Daily Papers

Deep learning techniques are increasingly applied to scientific problems, where the precision of networks is crucial. Despite being deemed as universal function approximators, neural networks, in practice, struggle to reduce the prediction errors below O(10^{-5}) even with large network size and extended training iterations. To address this issue, we developed the multi-stage neural networks that divides the training process into different stages, with each stage using a new network that is optimized to fit the residue from the previous stage. Across successive stages, the residue magnitudes decreases substantially and follows an inverse power-law relationship with the residue frequencies. The multi-stage neural networks effectively mitigate the spectral biases associated with regular neural networks, enabling them to capture the high frequency feature of target functions. We demonstrate that the prediction error from the multi-stage training for both regression problems and physics-informed neural networks can nearly reach the machine-precision O(10^{-16}) of double-floating point within a finite number of iterations. Such levels of accuracy are rarely attainable using single neural networks alone.

The success of multi-head self-attentions (MSAs) for computer vision is now indisputable. However, little is known about how MSAs work. We present fundamental explanations to help better understand the nature of MSAs. In particular, we demonstrate the following properties of MSAs and Vision Transformers (ViTs): (1) MSAs improve not only accuracy but also generalization by flattening the loss landscapes. Such improvement is primarily attributable to their data specificity, not long-range dependency. On the other hand, ViTs suffer from non-convex losses. Large datasets and loss landscape smoothing methods alleviate this problem; (2) MSAs and Convs exhibit opposite behaviors. For example, MSAs are low-pass filters, but Convs are high-pass filters. Therefore, MSAs and Convs are complementary; (3) Multi-stage neural networks behave like a series connection of small individual models. In addition, MSAs at the end of a stage play a key role in prediction. Based on these insights, we propose AlterNet, a model in which Conv blocks at the end of a stage are replaced with MSA blocks. AlterNet outperforms CNNs not only in large data regimes but also in small data regimes. The code is available at https://github.com/xxxnell/how-do-vits-work.

The advent of deep neural networks pre-trained via language modeling tasks has spurred a number of successful applications in natural language processing. This work explores one such popular model, BERT, in the context of document ranking. We propose two variants, called monoBERT and duoBERT, that formulate the ranking problem as pointwise and pairwise classification, respectively. These two models are arranged in a multi-stage ranking architecture to form an end-to-end search system. One major advantage of this design is the ability to trade off quality against latency by controlling the admission of candidates into each pipeline stage, and by doing so, we are able to find operating points that offer a good balance between these two competing metrics. On two large-scale datasets, MS MARCO and TREC CAR, experiments show that our model produces results that are either at or comparable to the state of the art. Ablation studies show the contributions of each component and characterize the latency/quality tradeoff space.

Vision Transformer (ViT) demonstrates that Transformer for natural language processing can be applied to computer vision tasks and result in comparable performance to convolutional neural networks (CNN), which have been studied and adopted in computer vision for years. This naturally raises the question of how the performance of ViT can be advanced with design techniques of CNN. To this end, we propose to incorporate two techniques and present ViT-ResNAS, an efficient multi-stage ViT architecture designed with neural architecture search (NAS). First, we propose residual spatial reduction to decrease sequence lengths for deeper layers and utilize a multi-stage architecture. When reducing lengths, we add skip connections to improve performance and stabilize training deeper networks. Second, we propose weight-sharing NAS with multi-architectural sampling. We enlarge a network and utilize its sub-networks to define a search space. A super-network covering all sub-networks is then trained for fast evaluation of their performance. To efficiently train the super-network, we propose to sample and train multiple sub-networks with one forward-backward pass. After that, evolutionary search is performed to discover high-performance network architectures. Experiments on ImageNet demonstrate that ViT-ResNAS achieves better accuracy-MACs and accuracy-throughput trade-offs than the original DeiT and other strong baselines of ViT. Code is available at https://github.com/yilunliao/vit-search.

Improving diesel engine efficiency, reducing emissions, and enabling robust health monitoring have been critical research topics in engine modelling. While recent advancements in the use of neural networks for system monitoring have shown promising results, such methods often focus on component-level analysis, lack generalizability, and physical interpretability. In this study, we propose a novel hybrid framework that combines physics-informed neural networks (PINNs) with deep operator networks (DeepONet) to enable accurate and computationally efficient parameter identification in mean-value diesel engine models. Our method leverages physics-based system knowledge in combination with data-driven training of neural networks to enhance model applicability. Incorporating offline-trained DeepONets to predict actuator dynamics significantly lowers the online computation cost when compared to the existing PINN framework. To address the re-training burden typical of PINNs under varying input conditions, we propose two transfer learning (TL) strategies: (i) a multi-stage TL scheme offering better runtime efficiency than full online training of the PINN model and (ii) a few-shot TL scheme that freezes a shared multi-head network body and computes physics-based derivatives required for model training outside the training loop. The second strategy offers a computationally inexpensive and physics-based approach for predicting engine dynamics and parameter identification, offering computational efficiency over the existing PINN framework. Compared to existing health monitoring methods, our framework combines the interpretability of physics-based models with the flexibility of deep learning, offering substantial gains in generalization, accuracy, and deployment efficiency for diesel engine diagnostics.

When enhancing low-light images, many deep learning algorithms are based on the Retinex theory. However, the Retinex model does not consider the corruptions hidden in the dark or introduced by the light-up process. Besides, these methods usually require a tedious multi-stage training pipeline and rely on convolutional neural networks, showing limitations in capturing long-range dependencies. In this paper, we formulate a simple yet principled One-stage Retinex-based Framework (ORF). ORF first estimates the illumination information to light up the low-light image and then restores the corruption to produce the enhanced image. We design an Illumination-Guided Transformer (IGT) that utilizes illumination representations to direct the modeling of non-local interactions of regions with different lighting conditions. By plugging IGT into ORF, we obtain our algorithm, Retinexformer. Comprehensive quantitative and qualitative experiments demonstrate that our Retinexformer significantly outperforms state-of-the-art methods on thirteen benchmarks. The user study and application on low-light object detection also reveal the latent practical values of our method. Code, models, and results are available at https://github.com/caiyuanhao1998/Retinexformer

Motivated by the recent progresses on machine learning-based models that learn artistic styles, in this paper we focus on the problem of poem generation. This is a challenging task in which the machine has to capture the linguistic features that strongly characterize a certain poet, as well as the semantics of the poet's production, that are influenced by his personal experiences and by his literary background. Since poetry is constructed using syllables, that regulate the form and structure of poems, we propose a syllable-based neural language model, and we describe a poem generation mechanism that is designed around the poet style, automatically selecting the most representative generations. The poetic work of a target author is usually not enough to successfully train modern deep neural networks, so we propose a multi-stage procedure that exploits non-poetic works of the same author, and also other publicly available huge corpora to learn syntax and grammar of the target language. We focus on the Italian poet Dante Alighieri, widely famous for his Divine Comedy. A quantitative and qualitative experimental analysis of the generated tercets is reported, where we included expert judges with strong background in humanistic studies. The generated tercets are frequently considered to be real by a generic population of judges, with relative difference of 56.25\% with respect to the ones really authored by Dante, and expert judges perceived Dante's style and rhymes in the generated text.

As emotions play a central role in human communication, automatic emotion recognition has attracted increasing attention in the last two decades. While multimodal systems enjoy high performances on lab-controlled data, they are still far from providing ecological validity on non-lab-controlled, namely 'in-the-wild' data. This work investigates audiovisual deep learning approaches for emotion recognition in-the-wild problem. We particularly explore the effectiveness of architectures based on fine-tuned Convolutional Neural Networks (CNN) and Public Dimensional Emotion Model (PDEM), for video and audio modality, respectively. We compare alternative temporal modeling and fusion strategies using the embeddings from these multi-stage trained modality-specific Deep Neural Networks (DNN). We report results on the AffWild2 dataset under Affective Behavior Analysis in-the-Wild 2024 (ABAW'24) challenge protocol.

Molecular docking is a key computational tool utilized to predict the binding conformations of small molecules to protein targets, which is fundamental in the design of novel drugs. Despite recent advancements in geometric deep learning-based approaches leading to improvements in blind docking efficiency, these methods have encountered notable challenges, such as limited generalization performance on unseen proteins, the inability to concurrently address the settings of blind docking and site-specific docking, and the frequent occurrence of physical implausibilities such as inter-molecular steric clash. In this study, we introduce DeltaDock, a robust and versatile framework designed for efficient molecular docking to overcome these challenges. DeltaDock operates in a two-step process: rapid initial complex structures sampling followed by multi-scale iterative refinement of the initial structures. In the initial stage, to sample accurate structures with high efficiency, we develop a ligand-dependent binding site prediction model founded on large protein models and graph neural networks. This model is then paired with GPU-accelerated sampling algorithms. The sampled structures are updated using a multi-scale iterative refinement module that captures both protein-ligand atom-atom interactions and residue-atom interactions in the following stage. Distinct from previous geometric deep learning methods that are conditioned on the blind docking setting, DeltaDock demonstrates superior performance in both blind docking and site-specific docking settings. Comprehensive experimental results reveal that DeltaDock consistently surpasses baseline methods in terms of docking accuracy. Furthermore, it displays remarkable generalization capabilities and proficiency for predicting physically valid structures, thereby attesting to its robustness and reliability in various scenarios.

In this paper, we present a new MTL framework that searches for structures optimized for multiple tasks with diverse graph topologies and shares features among tasks. We design a restricted DAG-based central network with read-in/read-out layers to build topologically diverse task-adaptive structures while limiting search space and time. We search for a single optimized network that serves as multiple task adaptive sub-networks using our three-stage training process. To make the network compact and discretized, we propose a flow-based reduction algorithm and a squeeze loss used in the training process. We evaluate our optimized network on various public MTL datasets and show ours achieves state-of-the-art performance. An extensive ablation study experimentally validates the effectiveness of the sub-module and schemes in our framework.

Based on the WASSA 2022 Shared Task on Empathy Detection and Emotion Classification, we predict the level of empathic concern and personal distress displayed in essays. For the first stage of this project we implemented a Feed-Forward Neural Network using sentence-level embeddings as features. We experimented with four different embedding models for generating the inputs to the neural network. The subsequent stage builds upon the previous work and we have implemented three types of revisions. The first revision focuses on the enhancements to the model architecture and the training approach. The second revision focuses on handling class imbalance using stratified data sampling. The third revision focuses on leveraging lexical resources, where we apply four different resources to enrich the features associated with the dataset. During the final stage of this project, we have created the final end-to-end system for the primary task using an ensemble of models to revise primary task performance. Additionally, as part of the final stage, these approaches have been adapted to the WASSA 2023 Shared Task on Empathy Emotion and Personality Detection in Interactions, in which the empathic concern, emotion polarity, and emotion intensity in dyadic text conversations are predicted.

The multi-modal nature of many vision problems calls for neural network architectures that can perform multiple tasks concurrently. Typically, such architectures have been handcrafted in the literature. However, given the size and complexity of the problem, this manual architecture exploration likely exceeds human design abilities. In this paper, we propose a principled approach, rooted in differentiable neural architecture search, to automatically define branching (tree-like) structures in the encoding stage of a multi-task neural network. To allow flexibility within resource-constrained environments, we introduce a proxyless, resource-aware loss that dynamically controls the model size. Evaluations across a variety of dense prediction tasks show that our approach consistently finds high-performing branching structures within limited resource budgets.

The task of reconstructing detailed 3D human body models from images is interesting but challenging in computer vision due to the high freedom of human bodies. In order to tackle the problem, we propose a coarse-to-fine method to reconstruct a detailed 3D human body from multi-view images combining voxel super-resolution based on learning the implicit representation. Firstly, the coarse 3D models are estimated by learning an implicit representation based on multi-scale features which are extracted by multi-stage hourglass networks from the multi-view images. Then, taking the low resolution voxel grids which are generated by the coarse 3D models as input, the voxel super-resolution based on an implicit representation is learned through a multi-stage 3D convolutional neural network. Finally, the refined detailed 3D human body models can be produced by the voxel super-resolution which can preserve the details and reduce the false reconstruction of the coarse 3D models. Benefiting from the implicit representation, the training process in our method is memory efficient and the detailed 3D human body produced by our method from multi-view images is the continuous decision boundary with high-resolution geometry. In addition, the coarse-to-fine method based on voxel super-resolution can remove false reconstructions and preserve the appearance details in the final reconstruction, simultaneously. In the experiments, our method quantitatively and qualitatively achieves the competitive 3D human body reconstructions from images with various poses and shapes on both the real and synthetic datasets.

Purpose: Accurate segmentation of clinical target volumes (CTV) and organs-at-risk is crucial for optimizing gynecologic brachytherapy (GYN-BT) treatment planning. However, anatomical variability, low soft-tissue contrast in CT imaging, and limited annotated datasets pose significant challenges. This study presents GynBTNet, a novel multi-stage learning framework designed to enhance segmentation performance through self-supervised pretraining and hierarchical fine-tuning strategies. Methods: GynBTNet employs a three-stage training strategy: (1) self-supervised pretraining on large-scale CT datasets using sparse submanifold convolution to capture robust anatomical representations, (2) supervised fine-tuning on a comprehensive multi-organ segmentation dataset to refine feature extraction, and (3) task-specific fine-tuning on a dedicated GYN-BT dataset to optimize segmentation performance for clinical applications. The model was evaluated against state-of-the-art methods using the Dice Similarity Coefficient (DSC), 95th percentile Hausdorff Distance (HD95), and Average Surface Distance (ASD). Results: Our GynBTNet achieved superior segmentation performance, significantly outperforming nnU-Net and Swin-UNETR. Notably, it yielded a DSC of 0.837 +/- 0.068 for CTV, 0.940 +/- 0.052 for the bladder, 0.842 +/- 0.070 for the rectum, and 0.871 +/- 0.047 for the uterus, with reduced HD95 and ASD compared to baseline models. Self-supervised pretraining led to consistent performance improvements, particularly for structures with complex boundaries. However, segmentation of the sigmoid colon remained challenging, likely due to anatomical ambiguities and inter-patient variability. Statistical significance analysis confirmed that GynBTNet's improvements were significant compared to baseline models.

Structured pruning is one of the most popular approaches to effectively compress the heavy deep neural networks (DNNs) into compact sub-networks while retaining performance. The existing methods suffer from multi-stage procedures along with significant engineering efforts and human expertise. The Only-Train-Once (OTO) series has been recently proposed to resolve the many pain points by streamlining the workflow by automatically conducting (i) search space generation, (ii) structured sparse optimization, and (iii) sub-network construction. However, the built-in sparse optimizers in the OTO series, i.e., the Half-Space Projected Gradient (HSPG) family, have limitations that require hyper-parameter tuning and the implicit controls of the sparsity exploration, consequently requires intervening by human expertise. To address such limitations, we propose a Hybrid Efficient Structured Sparse Optimizer (HESSO). HESSO could automatically and efficiently train a DNN to produce a high-performing subnetwork. Meanwhile, it is almost tuning-free and enjoys user-friendly integration for generic training applications. To address another common issue of irreversible performance collapse observed in pruning DNNs, we further propose a Corrective Redundant Identification Cycle (CRIC) for reliably identifying indispensable structures. We numerically demonstrate the efficacy of HESSO and its enhanced version HESSO-CRIC on a variety of applications ranging from computer vision to natural language processing, including large language model. The numerical results showcase that HESSO can achieve competitive even superior performance to varying state-of-the-arts and support most DNN architectures. Meanwhile, CRIC can effectively prevent the irreversible performance collapse and further enhance the performance of HESSO on certain applications. The code is available at https://github.com/microsoft/only_train_once.

Compressing a predefined deep neural network (DNN) into a compact sub-network with competitive performance is crucial in the efficient machine learning realm. This topic spans various techniques, from structured pruning to neural architecture search, encompassing both pruning and erasing operators perspectives. Despite advancements, existing methods suffers from complex, multi-stage processes that demand substantial engineering and domain knowledge, limiting their broader applications. We introduce the third-generation Only-Train-Once (OTOv3), which first automatically trains and compresses a general DNN through pruning and erasing operations, creating a compact and competitive sub-network without the need of fine-tuning. OTOv3 simplifies and automates the training and compression process, minimizes the engineering efforts required from users. It offers key technological advancements: (i) automatic search space construction for general DNNs based on dependency graph analysis; (ii) Dual Half-Space Projected Gradient (DHSPG) and its enhanced version with hierarchical search (H2SPG) to reliably solve (hierarchical) structured sparsity problems and ensure sub-network validity; and (iii) automated sub-network construction using solutions from DHSPG/H2SPG and dependency graphs. Our empirical results demonstrate the efficacy of OTOv3 across various benchmarks in structured pruning and neural architecture search. OTOv3 produces sub-networks that match or exceed the state-of-the-arts. The source code will be available at https://github.com/tianyic/only_train_once.

Transformers are considered conceptually different compared to the previous generation of state-of-the-art NLP models - recurrent neural networks (RNNs). In this work, we demonstrate that decoder-only transformers can in fact be conceptualized as infinite multi-state RNNs - an RNN variant with unlimited hidden state size. We further show that pretrained transformers can be converted into finite multi-state RNNs by fixing the size of their hidden state. We observe that several existing transformers cache compression techniques can be framed as such conversion policies, and introduce a novel policy, TOVA, which is simpler compared to these policies. Our experiments with several long range tasks indicate that TOVA outperforms all other baseline policies, while being nearly on par with the full (infinite) model, and using in some cases only 1{8} of the original cache size. Our results indicate that transformer decoder LLMs often behave in practice as RNNs. They also lay out the option of mitigating one of their most painful computational bottlenecks - the size of their cache memory. We publicly release our code at https://github.com/schwartz-lab-NLP/TOVA.

Structured pruning and quantization are fundamental techniques used to reduce the size of deep neural networks (DNNs) and typically are applied independently. Applying these techniques jointly via co-optimization has the potential to produce smaller, high-quality models. However, existing joint schemes are not widely used because of (1) engineering difficulties (complicated multi-stage processes), (2) black-box optimization (extensive hyperparameter tuning to control the overall compression), and (3) insufficient architecture generalization. To address these limitations, we present the framework GETA, which automatically and efficiently performs joint structured pruning and quantization-aware training on any DNNs. GETA introduces three key innovations: (i) a quantization-aware dependency graph (QADG) that constructs a pruning search space for generic quantization-aware DNN, (ii) a partially projected stochastic gradient method that guarantees layerwise bit constraints are satisfied, and (iii) a new joint learning strategy that incorporates interpretable relationships between pruning and quantization. We present numerical experiments on both convolutional neural networks and transformer architectures that show that our approach achieves competitive (often superior) performance compared to existing joint pruning and quantization methods.

In this paper, we propose the problem of collaborative perception, where robots can combine their local observations with those of neighboring agents in a learnable way to improve accuracy on a perception task. Unlike existing work in robotics and multi-agent reinforcement learning, we formulate the problem as one where learned information must be shared across a set of agents in a bandwidth-sensitive manner to optimize for scene understanding tasks such as semantic segmentation. Inspired by networking communication protocols, we propose a multi-stage handshake communication mechanism where the neural network can learn to compress relevant information needed for each stage. Specifically, a target agent with degraded sensor data sends a compressed request, the other agents respond with matching scores, and the target agent determines who to connect with (i.e., receive information from). We additionally develop the AirSim-CP dataset and metrics based on the AirSim simulator where a group of aerial robots perceive diverse landscapes, such as roads, grasslands, buildings, etc. We show that for the semantic segmentation task, our handshake communication method significantly improves accuracy by approximately 20% over decentralized baselines, and is comparable to centralized ones using a quarter of the bandwidth.

Vision Transformers (ViTs) have revolutionized computer vision by leveraging self-attention to model long-range dependencies. However, ViTs face challenges such as high computational costs due to the quadratic scaling of self-attention and the requirement of a large amount of training data. To address these limitations, we propose the Efficient Convolutional Vision Transformer (ECViT), a hybrid architecture that effectively combines the strengths of CNNs and Transformers. ECViT introduces inductive biases such as locality and translation invariance, inherent to Convolutional Neural Networks (CNNs) into the Transformer framework by extracting patches from low-level features and enhancing the encoder with convolutional operations. Additionally, it incorporates local-attention and a pyramid structure to enable efficient multi-scale feature extraction and representation. Experimental results demonstrate that ECViT achieves an optimal balance between performance and efficiency, outperforming state-of-the-art models on various image classification tasks while maintaining low computational and storage requirements. ECViT offers an ideal solution for applications that prioritize high efficiency without compromising performance.

Traditional methods of computer vision and machine learning cannot match human performance on tasks such as the recognition of handwritten digits or traffic signs. Our biologically plausible deep artificial neural network architectures can. Small (often minimal) receptive fields of convolutional winner-take-all neurons yield large network depth, resulting in roughly as many sparsely connected neural layers as found in mammals between retina and visual cortex. Only winner neurons are trained. Several deep neural columns become experts on inputs preprocessed in different ways; their predictions are averaged. Graphics cards allow for fast training. On the very competitive MNIST handwriting benchmark, our method is the first to achieve near-human performance. On a traffic sign recognition benchmark it outperforms humans by a factor of two. We also improve the state-of-the-art on a plethora of common image classification benchmarks.

Advancement in finite element methods have become essential in various disciplines, and in particular for Computational Fluid Dynamics (CFD), driving research efforts for improved precision and efficiency. While Convolutional Neural Networks (CNNs) have found success in CFD by mapping meshes into images, recent attention has turned to leveraging Graph Neural Networks (GNNs) for direct mesh processing. This paper introduces a novel model merging Self-Attention with Message Passing in GNNs, achieving a 15\% reduction in RMSE on the well known flow past a cylinder benchmark. Furthermore, a dynamic mesh pruning technique based on Self-Attention is proposed, that leads to a robust GNN-based multigrid approach, also reducing RMSE by 15\%. Additionally, a new self-supervised training method based on BERT is presented, resulting in a 25\% RMSE reduction. The paper includes an ablation study and outperforms state-of-the-art models on several challenging datasets, promising advancements similar to those recently achieved in natural language and image processing. Finally, the paper introduces a dataset with meshes larger than existing ones by at least an order of magnitude. Code and Datasets will be released at https://github.com/DonsetPG/multigrid-gnn.

Extent of resection after surgery is one of the main prognostic factors for patients diagnosed with glioblastoma. To achieve this, accurate segmentation and classification of residual tumor from post-operative MR images is essential. The current standard method for estimating it is subject to high inter- and intra-rater variability, and an automated method for segmentation of residual tumor in early post-operative MRI could lead to a more accurate estimation of extent of resection. In this study, two state-of-the-art neural network architectures for pre-operative segmentation were trained for the task. The models were extensively validated on a multicenter dataset with nearly 1000 patients, from 12 hospitals in Europe and the United States. The best performance achieved was a 61\% Dice score, and the best classification performance was about 80\% balanced accuracy, with a demonstrated ability to generalize across hospitals. In addition, the segmentation performance of the best models was on par with human expert raters. The predicted segmentations can be used to accurately classify the patients into those with residual tumor, and those with gross total resection.

There is a recent surge in the development of spatio-temporal forecasting models in the transportation domain. Long-range traffic forecasting, however, remains a challenging task due to the intricate and extensive spatio-temporal correlations observed in traffic networks. Current works primarily rely on road networks with graph structures and learn representations using graph neural networks (GNNs), but this approach suffers from over-smoothing problem in deep architectures. To tackle this problem, recent methods introduced the combination of GNNs with residual connections or neural ordinary differential equations (ODE). However, current graph ODE models face two key limitations in feature extraction: (1) they lean towards global temporal patterns, overlooking local patterns that are important for unexpected events; and (2) they lack dynamic semantic edges in their architectural design. In this paper, we propose a novel architecture called Graph-based Multi-ODE Neural Networks (GRAM-ODE) which is designed with multiple connective ODE-GNN modules to learn better representations by capturing different views of complex local and global dynamic spatio-temporal dependencies. We also add some techniques like shared weights and divergence constraints into the intermediate layers of distinct ODE-GNN modules to further improve their communication towards the forecasting task. Our extensive set of experiments conducted on six real-world datasets demonstrate the superior performance of GRAM-ODE compared with state-of-the-art baselines as well as the contribution of different components to the overall performance. The code is available at https://github.com/zbliu98/GRAM-ODE

Understanding where people go after visiting one business is crucial for urban planning, retail analytics, and location-based services. However, predicting these co-visitation patterns across millions of venues remains challenging due to extreme data sparsity and the complex interplay between spatial proximity and business relationships. Traditional approaches using only geographic distance fail to capture why coffee shops attract different customer flows than fine dining restaurants, even when co-located. We introduce NAICS-aware GraphSAGE, a novel graph neural network that integrates business taxonomy knowledge through learnable embeddings to predict population-scale co-visitation patterns. Our key insight is that business semantics, captured through detailed industry codes, provide crucial signals that pure spatial models cannot explain. The approach scales to massive datasets (4.2 billion potential venue pairs) through efficient state-wise decomposition while combining spatial, temporal, and socioeconomic features in an end-to-end framework. Evaluated on our POI-Graph dataset comprising 94.9 million co-visitation records across 92,486 brands and 48 US states, our method achieves significant improvements over state-of-the-art baselines: the R-squared value increases from 0.243 to 0.625 (a 157 percent improvement), with strong gains in ranking quality (32 percent improvement in NDCG at 10).

Learning to represent free text is a core task in many clinical machine learning (ML) applications, as clinical text contains observations and plans not otherwise available for inference. State-of-the-art methods use large language models developed with immense computational resources and training data; however, applying these models is challenging because of the highly varying syntax and vocabulary in clinical free text. Structured information such as International Classification of Disease (ICD) codes often succinctly abstracts the most important facts of a clinical encounter and yields good performance, but is often not as available as clinical text in real-world scenarios. We propose a multi-view learning framework that jointly learns from codes and text to combine the availability and forward-looking nature of text and better performance of ICD codes. The learned text embeddings can be used as inputs to predictive algorithms independent of the ICD codes during inference. Our approach uses a Graph Neural Network (GNN) to process ICD codes, and Bi-LSTM to process text. We apply Deep Canonical Correlation Analysis (DCCA) to enforce the two views to learn a similar representation of each patient. In experiments using planned surgical procedure text, our model outperforms BERT models fine-tuned to clinical data, and in experiments using diverse text in MIMIC-III, our model is competitive to a fine-tuned BERT at a tiny fraction of its computational effort.

In this paper, we propose a generative multi-column network for image inpainting. This network synthesizes different image components in a parallel manner within one stage. To better characterize global structures, we design a confidence-driven reconstruction loss while an implicit diversified MRF regularization is adopted to enhance local details. The multi-column network combined with the reconstruction and MRF loss propagates local and global information derived from context to the target inpainting regions. Extensive experiments on challenging street view, face, natural objects and scenes manifest that our method produces visual compelling results even without previously common post-processing.

Physics-informed neural networks (PINNs) are emerging as popular mesh-free solvers for partial differential equations (PDEs). Recent extensions decompose the domain, applying different PINNs to solve the equation in each subdomain and aligning the solution at the interface of the subdomains. Hence, they can further alleviate the problem complexity, reduce the computational cost, and allow parallelization. However, the performance of the multi-domain PINNs is sensitive to the choice of the interface conditions for solution alignment. While quite a few conditions have been proposed, there is no suggestion about how to select the conditions according to specific problems. To address this gap, we propose META Learning of Interface Conditions (METALIC), a simple, efficient yet powerful approach to dynamically determine the optimal interface conditions for solving a family of parametric PDEs. Specifically, we develop two contextual multi-arm bandit models. The first one applies to the entire training procedure, and online updates a Gaussian process (GP) reward surrogate that given the PDE parameters and interface conditions predicts the solution error. The second one partitions the training into two stages, one is the stochastic phase and the other deterministic phase; we update a GP surrogate for each phase to enable different condition selections at the two stages so as to further bolster the flexibility and performance. We have shown the advantage of METALIC on four bench-mark PDE families.

In this paper, we propose two modified neural networks based on dual path multi-scale fusion networks (SFANet) and SegNet for accurate and efficient crowd counting. Inspired by SFANet, the first model, which is named M-SFANet, is attached with atrous spatial pyramid pooling (ASPP) and context-aware module (CAN). The encoder of M-SFANet is enhanced with ASPP containing parallel atrous convolutional layers with different sampling rates and hence able to extract multi-scale features of the target object and incorporate larger context. To further deal with scale variation throughout an input image, we leverage the CAN module which adaptively encodes the scales of the contextual information. The combination yields an effective model for counting in both dense and sparse crowd scenes. Based on the SFANet decoder structure, M-SFANet's decoder has dual paths, for density map and attention map generation. The second model is called M-SegNet, which is produced by replacing the bilinear upsampling in SFANet with max unpooling that is used in SegNet. This change provides a faster model while providing competitive counting performance. Designed for high-speed surveillance applications, M-SegNet has no additional multi-scale-aware module in order to not increase the complexity. Both models are encoder-decoder based architectures and are end-to-end trainable. We conduct extensive experiments on five crowd counting datasets and one vehicle counting dataset to show that these modifications yield algorithms that could improve state-of-the-art crowd counting methods. Codes are available at https://github.com/Pongpisit-Thanasutives/Variations-of-SFANet-for-Crowd-Counting.

Recognizing arbitrary multi-character text in unconstrained natural photographs is a hard problem. In this paper, we address an equally hard sub-problem in this domain viz. recognizing arbitrary multi-digit numbers from Street View imagery. Traditional approaches to solve this problem typically separate out the localization, segmentation, and recognition steps. In this paper we propose a unified approach that integrates these three steps via the use of a deep convolutional neural network that operates directly on the image pixels. We employ the DistBelief implementation of deep neural networks in order to train large, distributed neural networks on high quality images. We find that the performance of this approach increases with the depth of the convolutional network, with the best performance occurring in the deepest architecture we trained, with eleven hidden layers. We evaluate this approach on the publicly available SVHN dataset and achieve over 96% accuracy in recognizing complete street numbers. We show that on a per-digit recognition task, we improve upon the state-of-the-art, achieving 97.84% accuracy. We also evaluate this approach on an even more challenging dataset generated from Street View imagery containing several tens of millions of street number annotations and achieve over 90% accuracy. To further explore the applicability of the proposed system to broader text recognition tasks, we apply it to synthetic distorted text from reCAPTCHA. reCAPTCHA is one of the most secure reverse turing tests that uses distorted text to distinguish humans from bots. We report a 99.8% accuracy on the hardest category of reCAPTCHA. Our evaluations on both tasks indicate that at specific operating thresholds, the performance of the proposed system is comparable to, and in some cases exceeds, that of human operators.

This paper presents a novel joint neural networks approach to address the challenging one-shot object recognition and detection tasks. Inspired by Siamese neural networks and state-of-art multi-box detection approaches, the joint neural networks are able to perform object recognition and detection for categories that remain unseen during the training process. Following the one-shot object recognition/detection constraints, the training and testing datasets do not contain overlapped classes, in other words, all the test classes remain unseen during training. The joint networks architecture is able to effectively compare pairs of images via stacked convolutional layers of the query and target inputs, recognising patterns of the same input query category without relying on previous training around this category. The proposed approach achieves 61.41% accuracy for one-shot object recognition on the MiniImageNet dataset and 47.1% mAP for one-shot object detection when trained on the COCO dataset and tested using the Pascal VOC dataset. Code available at https://github.com/cjvargasc/JNN recog and https://github.com/cjvargasc/JNN detection/

Recent directions in automatic speech recognition (ASR) research have shown that applying deep learning models from image recognition challenges in computer vision is beneficial. As automatic music transcription (AMT) is superficially similar to ASR, in the sense that methods often rely on transforming spectrograms to symbolic sequences of events (e.g. words or notes), deep learning should benefit AMT as well. In this work, we outline an online polyphonic pitch detection system that streams audio to MIDI by ConvLSTMs. Our system achieves state-of-the-art results on the 2007 MIREX multi-F0 development set, with an F-measure of 83\% on the bassoon, clarinet, flute, horn and oboe ensemble recording without requiring any musical language modelling or assumptions of instrument timbre.

Memory-based neural networks model temporal data by leveraging an ability to remember information for long periods. It is unclear, however, whether they also have an ability to perform complex relational reasoning with the information they remember. Here, we first confirm our intuitions that standard memory architectures may struggle at tasks that heavily involve an understanding of the ways in which entities are connected -- i.e., tasks involving relational reasoning. We then improve upon these deficits by using a new memory module -- a Relational Memory Core (RMC) -- which employs multi-head dot product attention to allow memories to interact. Finally, we test the RMC on a suite of tasks that may profit from more capable relational reasoning across sequential information, and show large gains in RL domains (e.g. Mini PacMan), program evaluation, and language modeling, achieving state-of-the-art results on the WikiText-103, Project Gutenberg, and GigaWord datasets.

Functional magnetic resonance imaging (fMRI) is an indispensable tool in modern neuroscience, providing a non-invasive window into whole-brain dynamics at millimeter-scale spatial resolution. However, fMRI is constrained by issues such as high operation costs and immobility. With the rapid advancements in cross-modality synthesis and brain decoding, the use of deep neural networks has emerged as a promising solution for inferring whole-brain, high-resolution fMRI features directly from electroencephalography (EEG), a more widely accessible and portable neuroimaging modality. Nonetheless, the complex projection from neural activity to fMRI hemodynamic responses and the spatial ambiguity of EEG pose substantial challenges both in modeling and interpretability. Relatively few studies to date have developed approaches for EEG-fMRI translation, and although they have made significant strides, the inference of fMRI signals in a given study has been limited to a small set of brain areas and to a single condition (i.e., either resting-state or a specific task). The capability to predict fMRI signals in other brain areas, as well as to generalize across conditions, remain critical gaps in the field. To tackle these challenges, we introduce a novel and generalizable framework: NeuroBOLT, i.e., Neuro-to-BOLD Transformer, which leverages multi-dimensional representation learning from temporal, spatial, and spectral domains to translate raw EEG data to the corresponding fMRI activity signals across the brain. Our experiments demonstrate that NeuroBOLT effectively reconstructs unseen resting-state fMRI signals from primary sensory, high-level cognitive areas, and deep subcortical brain regions, achieving state-of-the-art accuracy with the potential to generalize across varying conditions and sites, which significantly advances the integration of these two modalities.

Accurately predicting the criticalness of ICU patients (such as in-ICU mortality risk) is vital for early intervention in critical care. However, conventional models often treat each patient in isolation and struggle to exploit the relational structure in Electronic Health Records (EHR). We propose a Similarity-Based Self-Construct Graph Model (SBSCGM) that dynamically builds a patient similarity graph from multi-modal EHR data, and a HybridGraphMedGNN architecture that operates on this graph to predict patient mortality and a continuous criticalness score. SBSCGM uses a hybrid similarity measure (combining feature-based and structural similarities) to connect patients with analogous clinical profiles in real-time. The HybridGraphMedGNN integrates Graph Convolutional Network (GCN), GraphSAGE, and Graph Attention Network (GAT) layers to learn robust patient representations, leveraging both local and global graph patterns. In experiments on 6,000 ICU stays from the MIMIC-III dataset, our model achieves state-of-the-art performance (AUC-ROC 0.94) outperforming baseline classifiers and single-type GNN models. We also demonstrate improved precision/recall and show that the attention mechanism provides interpretable insights into model predictions. Our framework offers a scalable and interpretable solution for critical care risk prediction, with potential to support clinicians in real-world ICU deployment.

Developing computer vision-based rice phenotyping techniques is crucial for precision field management and accelerating breeding, thereby continuously advancing rice production. Among phenotyping tasks, distinguishing image components is a key prerequisite for characterizing plant growth and development at the organ scale, enabling deeper insights into eco-physiological processes. However, due to the fine structure of rice organs and complex illumination within the canopy, this task remains highly challenging, underscoring the need for a high-quality training dataset. Such datasets are scarce, both due to a lack of large, representative collections of rice field images and the time-intensive nature of annotation. To address this gap, we established the first comprehensive multi-class rice semantic segmentation dataset, RiceSEG. We gathered nearly 50,000 high-resolution, ground-based images from five major rice-growing countries (China, Japan, India, the Philippines, and Tanzania), encompassing over 6,000 genotypes across all growth stages. From these original images, 3,078 representative samples were selected and annotated with six classes (background, green vegetation, senescent vegetation, panicle, weeds, and duckweed) to form the RiceSEG dataset. Notably, the sub-dataset from China spans all major genotypes and rice-growing environments from the northeast to the south. Both state-of-the-art convolutional neural networks and transformer-based semantic segmentation models were used as baselines. While these models perform reasonably well in segmenting background and green vegetation, they face difficulties during the reproductive stage, when canopy structures are more complex and multiple classes are involved. These findings highlight the importance of our dataset for developing specialized segmentation models for rice and other crops.

Although deep neural networks hold the state-of-the-art in several remote sensing tasks, their black-box operation hinders the understanding of their decisions, concealing any bias and other shortcomings in datasets and model performance. To this end, we have applied explainable artificial intelligence (XAI) methods in remote sensing multi-label classification tasks towards producing human-interpretable explanations and improve transparency. In particular, we utilized and trained deep learning models with state-of-the-art performance in the benchmark BigEarthNet and SEN12MS datasets. Ten XAI methods were employed towards understanding and interpreting models' predictions, along with quantitative metrics to assess and compare their performance. Numerous experiments were performed to assess the overall performance of XAI methods for straightforward prediction cases, competing multiple labels, as well as misclassification cases. According to our findings, Occlusion, Grad-CAM and Lime were the most interpretable and reliable XAI methods. However, none delivers high-resolution outputs, while apart from Grad-CAM, both Lime and Occlusion are computationally expensive. We also highlight different aspects of XAI performance and elaborate with insights on black-box decisions in order to improve transparency, understand their behavior and reveal, as well, datasets' particularities.

We present a real-time approach for multi-person 3D motion capture at over 30 fps using a single RGB camera. It operates successfully in generic scenes which may contain occlusions by objects and by other people. Our method operates in subsequent stages. The first stage is a convolutional neural network (CNN) that estimates 2D and 3D pose features along with identity assignments for all visible joints of all individuals.We contribute a new architecture for this CNN, called SelecSLS Net, that uses novel selective long and short range skip connections to improve the information flow allowing for a drastically faster network without compromising accuracy. In the second stage, a fully connected neural network turns the possibly partial (on account of occlusion) 2Dpose and 3Dpose features for each subject into a complete 3Dpose estimate per individual. The third stage applies space-time skeletal model fitting to the predicted 2D and 3D pose per subject to further reconcile the 2D and 3D pose, and enforce temporal coherence. Our method returns the full skeletal pose in joint angles for each subject. This is a further key distinction from previous work that do not produce joint angle results of a coherent skeleton in real time for multi-person scenes. The proposed system runs on consumer hardware at a previously unseen speed of more than 30 fps given 512x320 images as input while achieving state-of-the-art accuracy, which we will demonstrate on a range of challenging real-world scenes.

Recent advances in Vision Transformers (ViTs) and State Space Models (SSMs) have challenged the dominance of Convolutional Neural Networks (CNNs) in computer vision. ViTs excel at capturing global context, and SSMs like Mamba offer linear complexity for long sequences, yet they do not capture fine-grained local features as effectively as CNNs. Conversely, CNNs possess strong inductive biases for local features but lack the global reasoning capabilities of transformers and Mamba. To bridge this gap, we introduce VCMamba, a novel vision backbone that integrates the strengths of CNNs and multi-directional Mamba SSMs. VCMamba employs a convolutional stem and a hierarchical structure with convolutional blocks in its early stages to extract rich local features. These convolutional blocks are then processed by later stages incorporating multi-directional Mamba blocks designed to efficiently model long-range dependencies and global context. This hybrid design allows for superior feature representation while maintaining linear complexity with respect to image resolution. We demonstrate VCMamba's effectiveness through extensive experiments on ImageNet-1K classification and ADE20K semantic segmentation. Our VCMamba-B achieves 82.6% top-1 accuracy on ImageNet-1K, surpassing PlainMamba-L3 by 0.3% with 37% fewer parameters, and outperforming Vision GNN-B by 0.3% with 64% fewer parameters. Furthermore, VCMamba-B obtains 47.1 mIoU on ADE20K, exceeding EfficientFormer-L7 by 2.0 mIoU while utilizing 62% fewer parameters. Code is available at https://github.com/Wertyuui345/VCMamba.

While early AutoML frameworks focused on optimizing traditional ML pipelines and their hyperparameters, a recent trend in AutoML is to focus on neural architecture search. In this paper, we introduce Auto-PyTorch, which brings the best of these two worlds together by jointly and robustly optimizing the architecture of networks and the training hyperparameters to enable fully automated deep learning (AutoDL). Auto-PyTorch achieves state-of-the-art performance on several tabular benchmarks by combining multi-fidelity optimization with portfolio construction for warmstarting and ensembling of deep neural networks (DNNs) and common baselines for tabular data. To thoroughly study our assumptions on how to design such an AutoDL system, we additionally introduce a new benchmark on learning curves for DNNs, dubbed LCBench, and run extensive ablation studies of the full Auto-PyTorch on typical AutoML benchmarks, eventually showing that Auto-PyTorch performs better than several state-of-the-art competitors on average.

Sleep is a complex physiological process evaluated through various modalities recording electrical brain, cardiac, and respiratory activities. We curate a large polysomnography dataset from over 14,000 participants comprising over 100,000 hours of multi-modal sleep recordings. Leveraging this extensive dataset, we developed SleepFM, the first multi-modal foundation model for sleep analysis. We show that a novel leave-one-out approach for contrastive learning significantly improves downstream task performance compared to representations from standard pairwise contrastive learning. A logistic regression model trained on SleepFM's learned embeddings outperforms an end-to-end trained convolutional neural network (CNN) on sleep stage classification (macro AUROC 0.88 vs 0.72 and macro AUPRC 0.72 vs 0.48) and sleep disordered breathing detection (AUROC 0.85 vs 0.69 and AUPRC 0.77 vs 0.61). Notably, the learned embeddings achieve 48% top-1 average accuracy in retrieving the corresponding recording clips of other modalities from 90,000 candidates. This work demonstrates the value of holistic multi-modal sleep modeling to fully capture the richness of sleep recordings. SleepFM is open source and available at https://github.com/rthapa84/sleepfm-codebase.

Speaker diarization systems are challenged by a trade-off between the temporal resolution and the fidelity of the speaker representation. By obtaining a superior temporal resolution with an enhanced accuracy, a multi-scale approach is a way to cope with such a trade-off. In this paper, we propose a more advanced multi-scale diarization system based on a multi-scale diarization decoder. There are two main contributions in this study that significantly improve the diarization performance. First, we use multi-scale clustering as an initialization to estimate the number of speakers and obtain the average speaker representation vector for each speaker and each scale. Next, we propose the use of 1-D convolutional neural networks that dynamically determine the importance of each scale at each time step. To handle a variable number of speakers and overlapping speech, the proposed system can estimate the number of existing speakers. Our proposed system achieves a state-of-art performance on the CALLHOME and AMI MixHeadset datasets, with 3.92% and 1.05% diarization error rates, respectively.

Accurate sleep stage classification is significant for sleep health assessment. In recent years, several machine-learning based sleep staging algorithms have been developed , and in particular, deep-learning based algorithms have achieved performance on par with human annotation. Despite improved performance, a limitation of most deep-learning based algorithms is their black-box behavior, which have limited their use in clinical settings. Here, we propose a cross-modal transformer, which is a transformer-based method for sleep stage classification. The proposed cross-modal transformer consists of a novel cross-modal transformer encoder architecture along with a multi-scale one-dimensional convolutional neural network for automatic representation learning. Our method outperforms the state-of-the-art methods and eliminates the black-box behavior of deep-learning models by utilizing the interpretability aspect of the attention modules. Furthermore, our method provides considerable reductions in the number of parameters and training time compared to the state-of-the-art methods. Our code is available at https://github.com/Jathurshan0330/Cross-Modal-Transformer. A demo of our work can be found at https://bit.ly/Cross_modal_transformer_demo.

Behavior of neural networks is irremediably determined by the specific loss and data used during training. However it is often desirable to tune the model at inference time based on external factors such as preferences of the user or dynamic characteristics of the data. This is especially important to balance the perception-distortion trade-off of ill-posed image-to-image translation tasks. In this work, we propose to optimize a parametric tunable convolutional layer, which includes a number of different kernels, using a parametric multi-loss, which includes an equal number of objectives. Our key insight is to use a shared set of parameters to dynamically interpolate both the objectives and the kernels. During training, these parameters are sampled at random to explicitly optimize all possible combinations of objectives and consequently disentangle their effect into the corresponding kernels. During inference, these parameters become interactive inputs of the model hence enabling reliable and consistent control over the model behavior. Extensive experimental results demonstrate that our tunable convolutions effectively work as a drop-in replacement for traditional convolutions in existing neural networks at virtually no extra computational cost, outperforming state-of-the-art control strategies in a wide range of applications; including image denoising, deblurring, super-resolution, and style transfer.

This paper deals with the problem of audio source separation. To handle the complex and ill-posed nature of the problems of audio source separation, the current state-of-the-art approaches employ deep neural networks to obtain instrumental spectra from a mixture. In this study, we propose a novel network architecture that extends the recently developed densely connected convolutional network (DenseNet), which has shown excellent results on image classification tasks. To deal with the specific problem of audio source separation, an up-sampling layer, block skip connection and band-dedicated dense blocks are incorporated on top of DenseNet. The proposed approach takes advantage of long contextual information and outperforms state-of-the-art results on SiSEC 2016 competition by a large margin in terms of signal-to-distortion ratio. Moreover, the proposed architecture requires significantly fewer parameters and considerably less training time compared with other methods.

The liquid state machine (LSM) combines low training complexity and biological plausibility, which has made it an attractive machine learning framework for edge and neuromorphic computing paradigms. Originally proposed as a model of brain computation, the LSM tunes its internal weights without backpropagation of gradients, which results in lower performance compared to multi-layer neural networks. Recent findings in neuroscience suggest that astrocytes, a long-neglected non-neuronal brain cell, modulate synaptic plasticity and brain dynamics, tuning brain networks to the vicinity of the computationally optimal critical phase transition between order and chaos. Inspired by this disruptive understanding of how brain networks self-tune, we propose the neuron-astrocyte liquid state machine (NALSM) that addresses under-performance through self-organized near-critical dynamics. Similar to its biological counterpart, the astrocyte model integrates neuronal activity and provides global feedback to spike-timing-dependent plasticity (STDP), which self-organizes NALSM dynamics around a critical branching factor that is associated with the edge-of-chaos. We demonstrate that NALSM achieves state-of-the-art accuracy versus comparable LSM methods, without the need for data-specific hand-tuning. With a top accuracy of 97.61% on MNIST, 97.51% on N-MNIST, and 85.84% on Fashion-MNIST, NALSM achieved comparable performance to current fully-connected multi-layer spiking neural networks trained via backpropagation. Our findings suggest that the further development of brain-inspired machine learning methods has the potential to reach the performance of deep learning, with the added benefits of supporting robust and energy-efficient neuromorphic computing on the edge.

To enable learning on edge devices with fast convergence and low memory, we present a novel backpropagation-free optimization algorithm dubbed Target Projection Stochastic Gradient Descent (tpSGD). tpSGD generalizes direct random target projection to work with arbitrary loss functions and extends target projection for training recurrent neural networks (RNNs) in addition to feedforward networks. tpSGD uses layer-wise stochastic gradient descent (SGD) and local targets generated via random projections of the labels to train the network layer-by-layer with only forward passes. tpSGD doesn't require retaining gradients during optimization, greatly reducing memory allocation compared to SGD backpropagation (BP) methods that require multiple instances of the entire neural network weights, input/output, and intermediate results. Our method performs comparably to BP gradient-descent within 5% accuracy on relatively shallow networks of fully connected layers, convolutional layers, and recurrent layers. tpSGD also outperforms other state-of-the-art gradient-free algorithms in shallow models consisting of multi-layer perceptrons, convolutional neural networks (CNNs), and RNNs with competitive accuracy and less memory and time. We evaluate the performance of tpSGD in training deep neural networks (e.g. VGG) and extend the approach to multi-layer RNNs. These experiments highlight new research directions related to optimized layer-based adaptor training for domain-shift using tpSGD at the edge.

With the rapid development of technology, automobiles have become an essential asset in our day-to-day lives. One of the more important researches is Traffic Signs Recognition (TSR) systems. This paper describes an approach for efficiently detecting and recognizing traffic signs in real-time, taking into account the various weather, illumination and visibility challenges through the means of transfer learning. We tackle the traffic sign detection problem using the state-of-the-art of multi-object detection systems such as Faster Recurrent Convolutional Neural Networks (F-RCNN) and Single Shot Multi- Box Detector (SSD) combined with various feature extractors such as MobileNet v1 and Inception v2, and also Tiny-YOLOv2. However, the focus of this paper is going to be F-RCNN Inception v2 and Tiny YOLO v2 as they achieved the best results. The aforementioned models were fine-tuned on the German Traffic Signs Detection Benchmark (GTSDB) dataset. These models were tested on the host PC as well as Raspberry Pi 3 Model B+ and the TASS PreScan simulation. We will discuss the results of all the models in the conclusion section.

Recent advances in deep learning accelerated the development of content-based automatic music tagging systems. Music information retrieval (MIR) researchers proposed various architecture designs, mainly based on convolutional neural networks (CNNs), that achieve state-of-the-art results in this multi-label binary classification task. However, due to the differences in experimental setups followed by researchers, such as using different dataset splits and software versions for evaluation, it is difficult to compare the proposed architectures directly with each other. To facilitate further research, in this paper we conduct a consistent evaluation of different music tagging models on three datasets (MagnaTagATune, Million Song Dataset, and MTG-Jamendo) and provide reference results using common evaluation metrics (ROC-AUC and PR-AUC). Furthermore, all the models are evaluated with perturbed inputs to investigate the generalization capabilities concerning time stretch, pitch shift, dynamic range compression, and addition of white noise. For reproducibility, we provide the PyTorch implementations with the pre-trained models.

While 2D diffusion models generate realistic, high-detail images, 3D shape generation methods like Score Distillation Sampling (SDS) built on these 2D diffusion models produce cartoon-like, over-smoothed shapes. To help explain this discrepancy, we show that the image guidance used in Score Distillation can be understood as the velocity field of a 2D denoising generative process, up to the choice of a noise term. In particular, after a change of variables, SDS resembles a high-variance version of Denoising Diffusion Implicit Models (DDIM) with a differently-sampled noise term: SDS introduces noise i.i.d. randomly at each step, while DDIM infers it from the previous noise predictions. This excessive variance can lead to over-smoothing and unrealistic outputs. We show that a better noise approximation can be recovered by inverting DDIM in each SDS update step. This modification makes SDS's generative process for 2D images almost identical to DDIM. In 3D, it removes over-smoothing, preserves higher-frequency detail, and brings the generation quality closer to that of 2D samplers. Experimentally, our method achieves better or similar 3D generation quality compared to other state-of-the-art Score Distillation methods, all without training additional neural networks or multi-view supervision, and providing useful insights into relationship between 2D and 3D asset generation with diffusion models.

The advent of single-cell technology has significantly improved our understanding of cellular states and subpopulations in various tissues under normal and diseased conditions by employing data-driven approaches such as clustering and trajectory inference. However, these methods consider cells as independent data points of population distributions. With spatial transcriptomics, we can represent cellular organization, along with dynamic cell-cell interactions that lead to changes in cell state. Still, key computational advances are necessary to enable the data-driven learning of such complex interactive cellular dynamics. While agent-based modeling (ABM) provides a powerful framework, traditional approaches rely on handcrafted rules derived from domain knowledge rather than data-driven approaches. To address this, we introduce Spatio Temporal Agent-Based Graph Evolution Dynamics(STAGED) integrating ABM with deep learning to model intercellular communication, and its effect on the intracellular gene regulatory network. Using graph ODE networks (GDEs) with shared weights per cell type, our approach represents genes as vertices and interactions as directed edges, dynamically learning their strengths through a designed attention mechanism. Trained to match continuous trajectories of simulated as well as inferred trajectories from spatial transcriptomics data, the model captures both intercellular and intracellular interactions, enabling a more adaptive and accurate representation of cellular dynamics.

Computational RNA design tasks are often posed as inverse problems, where sequences are designed based on adopting a single desired secondary structure without considering 3D geometry and conformational diversity. We introduce gRNAde, a geometric RNA design pipeline operating on 3D RNA backbones to design sequences that explicitly account for structure and dynamics. Under the hood, gRNAde is a multi-state Graph Neural Network that generates candidate RNA sequences conditioned on one or more 3D backbone structures where the identities of the bases are unknown. On a single-state fixed backbone re-design benchmark of 14 RNA structures from the PDB identified by Das et al. [2010], gRNAde obtains higher native sequence recovery rates (56% on average) compared to Rosetta (45% on average), taking under a second to produce designs compared to the reported hours for Rosetta. We further demonstrate the utility of gRNAde on a new benchmark of multi-state design for structurally flexible RNAs, as well as zero-shot ranking of mutational fitness landscapes in a retrospective analysis of a recent ribozyme. Open source code: https://github.com/chaitjo/geometric-rna-design

Neural networks have enabled state-of-the-art approaches to achieve incredible results on computer vision tasks such as object detection. However, such success greatly relies on costly computation resources, which hinders people with cheap devices from appreciating the advanced technology. In this paper, we propose Cross Stage Partial Network (CSPNet) to mitigate the problem that previous works require heavy inference computations from the network architecture perspective. We attribute the problem to the duplicate gradient information within network optimization. The proposed networks respect the variability of the gradients by integrating feature maps from the beginning and the end of a network stage, which, in our experiments, reduces computations by 20% with equivalent or even superior accuracy on the ImageNet dataset, and significantly outperforms state-of-the-art approaches in terms of AP50 on the MS COCO object detection dataset. The CSPNet is easy to implement and general enough to cope with architectures based on ResNet, ResNeXt, and DenseNet. Source code is at https://github.com/WongKinYiu/CrossStagePartialNetworks.

Pre-trained language models (PLM), for example BERT or RoBERTa, mark the state-of-the-art for natural language understanding task when fine-tuned on labeled data. However, their large size poses challenges in deploying them for inference in real-world applications, due to significant GPU memory requirements and high inference latency. This paper explores neural architecture search (NAS) for structural pruning to find sub-parts of the fine-tuned network that optimally trade-off efficiency, for example in terms of model size or latency, and generalization performance. We also show how we can utilize more recently developed two-stage weight-sharing NAS approaches in this setting to accelerate the search process. Unlike traditional pruning methods with fixed thresholds, we propose to adopt a multi-objective approach that identifies the Pareto optimal set of sub-networks, allowing for a more flexible and automated compression process.

Transformer layers, which use an alternating pattern of multi-head attention and multi-layer perceptron (MLP) layers, provide an effective tool for a variety of machine learning problems. As the transformer layers use residual connections to avoid the problem of vanishing gradients, they can be viewed as the numerical integration of a differential equation. In this extended abstract, we build upon this connection and propose a modification of the internal architecture of a transformer layer. The proposed model places the multi-head attention sublayer and the MLP sublayer parallel to each other. Our experiments show that this simple modification improves the performance of transformer networks in multiple tasks. Moreover, for the image classification task, we show that using neural ODE solvers with a sophisticated integration scheme further improves performance.

We present Simplified Text-Attributed Graph Embeddings (STAGE), a straightforward yet effective method for enhancing node features in Graph Neural Network (GNN) models that encode Text-Attributed Graphs (TAGs). Our approach leverages Large-Language Models (LLMs) to generate embeddings for textual attributes. STAGE achieves competitive results on various node classification benchmarks while also maintaining a simplicity in implementation relative to current state-of-the-art (SoTA) techniques. We show that utilizing pre-trained LLMs as embedding generators provides robust features for ensemble GNN training, enabling pipelines that are simpler than current SoTA approaches which require multiple expensive training and prompting stages. We also implement diffusion-pattern GNNs in an effort to make this pipeline scalable to graphs beyond academic benchmarks.

Transformers are powerful sequence models, but require time and memory that grows quadratically with the sequence length. In this paper we introduce sparse factorizations of the attention matrix which reduce this to O(n n). We also introduce a) a variation on architecture and initialization to train deeper networks, b) the recomputation of attention matrices to save memory, and c) fast attention kernels for training. We call networks with these changes Sparse Transformers, and show they can model sequences tens of thousands of timesteps long using hundreds of layers. We use the same architecture to model images, audio, and text from raw bytes, setting a new state of the art for density modeling of Enwik8, CIFAR-10, and ImageNet-64. We generate unconditional samples that demonstrate global coherence and great diversity, and show it is possible in principle to use self-attention to model sequences of length one million or more.

We build a dual-way neural dictionary to retrieve words given definitions, and produce definitions for queried words. The model learns the two tasks simultaneously and handles unknown words via embeddings. It casts a word or a definition to the same representation space through a shared layer, then generates the other form in a multi-task fashion. Our method achieves promising automatic scores on previous benchmarks without extra resources. Human annotators prefer the model's outputs in both reference-less and reference-based evaluation, indicating its practicality. Analysis suggests that multiple objectives benefit learning.

Artificial neural nets can represent and classify many types of data but are often tailored to particular applications -- e.g., for "fair" or "hierarchical" classification. Once an architecture has been selected, it is often difficult for humans to adjust models for a new task; for example, a hierarchical classifier cannot be easily transformed into a fair classifier that shields a protected field. Our contribution in this work is a new neural network architecture, the concept subspace network (CSN), which generalizes existing specialized classifiers to produce a unified model capable of learning a spectrum of multi-concept relationships. We demonstrate that CSNs reproduce state-of-the-art results in fair classification when enforcing concept independence, may be transformed into hierarchical classifiers, or even reconcile fairness and hierarchy within a single classifier. The CSN is inspired by existing prototype-based classifiers that promote interpretability.

Neural Architecture Search (NAS) algorithms automate the task of finding optimal deep learning architectures given an initial search space of possible operations. Developing these search spaces is usually a manual affair with pre-optimized search spaces being more efficient, rather than searching from scratch. In this paper we present a new framework called Neural Architecture Type System (NeuralArTS) that categorizes the infinite set of network operations in a structured type system. We further demonstrate how NeuralArTS can be applied to convolutional layers and propose several future directions.

Blending multiple convolutional kernels is proved advantageous in neural architecture design. However, current two-stage neural architecture search methods are mainly limited to single-path search spaces. How to efficiently search models of multi-path structures remains a difficult problem. In this paper, we are motivated to train a one-shot multi-path supernet to accurately evaluate the candidate architectures. Specifically, we discover that in the studied search spaces, feature vectors summed from multiple paths are nearly multiples of those from a single path. Such disparity perturbs the supernet training and its ranking ability. Therefore, we propose a novel mechanism called Shadow Batch Normalization (SBN) to regularize the disparate feature statistics. Extensive experiments prove that SBNs are capable of stabilizing the optimization and improving ranking performance. We call our unified multi-path one-shot approach as MixPath, which generates a series of models that achieve state-of-the-art results on ImageNet.

This article proposes to auto-encode text at byte-level using convolutional networks with a recursive architecture. The motivation is to explore whether it is possible to have scalable and homogeneous text generation at byte-level in a non-sequential fashion through the simple task of auto-encoding. We show that non-sequential text generation from a fixed-length representation is not only possible, but also achieved much better auto-encoding results than recurrent networks. The proposed model is a multi-stage deep convolutional encoder-decoder framework using residual connections, containing up to 160 parameterized layers. Each encoder or decoder contains a shared group of modules that consists of either pooling or upsampling layers, making the network recursive in terms of abstraction levels in representation. Results for 6 large-scale paragraph datasets are reported, in 3 languages including Arabic, Chinese and English. Analyses are conducted to study several properties of the proposed model.

Deep neural networks have recently been shown to achieve highly competitive performance in many computer vision tasks due to their abilities of exploring in a much larger hypothesis space. However, since most deep architectures like stacked RNNs tend to suffer from the vanishing-gradient and overfitting problems, their effects are still understudied in many NLP tasks. Inspired by this, we propose a novel multi-layer RNN model called densely connected bidirectional long short-term memory (DC-Bi-LSTM) in this paper, which essentially represents each layer by the concatenation of its hidden state and all preceding layers' hidden states, followed by recursively passing each layer's representation to all subsequent layers. We evaluate our proposed model on five benchmark datasets of sentence classification. DC-Bi-LSTM with depth up to 20 can be successfully trained and obtain significant improvements over the traditional Bi-LSTM with the same or even less parameters. Moreover, our model has promising performance compared with the state-of-the-art approaches.

Recent advances show that Neural Architectural Search (NAS) method is able to find state-of-the-art image classification deep architectures. In this paper, we consider the one-shot NAS problem for resource constrained applications. This problem is of great interest because it is critical to choose different architectures according to task complexity when the resource is constrained. Previous techniques are either too slow for one-shot learning or does not take the resource constraint into consideration. In this paper, we propose the resource constrained differentiable architecture search (RC-DARTS) method to learn architectures that are significantly smaller and faster while achieving comparable accuracy. Specifically, we propose to formulate the RC-DARTS task as a constrained optimization problem by adding the resource constraint. An iterative projection method is proposed to solve the given constrained optimization problem. We also propose a multi-level search strategy to enable layers at different depths to adaptively learn different types of neural architectures. Through extensive experiments on the Cifar10 and ImageNet datasets, we show that the RC-DARTS method learns lightweight neural architectures which have smaller model size and lower computational complexity while achieving comparable or better performances than the state-of-the-art methods.

Neural architecture search (NAS) has shown great promise in designing state-of-the-art (SOTA) models that are both accurate and efficient. Recently, two-stage NAS, e.g. BigNAS, decouples the model training and searching process and achieves remarkable search efficiency and accuracy. Two-stage NAS requires sampling from the search space during training, which directly impacts the accuracy of the final searched models. While uniform sampling has been widely used for its simplicity, it is agnostic of the model performance Pareto front, which is the main focus in the search process, and thus, misses opportunities to further improve the model accuracy. In this work, we propose AttentiveNAS that focuses on improving the sampling strategy to achieve better performance Pareto. We also propose algorithms to efficiently and effectively identify the networks on the Pareto during training. Without extra re-training or post-processing, we can simultaneously obtain a large number of networks across a wide range of FLOPs. Our discovered model family, AttentiveNAS models, achieves top-1 accuracy from 77.3% to 80.7% on ImageNet, and outperforms SOTA models, including BigNAS and Once-for-All networks. We also achieve ImageNet accuracy of 80.1% with only 491 MFLOPs. Our training code and pretrained models are available at https://github.com/facebookresearch/AttentiveNAS.

This work presents an analysis of the effectiveness of using standard shallow feed-forward networks to mimic the behavior of the attention mechanism in the original Transformer model, a state-of-the-art architecture for sequence-to-sequence tasks. We substitute key elements of the attention mechanism in the Transformer with simple feed-forward networks, trained using the original components via knowledge distillation. Our experiments, conducted on the IWSLT2017 dataset, reveal the capacity of these "attentionless Transformers" to rival the performance of the original architecture. Through rigorous ablation studies, and experimenting with various replacement network types and sizes, we offer insights that support the viability of our approach. This not only sheds light on the adaptability of shallow feed-forward networks in emulating attention mechanisms but also underscores their potential to streamline complex architectures for sequence-to-sequence tasks.

Neural networks have become an increasingly popular tool for solving many real-world problems. They are a general framework for differentiable optimization which includes many other machine learning approaches as special cases. In this thesis we build a category-theoretic formalism around a class of neural networks exemplified by CycleGAN. CycleGAN is a collection of neural networks, closed under composition, whose inductive bias is increased by enforcing composition invariants, i.e. cycle-consistencies. Inspired by Functorial Data Migration, we specify the interconnection of these networks using a categorical schema, and network instances as set-valued functors on this schema. We also frame neural network architectures, datasets, models, and a number of other concepts in a categorical setting and thus show a special class of functors, rather than functions, can be learned using gradient descent. We use the category-theoretic framework to conceive a novel neural network architecture whose goal is to learn the task of object insertion and object deletion in images with unpaired data. We test the architecture on three different datasets and obtain promising results.

Neural networks have achieved tremendous success in a large variety of applications. However, their memory footprint and computational demand can render them impractical in application settings with limited hardware or energy resources. In this work, we propose a novel algorithm to find efficient low-rank subnetworks. Remarkably, these subnetworks are determined and adapted already during the training phase and the overall time and memory resources required by both training and evaluating them are significantly reduced. The main idea is to restrict the weight matrices to a low-rank manifold and to update the low-rank factors rather than the full matrix during training. To derive training updates that are restricted to the prescribed manifold, we employ techniques from dynamic model order reduction for matrix differential equations. This allows us to provide approximation, stability, and descent guarantees. Moreover, our method automatically and dynamically adapts the ranks during training to achieve the desired approximation accuracy. The efficiency of the proposed method is demonstrated through a variety of numerical experiments on fully-connected and convolutional networks.

Recent one-shot Neural Architecture Search algorithms rely on training a hardware-agnostic super-network tailored to a specific task and then extracting efficient sub-networks for different hardware platforms. Popular approaches separate the training of super-networks from the search for sub-networks, often employing predictors to alleviate the computational overhead associated with search. Additionally, certain methods also incorporate the quantization policy within the search space. However, while the quantization policy search for convolutional neural networks is well studied, the extension of these methods to transformers and especially foundation models remains under-explored. In this paper, we demonstrate that by using multi-objective search algorithms paired with lightly trained predictors, we can efficiently search for both the sub-network architecture and the corresponding quantization policy and outperform their respective baselines across different performance objectives such as accuracy, model size, and latency. Specifically, we demonstrate that our approach performs well across both uni-modal (ViT and BERT) and multi-modal (BEiT-3) transformer-based architectures as well as convolutional architectures (ResNet). For certain networks, we demonstrate an improvement of up to 4.80x and 3.44x for latency and model size respectively, without degradation in accuracy compared to the fully quantized INT8 baselines.

Alzheimer's disease (AD) is a chronic neurodegenerative disorder and the leading cause of dementia, significantly impacting cost, mortality, and burden worldwide. The advent of high-throughput omics technologies, such as genomics, transcriptomics, proteomics, and epigenomics, has revolutionized the molecular understanding of AD. Conventional AI approaches typically require the completion of all omics data at the outset to achieve optimal AD diagnosis, which are inefficient and may be unnecessary. To reduce the clinical cost and improve the accuracy of AD diagnosis using multi-omics data, we propose a novel staged graph convolutional network with uncertainty quantification (SGUQ). SGUQ begins with mRNA and progressively incorporates DNA methylation and miRNA data only when necessary, reducing overall costs and exposure to harmful tests. Experimental results indicate that 46.23% of the samples can be reliably predicted using only single-modal omics data (mRNA), while an additional 16.04% of the samples can achieve reliable predictions when combining two omics data types (mRNA + DNA methylation). In addition, the proposed staged SGUQ achieved an accuracy of 0.858 on ROSMAP dataset, which outperformed existing methods significantly. The proposed SGUQ can not only be applied to AD diagnosis using multi-omics data but also has the potential for clinical decision-making using multi-viewed data. Our implementation is publicly available at https://github.com/chenzhao2023/multiomicsuncertainty.

Designing machine learning architectures for processing neural networks in their raw weight matrix form is a newly introduced research direction. Unfortunately, the unique symmetry structure of deep weight spaces makes this design very challenging. If successful, such architectures would be capable of performing a wide range of intriguing tasks, from adapting a pre-trained network to a new domain to editing objects represented as functions (INRs or NeRFs). As a first step towards this goal, we present here a novel network architecture for learning in deep weight spaces. It takes as input a concatenation of weights and biases of a pre-trained MLP and processes it using a composition of layers that are equivariant to the natural permutation symmetry of the MLP's weights: Changing the order of neurons in intermediate layers of the MLP does not affect the function it represents. We provide a full characterization of all affine equivariant and invariant layers for these symmetries and show how these layers can be implemented using three basic operations: pooling, broadcasting, and fully connected layers applied to the input in an appropriate manner. We demonstrate the effectiveness of our architecture and its advantages over natural baselines in a variety of learning tasks.

Designing neural networks typically relies on manual trial and error or a neural architecture search (NAS) followed by weight training. The former is time-consuming and labor-intensive, while the latter often discretizes architecture search and weight optimization. In this paper, we propose a fundamentally different approach that simultaneously optimizes both the architecture and the weights of a neural network. Our framework first trains a universal multi-scale autoencoder that embeds both architectural and parametric information into a continuous latent space, where functionally similar neural networks are mapped closer together. Given a dataset, we then randomly initialize a point in the embedding space and update it via gradient descent to obtain the optimal neural network, jointly optimizing its structure and weights. The optimization process incorporates sparsity and compactness penalties to promote efficient models. Experiments on synthetic regression tasks demonstrate that our method effectively discovers sparse and compact neural networks with strong performance.

We investigate methods for combining multiple self-supervised tasks--i.e., supervised tasks where data can be collected without manual labeling--in order to train a single visual representation. First, we provide an apples-to-apples comparison of four different self-supervised tasks using the very deep ResNet-101 architecture. We then combine tasks to jointly train a network. We also explore lasso regularization to encourage the network to factorize the information in its representation, and methods for "harmonizing" network inputs in order to learn a more unified representation. We evaluate all methods on ImageNet classification, PASCAL VOC detection, and NYU depth prediction. Our results show that deeper networks work better, and that combining tasks--even via a naive multi-head architecture--always improves performance. Our best joint network nearly matches the PASCAL performance of a model pre-trained on ImageNet classification, and matches the ImageNet network on NYU depth prediction.

Hypernetworks, neural networks that predict the parameters of another neural network, are powerful models that have been successfully used in diverse applications from image generation to multi-task learning. Unfortunately, existing hypernetworks are often challenging to train. Training typically converges far more slowly than for non-hypernetwork models, and the rate of convergence can be very sensitive to hyperparameter choices. In this work, we identify a fundamental and previously unidentified problem that contributes to the challenge of training hypernetworks: a magnitude proportionality between the inputs and outputs of the hypernetwork. We demonstrate both analytically and empirically that this can lead to unstable optimization, thereby slowing down convergence, and sometimes even preventing any learning. We present a simple solution to this problem using a revised hypernetwork formulation that we call Magnitude Invariant Parametrizations (MIP). We demonstrate the proposed solution on several hypernetwork tasks, where it consistently stabilizes training and achieves faster convergence. Furthermore, we perform a comprehensive ablation study including choices of activation function, normalization strategies, input dimensionality, and hypernetwork architecture; and find that MIP improves training in all scenarios. We provide easy-to-use code that can turn existing networks into MIP-based hypernetworks.

Neural architecture search (NAS) finds high performing networks for a given task. Yet the results of NAS are fairly prosaic; they did not e.g. create a shift from convolutional structures to transformers. This is not least because the search spaces in NAS often aren't diverse enough to include such transformations a priori. Instead, for NAS to provide greater potential for fundamental design shifts, we need a novel expressive search space design which is built from more fundamental operations. To this end, we introduce einspace, a search space based on a parameterised probabilistic context-free grammar. Our space is versatile, supporting architectures of various sizes and complexities, while also containing diverse network operations which allow it to model convolutions, attention components and more. It contains many existing competitive architectures, and provides flexibility for discovering new ones. Using this search space, we perform experiments to find novel architectures as well as improvements on existing ones on the diverse Unseen NAS datasets. We show that competitive architectures can be obtained by searching from scratch, and we consistently find large improvements when initialising the search with strong baselines. We believe that this work is an important advancement towards a transformative NAS paradigm where search space expressivity and strategic search initialisation play key roles.

Recent success in training deep neural networks have prompted active investigation into the features learned on their intermediate layers. Such research is difficult because it requires making sense of non-linear computations performed by millions of parameters, but valuable because it increases our ability to understand current models and create improved versions of them. In this paper we investigate the extent to which neural networks exhibit what we call convergent learning, which is when the representations learned by multiple nets converge to a set of features which are either individually similar between networks or where subsets of features span similar low-dimensional spaces. We propose a specific method of probing representations: training multiple networks and then comparing and contrasting their individual, learned representations at the level of neurons or groups of neurons. We begin research into this question using three techniques to approximately align different neural networks on a feature level: a bipartite matching approach that makes one-to-one assignments between neurons, a sparse prediction approach that finds one-to-many mappings, and a spectral clustering approach that finds many-to-many mappings. This initial investigation reveals a few previously unknown properties of neural networks, and we argue that future research into the question of convergent learning will yield many more. The insights described here include (1) that some features are learned reliably in multiple networks, yet other features are not consistently learned; (2) that units learn to span low-dimensional subspaces and, while these subspaces are common to multiple networks, the specific basis vectors learned are not; (3) that the representation codes show evidence of being a mix between a local code and slightly, but not fully, distributed codes across multiple units.

Differentiable architecture search (DARTS) is successfully applied in many vision tasks. However, directly using DARTS for Transformers is memory-intensive, which renders the search process infeasible. To this end, we propose a multi-split reversible network and combine it with DARTS. Specifically, we devise a backpropagation-with-reconstruction algorithm so that we only need to store the last layer's outputs. By relieving the memory burden for DARTS, it allows us to search with larger hidden size and more candidate operations. We evaluate the searched architecture on three sequence-to-sequence datasets, i.e., WMT'14 English-German, WMT'14 English-French, and WMT'14 English-Czech. Experimental results show that our network consistently outperforms standard Transformers across the tasks. Moreover, our method compares favorably with big-size Evolved Transformers, reducing search computation by an order of magnitude.

Multi-stage reasoning has emerged as an effective strategy for enhancing the reasoning capability of small language models by decomposing complex problems into sequential sub-stages. However, this comes at the cost of increased latency. We observe that existing adaptive acceleration techniques, such as layer skipping, struggle to balance efficiency and accuracy in this setting due to two key challenges: (1) stage-wise variation in skip sensitivity, and (2) the generation of redundant output tokens. To address these, we propose LiteStage, a latency-aware layer skipping framework for multi-stage reasoning. LiteStage combines a stage-wise offline search that allocates optimal layer budgets with an online confidence-based generation early exit to suppress unnecessary decoding. Experiments on three benchmarks, e.g., OBQA, CSQA, and StrategyQA, show that LiteStage achieves up to 1.70x speedup with less than 4.0% accuracy loss, outperforming prior training-free layer skipping methods.

Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of accounting for the symmetries and geometry of parameter spaces. However, those works developed architectures tailored to specific networks such as MLPs and CNNs without normalization layers, and generalizing such architectures to other types of networks can be challenging. In this work, we overcome these challenges by building new metanetworks - neural networks that take weights from other neural networks as input. Put simply, we carefully build graphs representing the input neural networks and process the graphs using graph neural networks. Our approach, Graph Metanetworks (GMNs), generalizes to neural architectures where competing methods struggle, such as multi-head attention layers, normalization layers, convolutional layers, ResNet blocks, and group-equivariant linear layers. We prove that GMNs are expressive and equivariant to parameter permutation symmetries that leave the input neural network functions unchanged. We validate the effectiveness of our method on several metanetwork tasks over diverse neural network architectures.

We introduce a neural network with a recurrent attention model over a possibly large external memory. The architecture is a form of Memory Network (Weston et al., 2015) but unlike the model in that work, it is trained end-to-end, and hence requires significantly less supervision during training, making it more generally applicable in realistic settings. It can also be seen as an extension of RNNsearch to the case where multiple computational steps (hops) are performed per output symbol. The flexibility of the model allows us to apply it to tasks as diverse as (synthetic) question answering and to language modeling. For the former our approach is competitive with Memory Networks, but with less supervision. For the latter, on the Penn TreeBank and Text8 datasets our approach demonstrates comparable performance to RNNs and LSTMs. In both cases we show that the key concept of multiple computational hops yields improved results.

We demonstrate and investigate the remarkable robustness of Large Language Models by deleting and swapping adjacent layers. We find that deleting and swapping interventions retain 72-95\% of the original model's prediction accuracy without fine-tuning, whereas models with more layers exhibit more robustness. Based on the results of the layer-wise intervention and further experiments, we hypothesize the existence of four universal stages of inference across eight different models: detokenization, feature engineering, prediction ensembling, and residual sharpening. The first stage integrates local information, lifting raw token representations into higher-level contextual representations. Next is the iterative refinement of task and entity-specific features. Then, the second half of the model begins with a phase transition, where hidden representations align more with the vocabulary space due to specialized model components. Finally, the last layer sharpens the following token distribution by eliminating obsolete features that add noise to the prediction.

The multilayer perceptron (MLP), a fundamental paradigm in current artificial intelligence, is widely applied in fields such as computer vision and natural language processing. However, the recently proposed Kolmogorov-Arnold Network (KAN), based on nonlinear additive connections, has been proven to achieve performance comparable to MLPs with significantly fewer parameters. Despite this potential, the use of a single activation function space results in reduced performance of KAN and related works across different tasks. To address this issue, we propose an activation space Selectable KAN (S-KAN). S-KAN employs an adaptive strategy to choose the possible activation mode for data at each feedforward KAN node. Our approach outperforms baseline methods in seven representative function fitting tasks and significantly surpasses MLP methods with the same level of parameters. Furthermore, we extend the structure of S-KAN and propose an activation space selectable Convolutional KAN (S-ConvKAN), which achieves leading results on four general image classification datasets. Our method mitigates the performance variability of the original KAN across different tasks and demonstrates through extensive experiments that feedforward KANs with selectable activations can achieve or even exceed the performance of MLP-based methods. This work contributes to the understanding of the data-centric design of new AI paradigms and provides a foundational reference for innovations in KAN-based network architectures.

Deep learning employs multi-layer neural networks trained via the backpropagation algorithm. This approach has achieved success across many domains and relies on adaptive gradient methods such as the Adam optimizer. Sequence modeling evolved from recurrent neural networks to attention-based models, culminating in the Transformer architecture. Transformers have achieved state-of-the-art performance in natural language processing (for example, BERT and GPT-3) and have been applied in computer vision and computational biology. However, theoretical understanding of these models remains limited. In this paper, we examine the mathematical foundations of deep learning and Transformers and present a novel theoretical result. We review key concepts from linear algebra, probability, and optimization that underpin deep learning, and we analyze the multi-head self-attention mechanism and the backpropagation algorithm in detail. Our main contribution is a universal approximation theorem for Transformers: we prove that a single-layer Transformer, comprising one self-attention layer followed by a position-wise feed-forward network with ReLU activation, can approximate any continuous sequence-to-sequence mapping on a compact domain to arbitrary precision. We provide a formal statement and a complete proof. Finally, we present case studies that demonstrate the practical implications of this result. Our findings advance the theoretical understanding of Transformer models and help bridge the gap between theory and practice.

Despite the remarkable capabilities of deep neural networks in image recognition, the dependence on activation functions remains a largely unexplored area and has yet to be eliminated. On the other hand, Polynomial Networks is a class of models that does not require activation functions, but have yet to perform on par with modern architectures. In this work, we aim close this gap and propose MONet, which relies solely on multilinear operators. The core layer of MONet, called Mu-Layer, captures multiplicative interactions of the elements of the input token. MONet captures high-degree interactions of the input elements and we demonstrate the efficacy of our approach on a series of image recognition and scientific computing benchmarks. The proposed model outperforms prior polynomial networks and performs on par with modern architectures. We believe that MONet can inspire further research on models that use entirely multilinear operations.

Deep learning models have revolutionized various domains, with Multi-Layer Perceptrons (MLPs) being a cornerstone for tasks like data regression and image classification. However, a recent study has introduced Kolmogorov-Arnold Networks (KANs) as promising alternatives to MLPs, leveraging activation functions placed on edges rather than nodes. This structural shift aligns KANs closely with the Kolmogorov-Arnold representation theorem, potentially enhancing both model accuracy and interpretability. In this study, we explore the efficacy of KANs in the context of data representation via autoencoders, comparing their performance with traditional Convolutional Neural Networks (CNNs) on the MNIST, SVHN, and CIFAR-10 datasets. Our results demonstrate that KAN-based autoencoders achieve competitive performance in terms of reconstruction accuracy, thereby suggesting their viability as effective tools in data analysis tasks.

As the size of deep learning models continues to grow, finding optimal models under memory and computation constraints becomes increasingly more important. Although usually the architecture and constituent building blocks of neural networks allow them to be used in a modular way, their training process is not aware of this modularity. Consequently, conventional neural network training lacks the flexibility to adapt the computational load of the model during inference. This paper proposes SortedNet, a generalized and scalable solution to harness the inherent modularity of deep neural networks across various dimensions for efficient dynamic inference. Our training considers a nested architecture for the sub-models with shared parameters and trains them together with the main model in a sorted and probabilistic manner. This sorted training of sub-networks enables us to scale the number of sub-networks to hundreds using a single round of training. We utilize a novel updating scheme during training that combines random sampling of sub-networks with gradient accumulation to improve training efficiency. Furthermore, the sorted nature of our training leads to a search-free sub-network selection at inference time; and the nested architecture of the resulting sub-networks leads to minimal storage requirement and efficient switching between sub-networks at inference. Our general dynamic training approach is demonstrated across various architectures and tasks, including large language models and pre-trained vision models. Experimental results show the efficacy of the proposed approach in achieving efficient sub-networks while outperforming state-of-the-art dynamic training approaches. Our findings demonstrate the feasibility of training up to 160 different sub-models simultaneously, showcasing the extensive scalability of our proposed method while maintaining 96% of the model performance.

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However, existing approaches either overlook the inherent permutation symmetry in the neural network or rely on intricate weight-sharing patterns to achieve equivariance, while ignoring the impact of the network architecture itself. In this work, we propose to represent neural networks as computational graphs of parameters, which allows us to harness powerful graph neural networks and transformers that preserve permutation symmetry. Consequently, our approach enables a single model to encode neural computational graphs with diverse architectures. We showcase the effectiveness of our method on a wide range of tasks, including classification and editing of implicit neural representations, predicting generalization performance, and learning to optimize, while consistently outperforming state-of-the-art methods. The source code is open-sourced at https://github.com/mkofinas/neural-graphs.

Attention Model has now become an important concept in neural networks that has been researched within diverse application domains. This survey provides a structured and comprehensive overview of the developments in modeling attention. In particular, we propose a taxonomy which groups existing techniques into coherent categories. We review salient neural architectures in which attention has been incorporated, and discuss applications in which modeling attention has shown a significant impact. We also describe how attention has been used to improve the interpretability of neural networks. Finally, we discuss some future research directions in attention. We hope this survey will provide a succinct introduction to attention models and guide practitioners while developing approaches for their applications.

In recent years, Transformers have become the de-facto architecture for sequence modeling on text and a variety of multi-dimensional data, such as images and video. However, the use of self-attention layers in a Transformer incurs prohibitive compute and memory complexity that scales quadratically w.r.t. the sequence length. A recent architecture, Mamba, based on state space models has been shown to achieve comparable performance for modeling text sequences, while scaling linearly with the sequence length. In this work, we present Mamba-ND, a generalized design extending the Mamba architecture to arbitrary multi-dimensional data. Our design alternatively unravels the input data across different dimensions following row-major orderings. We provide a systematic comparison of Mamba-ND with several other alternatives, based on prior multi-dimensional extensions such as Bi-directional LSTMs and S4ND. Empirically, we show that Mamba-ND demonstrates performance competitive with the state-of-the-art on a variety of multi-dimensional benchmarks, including ImageNet-1K classification, HMDB-51 action recognition, and ERA5 weather forecasting.

This article does not propose any novel algorithm or new hardware for sparsity. Instead, it aims to serve the "common good" for the increasingly prosperous Sparse Neural Network (SNN) research community. We attempt to summarize some most common confusions in SNNs, that one may come across in various scenarios such as paper review/rebuttal and talks - many drawn from the authors' own bittersweet experiences! We feel that doing so is meaningful and timely, since the focus of SNN research is notably shifting from traditional pruning to more diverse and profound forms of sparsity before, during, and after training. The intricate relationships between their scopes, assumptions, and approaches lead to misunderstandings, for non-experts or even experts in SNNs. In response, we summarize ten Q\&As of SNNs from many key aspects, including dense vs. sparse, unstructured sparse vs. structured sparse, pruning vs. sparse training, dense-to-sparse training vs. sparse-to-sparse training, static sparsity vs. dynamic sparsity, before-training/during-training vs. post-training sparsity, and many more. We strive to provide proper and generically applicable answers to clarify those confusions to the best extent possible. We hope our summary provides useful general knowledge for people who want to enter and engage with this exciting community; and also provides some "mind of ease" convenience for SNN researchers to explain their work in the right contexts. At the very least (and perhaps as this article's most insignificant target functionality), if you are writing/planning to write a paper or rebuttal in the field of SNNs, we hope some of our answers could help you!

There has been a large literature of neural architecture search, but most existing work made use of heuristic rules that largely constrained the search flexibility. In this paper, we first relax these manually designed constraints and enlarge the search space to contain more than 10^{160} candidates. In the new space, most existing differentiable search methods can fail dramatically. We then propose a novel algorithm named Gradual One-Level Differentiable Neural Architecture Search (GOLD-NAS) which introduces a variable resource constraint to one-level optimization so that the weak operators are gradually pruned out from the super-network. In standard image classification benchmarks, GOLD-NAS can find a series of Pareto-optimal architectures within a single search procedure. Most of the discovered architectures were never studied before, yet they achieve a nice tradeoff between recognition accuracy and model complexity. We believe the new space and search algorithm can advance the search of differentiable NAS.

Neural networks are trained by choosing an architecture and training the parameters. The choice of architecture is often by trial and error or with Neural Architecture Search (NAS) methods. While NAS provides some automation, it often relies on discrete steps that optimize the architecture and then train the parameters. We introduce a novel neural network training framework that fundamentally transforms the process by learning architecture and parameters simultaneously with gradient descent. With the appropriate setting of the loss function, it can discover sparse and compact neural networks for given datasets. Central to our approach is a multi-scale encoder-decoder, in which the encoder embeds pairs of neural networks with similar functionalities close to each other (irrespective of their architectures and weights). To train a neural network with a given dataset, we randomly sample a neural network embedding in the embedding space and then perform gradient descent using our custom loss function, which incorporates a sparsity penalty to encourage compactness. The decoder generates a neural network corresponding to the embedding. Experiments demonstrate that our framework can discover sparse and compact neural networks maintaining a high performance.

Deep learning has been successful in automating the design of features in machine learning pipelines. However, the algorithms optimizing neural network parameters remain largely hand-designed and computationally inefficient. We study if we can use deep learning to directly predict these parameters by exploiting the past knowledge of training other networks. We introduce a large-scale dataset of diverse computational graphs of neural architectures - DeepNets-1M - and use it to explore parameter prediction on CIFAR-10 and ImageNet. By leveraging advances in graph neural networks, we propose a hypernetwork that can predict performant parameters in a single forward pass taking a fraction of a second, even on a CPU. The proposed model achieves surprisingly good performance on unseen and diverse networks. For example, it is able to predict all 24 million parameters of a ResNet-50 achieving a 60% accuracy on CIFAR-10. On ImageNet, top-5 accuracy of some of our networks approaches 50%. Our task along with the model and results can potentially lead to a new, more computationally efficient paradigm of training networks. Our model also learns a strong representation of neural architectures enabling their analysis.

Ranking models lie at the heart of research on information retrieval (IR). During the past decades, different techniques have been proposed for constructing ranking models, from traditional heuristic methods, probabilistic methods, to modern machine learning methods. Recently, with the advance of deep learning technology, we have witnessed a growing body of work in applying shallow or deep neural networks to the ranking problem in IR, referred to as neural ranking models in this paper. The power of neural ranking models lies in the ability to learn from the raw text inputs for the ranking problem to avoid many limitations of hand-crafted features. Neural networks have sufficient capacity to model complicated tasks, which is needed to handle the complexity of relevance estimation in ranking. Since there have been a large variety of neural ranking models proposed, we believe it is the right time to summarize the current status, learn from existing methodologies, and gain some insights for future development. In contrast to existing reviews, in this survey, we will take a deep look into the neural ranking models from different dimensions to analyze their underlying assumptions, major design principles, and learning strategies. We compare these models through benchmark tasks to obtain a comprehensive empirical understanding of the existing techniques. We will also discuss what is missing in the current literature and what are the promising and desired future directions.

State-of-the-art solutions in the areas of "Language Modelling & Generating Text", "Speech Recognition", "Generating Image Descriptions" or "Video Tagging" have been using Recurrent Neural Networks as the foundation for their approaches. Understanding the underlying concepts is therefore of tremendous importance if we want to keep up with recent or upcoming publications in those areas. In this work we give a short overview over some of the most important concepts in the realm of Recurrent Neural Networks which enables readers to easily understand the fundamentals such as but not limited to "Backpropagation through Time" or "Long Short-Term Memory Units" as well as some of the more recent advances like the "Attention Mechanism" or "Pointer Networks". We also give recommendations for further reading regarding more complex topics where it is necessary.

In this note (work in progress towards a full-length paper) we show that a family of sequence models based on recurrent linear layers~(including S4, S5, and the LRU) interleaved with position-wise multi-layer perceptrons~(MLPs) can approximate arbitrarily well any sufficiently regular non-linear sequence-to-sequence map. The main idea behind our result is to see recurrent layers as compression algorithms that can faithfully store information about the input sequence into an inner state, before it is processed by the highly expressive MLP.

Deep neural networks tend to exhibit a bias toward low-rank solutions during training, implicitly learning low-dimensional feature representations. This paper investigates how deep multilayer perceptrons (MLPs) encode these feature manifolds and connects this behavior to the Information Bottleneck (IB) theory. We introduce the concept of local rank as a measure of feature manifold dimensionality and demonstrate, both theoretically and empirically, that this rank decreases during the final phase of training. We argue that networks that reduce the rank of their learned representations also compress mutual information between inputs and intermediate layers. This work bridges the gap between feature manifold rank and information compression, offering new insights into the interplay between information bottlenecks and representation learning.

Search engines often follow a two-phase paradigm where in the first stage (the retrieval stage) an initial set of documents is retrieved and in the second stage (the re-ranking stage) the documents are re-ranked to obtain the final result list. While deep neural networks were shown to improve the performance of the re-ranking stage in previous works, there is little literature about using deep neural networks to improve the retrieval stage. In this paper, we study the merits of combining deep neural network models and lexical models for the retrieval stage. A hybrid approach, which leverages both semantic (deep neural network-based) and lexical (keyword matching-based) retrieval models, is proposed. We perform an empirical study, using a publicly available TREC collection, which demonstrates the effectiveness of our approach and sheds light on the different characteristics of the semantic approach, the lexical approach, and their combination.

Neural Architecture Search (NAS) aims to facilitate the design of deep networks for new tasks. Existing techniques rely on two stages: searching over the architecture space and validating the best architecture. NAS algorithms are currently compared solely based on their results on the downstream task. While intuitive, this fails to explicitly evaluate the effectiveness of their search strategies. In this paper, we propose to evaluate the NAS search phase. To this end, we compare the quality of the solutions obtained by NAS search policies with that of random architecture selection. We find that: (i) On average, the state-of-the-art NAS algorithms perform similarly to the random policy; (ii) the widely-used weight sharing strategy degrades the ranking of the NAS candidates to the point of not reflecting their true performance, thus reducing the effectiveness of the search process. We believe that our evaluation framework will be key to designing NAS strategies that consistently discover architectures superior to random ones.

While existing work on neural architecture search (NAS) tunes hyperparameters in a separate post-processing step, we demonstrate that architectural choices and other hyperparameter settings interact in a way that can render this separation suboptimal. Likewise, we demonstrate that the common practice of using very few epochs during the main NAS and much larger numbers of epochs during a post-processing step is inefficient due to little correlation in the relative rankings for these two training regimes. To combat both of these problems, we propose to use a recent combination of Bayesian optimization and Hyperband for efficient joint neural architecture and hyperparameter search.

Recursive Neural Networks (RvNNs), which compose sequences according to their underlying hierarchical syntactic structure, have performed well in several natural language processing tasks compared to similar models without structural biases. However, traditional RvNNs are incapable of inducing the latent structure in a plain text sequence on their own. Several extensions have been proposed to overcome this limitation. Nevertheless, these extensions tend to rely on surrogate gradients or reinforcement learning at the cost of higher bias or variance. In this work, we propose Continuous Recursive Neural Network (CRvNN) as a backpropagation-friendly alternative to address the aforementioned limitations. This is done by incorporating a continuous relaxation to the induced structure. We demonstrate that CRvNN achieves strong performance in challenging synthetic tasks such as logical inference and ListOps. We also show that CRvNN performs comparably or better than prior latent structure models on real-world tasks such as sentiment analysis and natural language inference.

Large language models based on transformers have achieved great empirical successes. However, as they are deployed more widely, there is a growing need to better understand their internal mechanisms in order to make them more reliable. These models appear to store vast amounts of knowledge from their training data, and to adapt quickly to new information provided in their context or prompt. We study how transformers balance these two types of knowledge by considering a synthetic setup where tokens are generated from either global or context-specific bigram distributions. By a careful empirical analysis of the training process on a simplified two-layer transformer, we illustrate the fast learning of global bigrams and the slower development of an "induction head" mechanism for the in-context bigrams. We highlight the role of weight matrices as associative memories, provide theoretical insights on how gradients enable their learning during training, and study the role of data-distributional properties.

Predictor-based methods have substantially enhanced Neural Architecture Search (NAS) optimization. The efficacy of these predictors is largely influenced by the method of encoding neural network architectures. While traditional encodings used an adjacency matrix describing the graph structure of a neural network, novel encodings embrace a variety of approaches from unsupervised pretraining of latent representations to vectors of zero-cost proxies. In this paper, we categorize and investigate neural encodings from three main types: structural, learned, and score-based. Furthermore, we extend these encodings and introduce unified encodings, that extend NAS predictors to multiple search spaces. Our analysis draws from experiments conducted on over 1.5 million neural network architectures on NAS spaces such as NASBench-101 (NB101), NB201, NB301, Network Design Spaces (NDS), and TransNASBench-101. Building on our study, we present our predictor FLAN: Flow Attention for NAS. FLAN integrates critical insights on predictor design, transfer learning, and unified encodings to enable more than an order of magnitude cost reduction for training NAS accuracy predictors. Our implementation and encodings for all neural networks are open-sourced at https://github.com/abdelfattah-lab/flan_nas{https://github.com/abdelfattah-lab/flan\_nas}.

Convolutional Neural Networks (CNNs) are the go-to model for computer vision. Recently, attention-based networks, such as the Vision Transformer, have also become popular. In this paper we show that while convolutions and attention are both sufficient for good performance, neither of them are necessary. We present MLP-Mixer, an architecture based exclusively on multi-layer perceptrons (MLPs). MLP-Mixer contains two types of layers: one with MLPs applied independently to image patches (i.e. "mixing" the per-location features), and one with MLPs applied across patches (i.e. "mixing" spatial information). When trained on large datasets, or with modern regularization schemes, MLP-Mixer attains competitive scores on image classification benchmarks, with pre-training and inference cost comparable to state-of-the-art models. We hope that these results spark further research beyond the realms of well established CNNs and Transformers.

Over the past few years, neural networks have re-emerged as powerful machine-learning models, yielding state-of-the-art results in fields such as image recognition and speech processing. More recently, neural network models started to be applied also to textual natural language signals, again with very promising results. This tutorial surveys neural network models from the perspective of natural language processing research, in an attempt to bring natural-language researchers up to speed with the neural techniques. The tutorial covers input encoding for natural language tasks, feed-forward networks, convolutional networks, recurrent networks and recursive networks, as well as the computation graph abstraction for automatic gradient computation.

Implicit-depth neural networks have grown as powerful alternatives to traditional networks in various applications in recent years. However, these models often lack guarantees of existence and uniqueness, raising stability, performance, and reproducibility issues. In this paper, we present a new analysis of the existence and uniqueness of fixed points for implicit-depth neural networks based on the concept of subhomogeneous operators and the nonlinear Perron-Frobenius theory. Compared to previous similar analyses, our theory allows for weaker assumptions on the parameter matrices, thus yielding a more flexible framework for well-defined implicit networks. We illustrate the performance of the resulting subhomogeneous networks on feedforward, convolutional, and graph neural network examples.

We present ResMLP, an architecture built entirely upon multi-layer perceptrons for image classification. It is a simple residual network that alternates (i) a linear layer in which image patches interact, independently and identically across channels, and (ii) a two-layer feed-forward network in which channels interact independently per patch. When trained with a modern training strategy using heavy data-augmentation and optionally distillation, it attains surprisingly good accuracy/complexity trade-offs on ImageNet. We also train ResMLP models in a self-supervised setup, to further remove priors from employing a labelled dataset. Finally, by adapting our model to machine translation we achieve surprisingly good results. We share pre-trained models and our code based on the Timm library.

Current learning-based robot grasping approaches exploit human-labeled datasets for training the models. However, there are two problems with such a methodology: (a) since each object can be grasped in multiple ways, manually labeling grasp locations is not a trivial task; (b) human labeling is biased by semantics. While there have been attempts to train robots using trial-and-error experiments, the amount of data used in such experiments remains substantially low and hence makes the learner prone to over-fitting. In this paper, we take the leap of increasing the available training data to 40 times more than prior work, leading to a dataset size of 50K data points collected over 700 hours of robot grasping attempts. This allows us to train a Convolutional Neural Network (CNN) for the task of predicting grasp locations without severe overfitting. In our formulation, we recast the regression problem to an 18-way binary classification over image patches. We also present a multi-stage learning approach where a CNN trained in one stage is used to collect hard negatives in subsequent stages. Our experiments clearly show the benefit of using large-scale datasets (and multi-stage training) for the task of grasping. We also compare to several baselines and show state-of-the-art performance on generalization to unseen objects for grasping.

Prompt tuning has emerged as an effective rehearsal-free technique for class-incremental learning (CIL) that learns a tiny set of task-specific parameters (or prompts) to instruct a pre-trained transformer to learn on a sequence of tasks. Albeit effective, prompt tuning methods do not lend well in the multi-label class incremental learning (MLCIL) scenario (where an image contains multiple foreground classes) due to the ambiguity in selecting the correct prompt(s) corresponding to different foreground objects belonging to multiple tasks. To circumvent this issue we propose to eliminate the prompt selection mechanism by maintaining task-specific pathways, which allow us to learn representations that do not interact with the ones from the other tasks. Since independent pathways in truly incremental scenarios will result in an explosion of computation due to the quadratically complex multi-head self-attention (MSA) operation in prompt tuning, we propose to reduce the original patch token embeddings into summarized tokens. Prompt tuning is then applied to these fewer summarized tokens to compute the final representation. Our proposed method Multi-Label class incremental learning via summarising pAtch tokeN Embeddings (MULTI-LANE) enables learning disentangled task-specific representations in MLCIL while ensuring fast inference. We conduct experiments in common benchmarks and demonstrate that our MULTI-LANE achieves a new state-of-the-art in MLCIL. Additionally, we show that MULTI-LANE is also competitive in the CIL setting. Source code available at https://github.com/tdemin16/multi-lane

Mixtures of Experts combine the outputs of several "expert" networks, each of which specializes in a different part of the input space. This is achieved by training a "gating" network that maps each input to a distribution over the experts. Such models show promise for building larger networks that are still cheap to compute at test time, and more parallelizable at training time. In this this work, we extend the Mixture of Experts to a stacked model, the Deep Mixture of Experts, with multiple sets of gating and experts. This exponentially increases the number of effective experts by associating each input with a combination of experts at each layer, yet maintains a modest model size. On a randomly translated version of the MNIST dataset, we find that the Deep Mixture of Experts automatically learns to develop location-dependent ("where") experts at the first layer, and class-specific ("what") experts at the second layer. In addition, we see that the different combinations are in use when the model is applied to a dataset of speech monophones. These demonstrate effective use of all expert combinations.

With the increasing number of new neural architecture designs and substantial existing neural architectures, it becomes difficult for the researchers to situate their contributions compared with existing neural architectures or establish the connections between their designs and other relevant ones. To discover similar neural architectures in an efficient and automatic manner, we define a new problem Neural Architecture Retrieval which retrieves a set of existing neural architectures which have similar designs to the query neural architecture. Existing graph pre-training strategies cannot address the computational graph in neural architectures due to the graph size and motifs. To fulfill this potential, we propose to divide the graph into motifs which are used to rebuild the macro graph to tackle these issues, and introduce multi-level contrastive learning to achieve accurate graph representation learning. Extensive evaluations on both human-designed and synthesized neural architectures demonstrate the superiority of our algorithm. Such a dataset which contains 12k real-world network architectures, as well as their embedding, is built for neural architecture retrieval.

In the artificial neuron, I replace the dot product with the weighted Lehmer mean, which may emulate different cases of a generalized mean. The single neuron instance is replaced by a multiplet of neurons which have the same averaging weights. A group of outputs feed forward, in lieu of the single scalar. The generalization parameter is typically set to a different value for each neuron in the multiplet. I further extend the concept to a multiplet taken from the Gini mean. Derivatives with respect to the weight parameters and with respect to the two generalization parameters are given. Some properties of the network are investigated, showing the capacity to emulate the classical exclusive-or problem organically in two layers and perform some multiplication and division. The network can instantiate truncated power series and variants, which can be used to approximate different functions, provided that parameters are constrained. Moreover, a mean case slope score is derived that can facilitate a learning-rate novelty based on homogeneity of the selected elements. The multiplet neuron equation provides a way to segment regularization timeframes and approaches.

Deep feedforward and recurrent networks have achieved impressive results in many perception and language processing applications. This success is partially attributed to architectural innovations such as convolutional and long short-term memory networks. The main motivation for these architectural innovations is that they capture better domain knowledge, and importantly are easier to optimize than more basic architectures. Recently, more complex architectures such as Neural Turing Machines and Memory Networks have been proposed for tasks including question answering and general computation, creating a new set of optimization challenges. In this paper, we discuss a low-overhead and easy-to-implement technique of adding gradient noise which we find to be surprisingly effective when training these very deep architectures. The technique not only helps to avoid overfitting, but also can result in lower training loss. This method alone allows a fully-connected 20-layer deep network to be trained with standard gradient descent, even starting from a poor initialization. We see consistent improvements for many complex models, including a 72% relative reduction in error rate over a carefully-tuned baseline on a challenging question-answering task, and a doubling of the number of accurate binary multiplication models learned across 7,000 random restarts. We encourage further application of this technique to additional complex modern architectures.

The last decade has witnessed a boom of deep learning research and applications achieving state-of-the-art results in various domains. However, most advances have been established empirically, and their theoretical analysis remains lacking. One major issue is that our current interpretation of neural networks (NNs) as function approximators is too generic to support in-depth analysis. In this paper, we remedy this by proposing an alternative interpretation that identifies NNs as chain graphs (CGs) and feed-forward as an approximate inference procedure. The CG interpretation specifies the nature of each NN component within the rich theoretical framework of probabilistic graphical models, while at the same time remains general enough to cover real-world NNs with arbitrary depth, multi-branching and varied activations, as well as common structures including convolution / recurrent layers, residual block and dropout. We demonstrate with concrete examples that the CG interpretation can provide novel theoretical support and insights for various NN techniques, as well as derive new deep learning approaches such as the concept of partially collapsed feed-forward inference. It is thus a promising framework that deepens our understanding of neural networks and provides a coherent theoretical formulation for future deep learning research.

In this work, we propose a concise neural operator architecture for operator learning. Drawing an analogy with a conventional fully connected neural network, we define the neural operator as follows: the output of the i-th neuron in a nonlinear operator layer is defined by mathcal O_i(u) = sigmaleft( sum_j mathcal W_{ij} u + mathcal B_{ij}right). Here, mathcal W_{ij} denotes the bounded linear operator connecting j-th input neuron to i-th output neuron, and the bias mathcal B_{ij} takes the form of a function rather than a scalar. Given its new universal approximation property, the efficient parameterization of the bounded linear operators between two neurons (Banach spaces) plays a critical role. As a result, we introduce MgNO, utilizing multigrid structures to parameterize these linear operators between neurons. This approach offers both mathematical rigor and practical expressivity. Additionally, MgNO obviates the need for conventional lifting and projecting operators typically required in previous neural operators. Moreover, it seamlessly accommodates diverse boundary conditions. Our empirical observations reveal that MgNO exhibits superior ease of training compared to other CNN-based models, while also displaying a reduced susceptibility to overfitting when contrasted with spectral-type neural operators. We demonstrate the efficiency and accuracy of our method with consistently state-of-the-art performance on different types of partial differential equations (PDEs).

We study the effectiveness of neural sequence models for premise selection in automated theorem proving, one of the main bottlenecks in the formalization of mathematics. We propose a two stage approach for this task that yields good results for the premise selection task on the Mizar corpus while avoiding the hand-engineered features of existing state-of-the-art models. To our knowledge, this is the first time deep learning has been applied to theorem proving on a large scale.

In this paper, we describe a feedforward artificial neural network trained on the ImageNet 2012 contest dataset [7] with the new method of [5] to an accuracy rate of 98.3% with a 99.69 Top-1 rate, and an average of 285.9 labels that are perfectly classified over the 10 batch partitions of the dataset. The best performing model uses 322,430,160 parameters, with 4 decimal places precision. We conjecture that the reason our model does not achieve a 100% accuracy rate is due to a double-labeling problem, by which there are duplicate images in the dataset with different labels.

In the natural language processing literature, neural networks are becoming increasingly deeper and complex. The recent poster child of this trend is the deep language representation model, which includes BERT, ELMo, and GPT. These developments have led to the conviction that previous-generation, shallower neural networks for language understanding are obsolete. In this paper, however, we demonstrate that rudimentary, lightweight neural networks can still be made competitive without architecture changes, external training data, or additional input features. We propose to distill knowledge from BERT, a state-of-the-art language representation model, into a single-layer BiLSTM, as well as its siamese counterpart for sentence-pair tasks. Across multiple datasets in paraphrasing, natural language inference, and sentiment classification, we achieve comparable results with ELMo, while using roughly 100 times fewer parameters and 15 times less inference time.

We introduce a model-based asynchronous multi-fidelity method for hyperparameter and neural architecture search that combines the strengths of asynchronous Hyperband and Gaussian process-based Bayesian optimization. At the heart of our method is a probabilistic model that can simultaneously reason across hyperparameters and resource levels, and supports decision-making in the presence of pending evaluations. We demonstrate the effectiveness of our method on a wide range of challenging benchmarks, for tabular data, image classification and language modelling, and report substantial speed-ups over current state-of-the-art methods. Our new methods, along with asynchronous baselines, are implemented in a distributed framework which will be open sourced along with this publication.

Contemporary machine learning models, such as language models, are powerful, but come with immense resource requirements both at training and inference time. It has been shown that decoder-only language models can be trained to a competitive state with ternary weights (1.58 bits per weight), facilitating efficient inference. Here, we start our exploration with non-transformer model architectures, investigating 1.58-bit training for multi-layer perceptrons and graph neural networks. Then, we explore 1.58-bit training in other transformer-based language models, namely encoder-only and encoder-decoder models. Our results show that in all of these settings, 1.58-bit training is on par with or sometimes even better than the standard 32/16-bit models.

We propose using cascaded classifiers for a keyword spotting (KWS) task on narrow-band (NB), 8kHz audio acquired in non-IID environments --- a more challenging task than most state-of-the-art KWS systems face. We present a model that incorporates Deep Neural Networks (DNNs), cascading, multiple-feature representations, and multiple-instance learning. The cascaded classifiers handle the task's class imbalance and reduce power consumption on computationally-constrained devices via early termination. The KWS system achieves a false negative rate of 6% at an hourly false positive rate of 0.75

Neural Module Networks, originally proposed for the task of visual question answering, are a class of neural network architectures that involve human-specified neural modules, each designed for a specific form of reasoning. In current formulations of such networks only the parameters of the neural modules and/or the order of their execution is learned. In this work, we further expand this approach and also learn the underlying internal structure of modules in terms of the ordering and combination of simple and elementary arithmetic operators. Our results show that one is indeed able to simultaneously learn both internal module structure and module sequencing without extra supervisory signals for module execution sequencing. With this approach, we report performance comparable to models using hand-designed modules.

We reformulate the problem of encoding a multi-scale representation of a sequence in a language model by casting it in a continuous learning framework. We propose a hierarchical multi-scale language model in which short time-scale dependencies are encoded in the hidden state of a lower-level recurrent neural network while longer time-scale dependencies are encoded in the dynamic of the lower-level network by having a meta-learner update the weights of the lower-level neural network in an online meta-learning fashion. We use elastic weights consolidation as a higher-level to prevent catastrophic forgetting in our continuous learning framework.

The exponential growth in numbers of parameters of neural networks over the past years has been accompanied by an increase in performance across several fields. However, due to their sheer size, the networks not only became difficult to interpret but also problematic to train and use in real-world applications, since hardware requirements increased accordingly. Tackling both issues, we present a novel approach that either drops a neural network's initial weights or inverts their respective sign. Put simply, a network is trained by weight selection and inversion without changing their absolute values. Our contribution extends previous work on masking by additionally sign-inverting the initial weights and follows the findings of the Lottery Ticket Hypothesis. Through this extension and adaptations of initialization methods, we achieve a pruning rate of up to 99%, while still matching or exceeding the performance of various baseline and previous models. Our approach has two main advantages. First, and most notable, signed Supermask models drastically simplify a model's structure, while still performing well on given tasks. Second, by reducing the neural network to its very foundation, we gain insights into which weights matter for performance. The code is available on GitHub.

This paper studies the problem of training a two-layer ReLU network for binary classification using gradient flow with small initialization. We consider a training dataset with well-separated input vectors: Any pair of input data with the same label are positively correlated, and any pair with different labels are negatively correlated. Our analysis shows that, during the early phase of training, neurons in the first layer try to align with either the positive data or the negative data, depending on its corresponding weight on the second layer. A careful analysis of the neurons' directional dynamics allows us to provide an O(log n{mu}) upper bound on the time it takes for all neurons to achieve good alignment with the input data, where n is the number of data points and mu measures how well the data are separated. After the early alignment phase, the loss converges to zero at a O(1{t}) rate, and the weight matrix on the first layer is approximately low-rank. Numerical experiments on the MNIST dataset illustrate our theoretical findings.

Perspective distortions and crowd variations make crowd counting a challenging task in computer vision. To tackle it, many previous works have used multi-scale architecture in deep neural networks (DNNs). Multi-scale branches can be either directly merged (e.g. by concatenation) or merged through the guidance of proxies (e.g. attentions) in the DNNs. Despite their prevalence, these combination methods are not sophisticated enough to deal with the per-pixel performance discrepancy over multi-scale density maps. In this work, we redesign the multi-scale neural network by introducing a hierarchical mixture of density experts, which hierarchically merges multi-scale density maps for crowd counting. Within the hierarchical structure, an expert competition and collaboration scheme is presented to encourage contributions from all scales; pixel-wise soft gating nets are introduced to provide pixel-wise soft weights for scale combinations in different hierarchies. The network is optimized using both the crowd density map and the local counting map, where the latter is obtained by local integration on the former. Optimizing both can be problematic because of their potential conflicts. We introduce a new relative local counting loss based on relative count differences among hard-predicted local regions in an image, which proves to be complementary to the conventional absolute error loss on the density map. Experiments show that our method achieves the state-of-the-art performance on five public datasets, i.e. ShanghaiTech, UCF_CC_50, JHU-CROWD++, NWPU-Crowd and Trancos.

In Multi-Label Text Classification (MLTC), one sample can belong to more than one class. It is observed that most MLTC tasks, there are dependencies or correlations among labels. Existing methods tend to ignore the relationship among labels. In this paper, a graph attention network-based model is proposed to capture the attentive dependency structure among the labels. The graph attention network uses a feature matrix and a correlation matrix to capture and explore the crucial dependencies between the labels and generate classifiers for the task. The generated classifiers are applied to sentence feature vectors obtained from the text feature extraction network (BiLSTM) to enable end-to-end training. Attention allows the system to assign different weights to neighbor nodes per label, thus allowing it to learn the dependencies among labels implicitly. The results of the proposed model are validated on five real-world MLTC datasets. The proposed model achieves similar or better performance compared to the previous state-of-the-art models.

Medical image analysis continues to hold interesting challenges given the subtle characteristics of certain diseases and the significant overlap in appearance between diseases. In this work, we explore the concept of self-attention for tackling such subtleties in and between diseases. To this end, we introduce MEDUSA, a multi-scale encoder-decoder self-attention mechanism tailored for medical image analysis. While self-attention deep convolutional neural network architectures in existing literature center around the notion of multiple isolated lightweight attention mechanisms with limited individual capacities being incorporated at different points in the network architecture, MEDUSA takes a significant departure from this notion by possessing a single, unified self-attention mechanism with significantly higher capacity with multiple attention heads feeding into different scales in the network architecture. To the best of the authors' knowledge, this is the first "single body, multi-scale heads" realization of self-attention and enables explicit global context amongst selective attention at different levels of representational abstractions while still enabling differing local attention context at individual levels of abstractions. With MEDUSA, we obtain state-of-the-art performance on multiple challenging medical image analysis benchmarks including COVIDx, RSNA RICORD, and RSNA Pneumonia Challenge when compared to previous work. Our MEDUSA model is publicly available.

Models for audio source separation usually operate on the magnitude spectrum, which ignores phase information and makes separation performance dependant on hyper-parameters for the spectral front-end. Therefore, we investigate end-to-end source separation in the time-domain, which allows modelling phase information and avoids fixed spectral transformations. Due to high sampling rates for audio, employing a long temporal input context on the sample level is difficult, but required for high quality separation results because of long-range temporal correlations. In this context, we propose the Wave-U-Net, an adaptation of the U-Net to the one-dimensional time domain, which repeatedly resamples feature maps to compute and combine features at different time scales. We introduce further architectural improvements, including an output layer that enforces source additivity, an upsampling technique and a context-aware prediction framework to reduce output artifacts. Experiments for singing voice separation indicate that our architecture yields a performance comparable to a state-of-the-art spectrogram-based U-Net architecture, given the same data. Finally, we reveal a problem with outliers in the currently used SDR evaluation metrics and suggest reporting rank-based statistics to alleviate this problem.

Ear biometrics offer a stable and contactless modality for identity recognition, yet their effectiveness remains limited by the scarcity of annotated data and significant intra-class variability. Existing methods typically extract identity features from individual impressions in isolation, restricting their ability to capture consistent and discriminative representations. To overcome these limitations, a few-shot learning framework, ProtoN, is proposed to jointly process multiple impressions of an identity using a graph-based approach. Each impression is represented as a node in a class-specific graph, alongside a learnable prototype node that encodes identity-level information. This graph is processed by a Prototype Graph Neural Network (PGNN) layer, specifically designed to refine both impression and prototype representations through a dual-path message-passing mechanism. To further enhance discriminative power, the PGNN incorporates a cross-graph prototype alignment strategy that improves class separability by enforcing intra-class compactness while maintaining inter-class distinction. Additionally, a hybrid loss function is employed to balance episodic and global classification objectives, thereby improving the overall structure of the embedding space. Extensive experiments on five benchmark ear datasets demonstrate that ProtoN achieves state-of-the-art performance, with Rank-1 identification accuracy of up to 99.60% and an Equal Error Rate (EER) as low as 0.025, showing the effectiveness for few-shot ear recognition under limited data conditions.

This paper introduces MultiBooth, a novel and efficient technique for multi-concept customization in image generation from text. Despite the significant advancements in customized generation methods, particularly with the success of diffusion models, existing methods often struggle with multi-concept scenarios due to low concept fidelity and high inference cost. MultiBooth addresses these issues by dividing the multi-concept generation process into two phases: a single-concept learning phase and a multi-concept integration phase. During the single-concept learning phase, we employ a multi-modal image encoder and an efficient concept encoding technique to learn a concise and discriminative representation for each concept. In the multi-concept integration phase, we use bounding boxes to define the generation area for each concept within the cross-attention map. This method enables the creation of individual concepts within their specified regions, thereby facilitating the formation of multi-concept images. This strategy not only improves concept fidelity but also reduces additional inference cost. MultiBooth surpasses various baselines in both qualitative and quantitative evaluations, showcasing its superior performance and computational efficiency. Project Page: https://multibooth.github.io/

Neural fields, which represent signals as a function parameterized by a neural network, are a promising alternative to traditional discrete vector or grid-based representations. Compared to discrete representations, neural representations both scale well with increasing resolution, are continuous, and can be many-times differentiable. However, given a dataset of signals that we would like to represent, having to optimize a separate neural field for each signal is inefficient, and cannot capitalize on shared information or structures among signals. Existing generalization methods view this as a meta-learning problem and employ gradient-based meta-learning to learn an initialization which is then fine-tuned with test-time optimization, or learn hypernetworks to produce the weights of a neural field. We instead propose a new paradigm that views the large-scale training of neural representations as a part of a partially-observed neural process framework, and leverage neural process algorithms to solve this task. We demonstrate that this approach outperforms both state-of-the-art gradient-based meta-learning approaches and hypernetwork approaches.

We introduce a new neural architecture to learn the conditional probability of an output sequence with elements that are discrete tokens corresponding to positions in an input sequence. Such problems cannot be trivially addressed by existent approaches such as sequence-to-sequence and Neural Turing Machines, because the number of target classes in each step of the output depends on the length of the input, which is variable. Problems such as sorting variable sized sequences, and various combinatorial optimization problems belong to this class. Our model solves the problem of variable size output dictionaries using a recently proposed mechanism of neural attention. It differs from the previous attention attempts in that, instead of using attention to blend hidden units of an encoder to a context vector at each decoder step, it uses attention as a pointer to select a member of the input sequence as the output. We call this architecture a Pointer Net (Ptr-Net). We show Ptr-Nets can be used to learn approximate solutions to three challenging geometric problems -- finding planar convex hulls, computing Delaunay triangulations, and the planar Travelling Salesman Problem -- using training examples alone. Ptr-Nets not only improve over sequence-to-sequence with input attention, but also allow us to generalize to variable size output dictionaries. We show that the learnt models generalize beyond the maximum lengths they were trained on. We hope our results on these tasks will encourage a broader exploration of neural learning for discrete problems.

Neural network models have been very successful in natural language inference, with the best models reaching 90% accuracy in some benchmarks. However, the success of these models turns out to be largely benchmark specific. We show that models trained on a natural language inference dataset drawn from one benchmark fail to perform well in others, even if the notion of inference assumed in these benchmarks is the same or similar. We train six high performing neural network models on different datasets and show that each one of these has problems of generalizing when we replace the original test set with a test set taken from another corpus designed for the same task. In light of these results, we argue that most of the current neural network models are not able to generalize well in the task of natural language inference. We find that using large pre-trained language models helps with transfer learning when the datasets are similar enough. Our results also highlight that the current NLI datasets do not cover the different nuances of inference extensively enough.

Recent advances in Neural Architecture Search (NAS) such as one-shot NAS offer the ability to extract specialized hardware-aware sub-network configurations from a task-specific super-network. While considerable effort has been employed towards improving the first stage, namely, the training of the super-network, the search for derivative high-performing sub-networks is still under-explored. Popular methods decouple the super-network training from the sub-network search and use performance predictors to reduce the computational burden of searching on different hardware platforms. We propose a flexible search framework that automatically and efficiently finds optimal sub-networks that are optimized for different performance metrics and hardware configurations. Specifically, we show how evolutionary algorithms can be paired with lightly trained objective predictors in an iterative cycle to accelerate architecture search in a multi-objective setting for various modalities including machine translation and image classification.

We present a simple picture of the training process of joint embedding self-supervised learning methods. We find that these methods learn their high-dimensional embeddings one dimension at a time in a sequence of discrete, well-separated steps. We arrive at this conclusion via the study of a linearized model of Barlow Twins applicable to the case in which the trained network is infinitely wide. We solve the training dynamics of this model from small initialization, finding that the model learns the top eigenmodes of a certain contrastive kernel in a stepwise fashion, and obtain a closed-form expression for the final learned representations. Remarkably, we then see the same stepwise learning phenomenon when training deep ResNets using the Barlow Twins, SimCLR, and VICReg losses. Our theory suggests that, just as kernel regression can be thought of as a model of supervised learning, kernel PCA may serve as a useful model of self-supervised learning.

Training neural networks requires increasing amounts of memory. Parameter sharing can reduce memory and communication costs, but existing methods assume networks have many identical layers and utilize hand-crafted sharing strategies that fail to generalize. We introduce Neural Parameter Allocation Search (NPAS), a novel task where the goal is to train a neural network given an arbitrary, fixed parameter budget. NPAS covers both low-budget regimes, which produce compact networks, as well as a novel high-budget regime, where additional capacity can be added to boost performance without increasing inference FLOPs. To address NPAS, we introduce Shapeshifter Networks (SSNs), which automatically learn where and how to share parameters in a network to support any parameter budget without requiring any changes to the architecture or loss function. NPAS and SSNs provide a complete framework for addressing generalized parameter sharing, and can also be combined with prior work for additional performance gains. We demonstrate the effectiveness of our approach using nine network architectures across four diverse tasks, including ImageNet classification and transformers.

While bigger and deeper neural network architectures continue to advance the state-of-the-art for many computer vision tasks, real-world adoption of these networks is impeded by hardware and speed constraints. Conventional model compression methods attempt to address this problem by modifying the architecture manually or using pre-defined heuristics. Since the space of all reduced architectures is very large, modifying the architecture of a deep neural network in this way is a difficult task. In this paper, we tackle this issue by introducing a principled method for learning reduced network architectures in a data-driven way using reinforcement learning. Our approach takes a larger `teacher' network as input and outputs a compressed `student' network derived from the `teacher' network. In the first stage of our method, a recurrent policy network aggressively removes layers from the large `teacher' model. In the second stage, another recurrent policy network carefully reduces the size of each remaining layer. The resulting network is then evaluated to obtain a reward -- a score based on the accuracy and compression of the network. Our approach uses this reward signal with policy gradients to train the policies to find a locally optimal student network. Our experiments show that we can achieve compression rates of more than 10x for models such as ResNet-34 while maintaining similar performance to the input `teacher' network. We also present a valuable transfer learning result which shows that policies which are pre-trained on smaller `teacher' networks can be used to rapidly speed up training on larger `teacher' networks.

The performance of algorithms for neural architecture search strongly depends on the parametrization of the search space. We use contrastive learning to identify networks across different initializations based on their data Jacobians, and automatically produce the first architecture embeddings independent from the parametrization of the search space. Using our contrastive embeddings, we show that traditional black-box optimization algorithms, without modification, can reach state-of-the-art performance in Neural Architecture Search. As our method provides a unified embedding space, we perform for the first time transfer learning between search spaces. Finally, we show the evolution of embeddings during training, motivating future studies into using embeddings at different training stages to gain a deeper understanding of the networks in a search space.

We present a novel neural network for processing sequences. The ByteNet is a one-dimensional convolutional neural network that is composed of two parts, one to encode the source sequence and the other to decode the target sequence. The two network parts are connected by stacking the decoder on top of the encoder and preserving the temporal resolution of the sequences. To address the differing lengths of the source and the target, we introduce an efficient mechanism by which the decoder is dynamically unfolded over the representation of the encoder. The ByteNet uses dilation in the convolutional layers to increase its receptive field. The resulting network has two core properties: it runs in time that is linear in the length of the sequences and it sidesteps the need for excessive memorization. The ByteNet decoder attains state-of-the-art performance on character-level language modelling and outperforms the previous best results obtained with recurrent networks. The ByteNet also achieves state-of-the-art performance on character-to-character machine translation on the English-to-German WMT translation task, surpassing comparable neural translation models that are based on recurrent networks with attentional pooling and run in quadratic time. We find that the latent alignment structure contained in the representations reflects the expected alignment between the tokens.

Solving complex classification tasks using deep neural networks typically requires large amounts of annotated data. However, corresponding class labels are noisy when provided by error-prone annotators, e.g., crowd workers. Training standard deep neural networks leads to subpar performances in such multi-annotator supervised learning settings. We address this issue by presenting a probabilistic training framework named multi-annotator deep learning (MaDL). A ground truth and an annotator performance model are jointly trained in an end-to-end learning approach. The ground truth model learns to predict instances' true class labels, while the annotator performance model infers probabilistic estimates of annotators' performances. A modular network architecture enables us to make varying assumptions regarding annotators' performances, e.g., an optional class or instance dependency. Further, we learn annotator embeddings to estimate annotators' densities within a latent space as proxies of their potentially correlated annotations. Together with a weighted loss function, we improve the learning from correlated annotation patterns. In a comprehensive evaluation, we examine three research questions about multi-annotator supervised learning. Our findings indicate MaDL's state-of-the-art performance and robustness against many correlated, spamming annotators.

While neural networks are used for classification tasks across domains, a long-standing open problem in machine learning is determining whether neural networks trained using standard procedures are optimal for classification, i.e., whether such models minimize the probability of misclassification for arbitrary data distributions. In this work, we identify and construct an explicit set of neural network classifiers that achieve optimality. Since effective neural networks in practice are typically both wide and deep, we analyze infinitely wide networks that are also infinitely deep. In particular, using the recent connection between infinitely wide neural networks and Neural Tangent Kernels, we provide explicit activation functions that can be used to construct networks that achieve optimality. Interestingly, these activation functions are simple and easy to implement, yet differ from commonly used activations such as ReLU or sigmoid. More generally, we create a taxonomy of infinitely wide and deep networks and show that these models implement one of three well-known classifiers depending on the activation function used: (1) 1-nearest neighbor (model predictions are given by the label of the nearest training example); (2) majority vote (model predictions are given by the label of the class with greatest representation in the training set); or (3) singular kernel classifiers (a set of classifiers containing those that achieve optimality). Our results highlight the benefit of using deep networks for classification tasks, in contrast to regression tasks, where excessive depth is harmful.

Large Convolutional Network models have recently demonstrated impressive classification performance on the ImageNet benchmark. However there is no clear understanding of why they perform so well, or how they might be improved. In this paper we address both issues. We introduce a novel visualization technique that gives insight into the function of intermediate feature layers and the operation of the classifier. We also perform an ablation study to discover the performance contribution from different model layers. This enables us to find model architectures that outperform Krizhevsky \etal on the ImageNet classification benchmark. We show our ImageNet model generalizes well to other datasets: when the softmax classifier is retrained, it convincingly beats the current state-of-the-art results on Caltech-101 and Caltech-256 datasets.

We report a series of robust empirical observations, demonstrating that deep Neural Networks learn the examples in both the training and test sets in a similar order. This phenomenon is observed in all the commonly used benchmarks we evaluated, including many image classification benchmarks, and one text classification benchmark. While this phenomenon is strongest for models of the same architecture, it also crosses architectural boundaries -- models of different architectures start by learning the same examples, after which the more powerful model may continue to learn additional examples. We further show that this pattern of results reflects the interplay between the way neural networks learn benchmark datasets. Thus, when fixing the architecture, we show synthetic datasets where this pattern ceases to exist. When fixing the dataset, we show that other learning paradigms may learn the data in a different order. We hypothesize that our results reflect how neural networks discover structure in natural datasets.

Modern recurrent architectures, such as xLSTM and Mamba, have recently challenged the Transformer in language modeling. However, their structure constrains their applicability to sequences only or requires processing multi-dimensional data structures, such as images or molecular graphs, in a pre-defined sequential order. In contrast, Multi-Dimensional RNNs (MDRNNs) are well suited for data with a higher level structure, like 2D grids, trees, and directed acyclic graphs (DAGs). In this work, we extend the notion of multi-dimensionality to linear RNNs. We introduce parallelizable Linear Source Transition Mark networks (pLSTMs) using Source, Transition, and Mark gates that act on the line graph of a general DAG. This enables parallelization in analogy to parallel associative scans and the chunkwise-recurrent form of sequential linear RNNs, but for DAGs. For regular grids (1D and 2D), like images, this scheme can be efficiently implemented using einsum operations, concatenations, and padding in logarithmic time. pLSTMs tackle the vanishing/exploding activation/gradient problem for long distances in DAGs via two distinct modes: a directed propagation mode (P-mode) and a diffusive distribution mode (D-mode). To showcase the long-range capabilities of pLSTM, we introduce arrow-pointing extrapolation as a synthetic computer vision task that contains long-distance directional information. We demonstrate that pLSTMs generalize well to larger image sizes, whereas Transformers struggle to extrapolate. On established molecular graph and computer vision benchmarks, pLSTMs also show strong performance. Code and Datasets are available at: https://github.com/ml-jku/plstm_experiments.

Designing architectures for deep neural networks requires expert knowledge and substantial computation time. We propose a technique to accelerate architecture selection by learning an auxiliary HyperNet that generates the weights of a main model conditioned on that model's architecture. By comparing the relative validation performance of networks with HyperNet-generated weights, we can effectively search over a wide range of architectures at the cost of a single training run. To facilitate this search, we develop a flexible mechanism based on memory read-writes that allows us to define a wide range of network connectivity patterns, with ResNet, DenseNet, and FractalNet blocks as special cases. We validate our method (SMASH) on CIFAR-10 and CIFAR-100, STL-10, ModelNet10, and Imagenet32x32, achieving competitive performance with similarly-sized hand-designed networks. Our code is available at https://github.com/ajbrock/SMASH

We describe a new class of learning models called memory networks. Memory networks reason with inference components combined with a long-term memory component; they learn how to use these jointly. The long-term memory can be read and written to, with the goal of using it for prediction. We investigate these models in the context of question answering (QA) where the long-term memory effectively acts as a (dynamic) knowledge base, and the output is a textual response. We evaluate them on a large-scale QA task, and a smaller, but more complex, toy task generated from a simulated world. In the latter, we show the reasoning power of such models by chaining multiple supporting sentences to answer questions that require understanding the intension of verbs.

In this work, we demonstrate that a simple two-layer neural network with standard activation functions can learn an arbitrary word operation in any finite group, provided sufficient width is available and exhibits grokking while doing so. To explain the mechanism by which this is achieved, we reframe the problem as that of learning a particular 3-tensor, which we show is typically of low rank. A key insight is that low-rank implementations of this tensor can be obtained by decomposing it along triplets of basic self-conjugate representations of the group and leveraging the fusion structure to rule out many components. Focusing on a phenomenologically similar but more tractable surrogate model, we show that the network is able to find such low-rank implementations (or approximations thereof), thereby using limited width to approximate the word-tensor in a generalizable way. In the case of the simple multiplication word, we further elucidate the form of these low-rank implementations, showing that the network effectively implements efficient matrix multiplication in the sense of Strassen. Our work also sheds light on the mechanism by which a network reaches such a solution under gradient descent.

A modern challenge of Artificial Intelligence is learning multiple patterns at once (i.e.parallel learning). While this can not be accomplished by standard Hebbian associative neural networks, in this paper we show how the Multitasking Hebbian Network (a variation on theme of the Hopfield model working on sparse data-sets) is naturally able to perform this complex task. We focus on systems processing in parallel a finite (up to logarithmic growth in the size of the network) amount of patterns, mirroring the low-storage level of standard associative neural networks at work with pattern recognition. For mild dilution in the patterns, the network handles them hierarchically, distributing the amplitudes of their signals as power-laws w.r.t. their information content (hierarchical regime), while, for strong dilution, all the signals pertaining to all the patterns are raised with the same strength (parallel regime). Further, confined to the low-storage setting (i.e., far from the spin glass limit), the presence of a teacher neither alters the multitasking performances nor changes the thresholds for learning: the latter are the same whatever the training protocol is supervised or unsupervised. Results obtained through statistical mechanics, signal-to-noise technique and Monte Carlo simulations are overall in perfect agreement and carry interesting insights on multiple learning at once: for instance, whenever the cost-function of the model is minimized in parallel on several patterns (in its description via Statistical Mechanics), the same happens to the standard sum-squared error Loss function (typically used in Machine Learning).

Inspired by the Many-Worlds Interpretation (MWI), this work introduces a novel neural network architecture that splits the same input signal into parallel branches at each layer, utilizing a Hyper Rectified Activation, referred to as ANDHRA. The branched layers do not merge and form separate network paths, leading to multiple network heads for output prediction. For a network with a branching factor of 2 at three levels, the total number of heads is 2^3 = 8 . The individual heads are jointly trained by combining their respective loss values. However, the proposed architecture requires additional parameters and memory during training due to the additional branches. During inference, the experimental results on CIFAR-10/100 demonstrate that there exists one individual head that outperforms the baseline accuracy, achieving statistically significant improvement with equal parameters and computational cost.

The ability to describe images with natural language sentences is the hallmark for image and language understanding. Such a system has wide ranging applications such as annotating images and using natural sentences to search for images.In this project we focus on the task of bidirectional image retrieval: such asystem is capable of retrieving an image based on a sentence (image search) andretrieve sentence based on an image query (image annotation). We present asystem based on a global ranking objective function which uses a combinationof convolutional neural networks (CNN) and multi layer perceptrons (MLP).It takes a pair of image and sentence and processes them in different channels,finally embedding it into a common multimodal vector space. These embeddingsencode abstract semantic information about the two inputs and can be comparedusing traditional information retrieval approaches. For each such pair, the modelreturns a score which is interpretted as a similarity metric. If this score is high,the image and sentence are likely to convey similar meaning, and if the score is low then they are likely not to. The visual input is modeled via deep convolutional neural network. On theother hand we explore three models for the textual module. The first one isbag of words with an MLP. The second one uses n-grams (bigram, trigrams,and a combination of trigram & skip-grams) with an MLP. The third is morespecialized deep network specific for modeling variable length sequences (SSE).We report comparable performance to recent work in the field, even though ouroverall model is simpler. We also show that the training time choice of how wecan generate our negative samples has a significant impact on performance, and can be used to specialize the bi-directional system in one particular task.

The ability to learn different tasks sequentially is essential to the development of artificial intelligence. In general, neural networks lack this capability, the major obstacle being catastrophic forgetting. It occurs when the incrementally available information from non-stationary data distributions is continually acquired, disrupting what the model has already learned. Our approach remembers old tasks by projecting the representations of new tasks close to that of old tasks while keeping the decision boundaries unchanged. We employ the center loss as a regularization penalty that enforces new tasks' features to have the same class centers as old tasks and makes the features highly discriminative. This, in turn, leads to the least forgetting of already learned information. This method is easy to implement, requires minimal computational and memory overhead, and allows the neural network to maintain high performance across many sequentially encountered tasks. We also demonstrate that using the center loss in conjunction with the memory replay outperforms other replay-based strategies. Along with standard MNIST variants for continual learning, we apply our method to continual domain adaptation scenarios with the Digits and PACS datasets. We demonstrate that our approach is scalable, effective, and gives competitive performance compared to state-of-the-art continual learning methods.

Attention-based architectures have become ubiquitous in machine learning, yet our understanding of the reasons for their effectiveness remains limited. This work proposes a new way to understand self-attention networks: we show that their output can be decomposed into a sum of smaller terms, each involving the operation of a sequence of attention heads across layers. Using this decomposition, we prove that self-attention possesses a strong inductive bias towards "token uniformity". Specifically, without skip connections or multi-layer perceptrons (MLPs), the output converges doubly exponentially to a rank-1 matrix. On the other hand, skip connections and MLPs stop the output from degeneration. Our experiments verify the identified convergence phenomena on different variants of standard transformer architectures.

Foundation models, or large atomistic models (LAMs), aim to universally represent the ground-state potential energy surface (PES) of atomistic systems as defined by density functional theory (DFT). The scaling law is pivotal in the development of large models, suggesting that their generalizability in downstream tasks consistently improves with increased model size, expanded training datasets, and larger computational budgets. In this study, we present DPA3, a multi-layer graph neural network founded on line graph series (LiGS), designed explicitly for the era of LAMs. We demonstrate that the generalization error of the DPA3 model adheres to the scaling law. The scalability in the number of model parameters is attained by stacking additional layers within DPA3. Additionally, the model employs a dataset encoding mechanism that decouples the scaling of training data size from the model size within its multi-task training framework. When trained as problem-oriented potential energy models, the DPA3 model exhibits superior accuracy in the majority of benchmark cases, encompassing systems with diverse features, including molecules, bulk materials, surface and cluster catalysts, two-dimensional materials, and battery materials. When trained as a LAM on the OpenLAM-v1 dataset, the DPA-3.1-3M model exhibits state-of-the-art performance in the LAMBench benchmark suite for LAMs, demonstrating lowest overall zero-shot generalization error across 17 downstream tasks from a broad spectrum of research domains. This performance suggests superior accuracy as an out-of-the-box potential model, requiring minimal fine-tuning data for downstream scientific applications.

We propose WaveMix -- a novel neural architecture for computer vision that is resource-efficient yet generalizable and scalable. WaveMix networks achieve comparable or better accuracy than the state-of-the-art convolutional neural networks, vision transformers, and token mixers for several tasks, establishing new benchmarks for segmentation on Cityscapes; and for classification on Places-365, five EMNIST datasets, and iNAT-mini. Remarkably, WaveMix architectures require fewer parameters to achieve these benchmarks compared to the previous state-of-the-art. Moreover, when controlled for the number of parameters, WaveMix requires lesser GPU RAM, which translates to savings in time, cost, and energy. To achieve these gains we used multi-level two-dimensional discrete wavelet transform (2D-DWT) in WaveMix blocks, which has the following advantages: (1) It reorganizes spatial information based on three strong image priors -- scale-invariance, shift-invariance, and sparseness of edges, (2) in a lossless manner without adding parameters, (3) while also reducing the spatial sizes of feature maps, which reduces the memory and time required for forward and backward passes, and (4) expanding the receptive field faster than convolutions do. The whole architecture is a stack of self-similar and resolution-preserving WaveMix blocks, which allows architectural flexibility for various tasks and levels of resource availability. Our code and trained models are publicly available.

Fine-tuning pre-trained large language models (LLMs) presents a dual challenge of balancing parameter efficiency and model capacity. Existing methods like low-rank adaptations (LoRA) are efficient but lack flexibility, while Mixture-of-Experts (MoE) architectures enhance model capacity at the cost of more & under-utilized parameters. To address these limitations, we propose Structural Mixture of Residual Experts (S'MoRE), a novel framework that seamlessly integrates the efficiency of LoRA with the flexibility of MoE. Specifically, S'MoRE employs hierarchical low-rank decomposition of expert weights, yielding residuals of varying orders interconnected in a multi-layer structure. By routing input tokens through sub-trees of residuals, S'MoRE emulates the capacity of many experts by instantiating and assembling just a few low-rank matrices. We craft the inter-layer propagation of S'MoRE's residuals as a special type of Graph Neural Network (GNN), and prove that under similar parameter budget, S'MoRE improves "structural flexibility" of traditional MoE (or Mixture-of-LoRA) by exponential order. Comprehensive theoretical analysis and empirical results demonstrate that S'MoRE achieves superior fine-tuning performance, offering a transformative approach for efficient LLM adaptation.

Automated brain structure segmentation is important to many clinical quantitative analysis and diagnoses. In this work, we introduce MixNet, a 2D semantic-wise deep convolutional neural network to segment brain structure in multi-modality MRI images. The network is composed of our modified deep residual learning units. In the unit, we replace the traditional convolution layer with the dilated convolutional layer, which avoids the use of pooling layers and deconvolutional layers, reducing the number of network parameters. Final predictions are made by aggregating information from multiple scales and modalities. A pyramid pooling module is used to capture spatial information of the anatomical structures at the output end. In addition, we test three architectures (MixNetv1, MixNetv2 and MixNetv3) which fuse the modalities differently to see the effect on the results. Our network achieves the state-of-the-art performance. MixNetv2 was submitted to the MRBrainS challenge at MICCAI 2018 and won the 3rd place in the 3-label task. On the MRBrainS2018 dataset, which includes subjects with a variety of pathologies, the overall DSC (Dice Coefficient) of 84.7% (gray matter), 87.3% (white matter) and 83.4% (cerebrospinal fluid) were obtained with only 7 subjects as training data.

As Deep Neural Networks (DNNs) grow in size and complexity, they often exceed the memory capacity of a single accelerator, necessitating the sharding of model parameters across multiple accelerators. Pipeline parallelism is a commonly used sharding strategy for training large DNNs. However, current implementations of pipeline parallelism are being unintentionally bottlenecked by the automatic differentiation tools provided by ML frameworks. This paper introduces 2-stage backpropagation (2BP). By splitting the backward propagation step into two separate stages, we can reduce idle compute time. We tested 2BP on various model architectures and pipelining schedules, achieving increases in throughput in all cases. Using 2BP, we were able to achieve a 1.70x increase in throughput compared to traditional methods when training a LLaMa-like transformer with 7 billion parameters across 4 GPUs.

We introduce a hierarchical filtering procedure for generative models of sequences on trees, enabling control over the range of positional correlations in the data. Leveraging this controlled setting, we provide evidence that vanilla encoder-only transformer architectures can implement the optimal Belief Propagation algorithm on both root classification and masked language modeling tasks. Correlations at larger distances corresponding to increasing layers of the hierarchy are sequentially included as the network is trained. We analyze how the transformer layers succeed by focusing on attention maps from models trained with varying degrees of filtering. These attention maps show clear evidence for iterative hierarchical reconstruction of correlations, and we can relate these observations to a plausible implementation of the exact inference algorithm for the network sizes considered.

Large language models display remarkable capabilities in logical and mathematical reasoning, allowing them to solve complex tasks. Interestingly, these abilities emerge in networks trained on the simple task of next-token prediction. In this work, we present a theoretical framework for studying auto-regressive next-token predictors. We demonstrate that even simple models such as linear next-token predictors, trained on Chain-of-Thought (CoT) data, can approximate any function efficiently computed by a Turing machine. We introduce a new complexity measure -- length complexity -- which measures the number of intermediate tokens in a CoT sequence required to approximate some target function, and analyze the interplay between length complexity and other notions of complexity. Finally, we show experimentally that simple next-token predictors, such as linear networks and shallow Multi-Layer Perceptrons (MLPs), display non-trivial performance on text generation and arithmetic tasks. Our results demonstrate that the power of language models can be attributed, to a great extent, to the auto-regressive next-token training scheme, and not necessarily to a particular choice of architecture.

The fast growing capabilities of large-scale deep learning models, such as Bert, GPT and ViT, are revolutionizing the landscape of NLP, CV and many other domains. Training such models, however, poses an unprecedented demand for computing power, which incurs exponentially increasing energy cost and carbon dioxide emissions. It is thus critical to develop efficient training solutions to reduce the training costs. Motivated by a set of key observations of inter- and intra-layer similarities among feature maps and attentions that can be identified from typical training processes, we propose a multi-level framework for training acceleration. Specifically, the framework is based on three basic operators, Coalescing, De-coalescing and Interpolation, which can be orchestrated to build a multi-level training framework. The framework consists of a V-cycle training process, which progressively down- and up-scales the model size and projects the parameters between adjacent levels of models via coalescing and de-coalescing. The key idea is that a smaller model that can be trained for fast convergence and the trained parameters provides high-qualities intermediate solutions for the next level larger network. The interpolation operator is designed to break the symmetry of neurons incurred by de-coalescing for better convergence performance. Our experiments on transformer-based language models (e.g. Bert, GPT) as well as a vision model (e.g. DeiT) prove that the proposed framework reduces the computational cost by about 20% on training BERT/GPT-Base models and up to 51.6% on training the BERT-Large model while preserving the performance.

Various common deep learning architectures, such as LSTMs, GRUs, Resnets and Highway Networks, employ state passthrough connections that support training with high feed-forward depth or recurrence over many time steps. These "Passthrough Networks" architectures also enable the decoupling of the network state size from the number of parameters of the network, a possibility has been studied by Sak2014 with their low-rank parametrization of the LSTM. In this work we extend this line of research, proposing effective, low-rank and low-rank plus diagonal matrix parametrizations for Passthrough Networks which exploit this decoupling property, reducing the data complexity and memory requirements of the network while preserving its memory capacity. This is particularly beneficial in low-resource settings as it supports expressive models with a compact parametrization less susceptible to overfitting. We present competitive experimental results on several tasks, including language modeling and a near state of the art result on sequential randomly-permuted MNIST classification, a hard task on natural data.

We propose Beam Tree Recursive Cell (BT-Cell) - a backpropagation-friendly framework to extend Recursive Neural Networks (RvNNs) with beam search for latent structure induction. We further extend this framework by proposing a relaxation of the hard top-k operators in beam search for better propagation of gradient signals. We evaluate our proposed models in different out-of-distribution splits in both synthetic and realistic data. Our experiments show that BTCell achieves near-perfect performance on several challenging structure-sensitive synthetic tasks like ListOps and logical inference while maintaining comparable performance in realistic data against other RvNN-based models. Additionally, we identify a previously unknown failure case for neural models in generalization to unseen number of arguments in ListOps. The code is available at: https://github.com/JRC1995/BeamTreeRecursiveCells.

Countless learning tasks require dealing with sequential data. Image captioning, speech synthesis, and music generation all require that a model produce outputs that are sequences. In other domains, such as time series prediction, video analysis, and musical information retrieval, a model must learn from inputs that are sequences. Interactive tasks, such as translating natural language, engaging in dialogue, and controlling a robot, often demand both capabilities. Recurrent neural networks (RNNs) are connectionist models that capture the dynamics of sequences via cycles in the network of nodes. Unlike standard feedforward neural networks, recurrent networks retain a state that can represent information from an arbitrarily long context window. Although recurrent neural networks have traditionally been difficult to train, and often contain millions of parameters, recent advances in network architectures, optimization techniques, and parallel computation have enabled successful large-scale learning with them. In recent years, systems based on long short-term memory (LSTM) and bidirectional (BRNN) architectures have demonstrated ground-breaking performance on tasks as varied as image captioning, language translation, and handwriting recognition. In this survey, we review and synthesize the research that over the past three decades first yielded and then made practical these powerful learning models. When appropriate, we reconcile conflicting notation and nomenclature. Our goal is to provide a self-contained explication of the state of the art together with a historical perspective and references to primary research.

Many recent approaches towards neural information retrieval mitigate their computational costs by using a multi-stage ranking pipeline. In the first stage, a number of potentially relevant candidates are retrieved using an efficient retrieval model such as BM25. Although BM25 has proven decent performance as a first-stage ranker, it tends to miss relevant passages. In this context we propose CoRT, a simple neural first-stage ranking model that leverages contextual representations from pretrained language models such as BERT to complement term-based ranking functions while causing no significant delay at query time. Using the MS MARCO dataset, we show that CoRT significantly increases the candidate recall by complementing BM25 with missing candidates. Consequently, we find subsequent re-rankers achieve superior results with less candidates. We further demonstrate that passage retrieval using CoRT can be realized with surprisingly low latencies.

This study introduces BrainTransformers, an innovative Large Language Model (LLM) implemented using Spiking Neural Networks (SNN). Our key contributions include: (1) designing SNN-compatible Transformer components such as SNNMatmul, SNNSoftmax, and SNNSiLU; (2) implementing an SNN approximation of the SiLU activation function; and (3) developing a Synapsis module to simulate synaptic plasticity. Our 3-billion parameter model, BrainTransformers-3B-Chat, demonstrates competitive performance across various benchmarks, including MMLU (63.2), BBH (54.1), ARC-C (54.3), and GSM8K (76.3), while potentially offering improved energy efficiency and biological plausibility. The model employs a three-stage training approach, including SNN-specific neuronal synaptic plasticity training. This research opens new avenues for brain-like AI systems in natural language processing and neuromorphic computing. Future work will focus on hardware optimization, developing specialized SNN fine-tuning tools, and exploring practical applications in energy-efficient computing environments.

We propose sparsemax, a new activation function similar to the traditional softmax, but able to output sparse probabilities. After deriving its properties, we show how its Jacobian can be efficiently computed, enabling its use in a network trained with backpropagation. Then, we propose a new smooth and convex loss function which is the sparsemax analogue of the logistic loss. We reveal an unexpected connection between this new loss and the Huber classification loss. We obtain promising empirical results in multi-label classification problems and in attention-based neural networks for natural language inference. For the latter, we achieve a similar performance as the traditional softmax, but with a selective, more compact, attention focus.

Despite their massive size, successful deep artificial neural networks can exhibit a remarkably small difference between training and test performance. Conventional wisdom attributes small generalization error either to properties of the model family, or to the regularization techniques used during training. Through extensive systematic experiments, we show how these traditional approaches fail to explain why large neural networks generalize well in practice. Specifically, our experiments establish that state-of-the-art convolutional networks for image classification trained with stochastic gradient methods easily fit a random labeling of the training data. This phenomenon is qualitatively unaffected by explicit regularization, and occurs even if we replace the true images by completely unstructured random noise. We corroborate these experimental findings with a theoretical construction showing that simple depth two neural networks already have perfect finite sample expressivity as soon as the number of parameters exceeds the number of data points as it usually does in practice. We interpret our experimental findings by comparison with traditional models.

In this paper, we introduce data multiplexing (DataMUX), a technique that enables deep neural networks to process multiple inputs simultaneously using a single compact representation. DataMUX demonstrates that neural networks are capable of generating accurate predictions over mixtures of inputs, resulting in increased throughput with minimal extra memory requirements. Our approach uses two key components -- 1) a multiplexing layer that performs a fixed linear transformation to each input before combining them to create a mixed representation of the same size as a single input, which is then processed by the base network, and 2) a demultiplexing layer that converts the base network's output back into independent representations before producing predictions for each input. We show the viability of DataMUX for different architectures (Transformers, and to a lesser extent MLPs and CNNs) across six different tasks spanning sentence classification, named entity recognition and image classification. For instance, DataMUX for Transformers can multiplex up to 20x/40x inputs, achieving 11x/18x increase in throughput with minimal absolute performance drops of <2% and <4% respectively on MNLI, a natural language inference task. We also provide a theoretical construction for multiplexing in self-attention networks and analyze the effect of various design elements in DataMUX.

Inspired by the Kolmogorov-Arnold representation theorem, we propose Kolmogorov-Arnold Networks (KANs) as promising alternatives to Multi-Layer Perceptrons (MLPs). While MLPs have fixed activation functions on nodes ("neurons"), KANs have learnable activation functions on edges ("weights"). KANs have no linear weights at all -- every weight parameter is replaced by a univariate function parametrized as a spline. We show that this seemingly simple change makes KANs outperform MLPs in terms of accuracy and interpretability. For accuracy, much smaller KANs can achieve comparable or better accuracy than much larger MLPs in data fitting and PDE solving. Theoretically and empirically, KANs possess faster neural scaling laws than MLPs. For interpretability, KANs can be intuitively visualized and can easily interact with human users. Through two examples in mathematics and physics, KANs are shown to be useful collaborators helping scientists (re)discover mathematical and physical laws. In summary, KANs are promising alternatives for MLPs, opening opportunities for further improving today's deep learning models which rely heavily on MLPs.

Recent advances in language modeling consist in pretraining highly parameterized neural networks on extremely large web-mined text corpora. Training and inference with such models can be costly in practice, which incentivizes the use of smaller counterparts. However, it has been observed that smaller models can suffer from saturation, characterized as a drop in performance at some advanced point in training followed by a plateau. In this paper, we find that such saturation can be explained by a mismatch between the hidden dimension of smaller models and the high rank of the target contextual probability distribution. This mismatch affects the performance of the linear prediction head used in such models through the well-known softmax bottleneck phenomenon. We measure the effect of the softmax bottleneck in various settings and find that models based on less than 1000 hidden dimensions tend to adopt degenerate latent representations in late pretraining, which leads to reduced evaluation performance.

A capsule is a group of neurons whose activity vector represents the instantiation parameters of a specific type of entity such as an object or an object part. We use the length of the activity vector to represent the probability that the entity exists and its orientation to represent the instantiation parameters. Active capsules at one level make predictions, via transformation matrices, for the instantiation parameters of higher-level capsules. When multiple predictions agree, a higher level capsule becomes active. We show that a discrimininatively trained, multi-layer capsule system achieves state-of-the-art performance on MNIST and is considerably better than a convolutional net at recognizing highly overlapping digits. To achieve these results we use an iterative routing-by-agreement mechanism: A lower-level capsule prefers to send its output to higher level capsules whose activity vectors have a big scalar product with the prediction coming from the lower-level capsule.

Despite rapid adoption and deployment of large language models (LLMs), the internal computations of these models remain opaque and poorly understood. In this work, we seek to understand how high-level human-interpretable features are represented within the internal neuron activations of LLMs. We train k-sparse linear classifiers (probes) on these internal activations to predict the presence of features in the input; by varying the value of k we study the sparsity of learned representations and how this varies with model scale. With k=1, we localize individual neurons which are highly relevant for a particular feature, and perform a number of case studies to illustrate general properties of LLMs. In particular, we show that early layers make use of sparse combinations of neurons to represent many features in superposition, that middle layers have seemingly dedicated neurons to represent higher-level contextual features, and that increasing scale causes representational sparsity to increase on average, but there are multiple types of scaling dynamics. In all, we probe for over 100 unique features comprising 10 different categories in 7 different models spanning 70 million to 6.9 billion parameters.

Increasing the size of a Transformer model does not always lead to enhanced performance. This phenomenon cannot be explained by the empirical scaling laws. Furthermore, improved generalization ability occurs as the model memorizes the training samples. We present a theoretical framework that sheds light on the memorization process and performance dynamics of transformer-based language models. We model the behavior of Transformers with associative memories using Hopfield networks, such that each transformer block effectively conducts an approximate nearest-neighbor search. Based on this, we design an energy function analogous to that in the modern continuous Hopfield network which provides an insightful explanation for the attention mechanism. Using the majorization-minimization technique, we construct a global energy function that captures the layered architecture of the Transformer. Under specific conditions, we show that the minimum achievable cross-entropy loss is bounded from below by a constant approximately equal to 1. We substantiate our theoretical results by conducting experiments with GPT-2 on various data sizes, as well as training vanilla Transformers on a dataset of 2M tokens.

Deep multitask networks, in which one neural network produces multiple predictive outputs, can offer better speed and performance than their single-task counterparts but are challenging to train properly. We present a gradient normalization (GradNorm) algorithm that automatically balances training in deep multitask models by dynamically tuning gradient magnitudes. We show that for various network architectures, for both regression and classification tasks, and on both synthetic and real datasets, GradNorm improves accuracy and reduces overfitting across multiple tasks when compared to single-task networks, static baselines, and other adaptive multitask loss balancing techniques. GradNorm also matches or surpasses the performance of exhaustive grid search methods, despite only involving a single asymmetry hyperparameter alpha. Thus, what was once a tedious search process that incurred exponentially more compute for each task added can now be accomplished within a few training runs, irrespective of the number of tasks. Ultimately, we will demonstrate that gradient manipulation affords us great control over the training dynamics of multitask networks and may be one of the keys to unlocking the potential of multitask learning.

TabPFN [Hollmann et al., 2023], a Transformer model pretrained to perform in-context learning on fresh tabular classification problems, was presented at the last ICLR conference. To better understand its behavior, we treat it as a black-box function approximator generator and observe its generated function approximations on a varied selection of training datasets. Exploring its learned inductive biases in this manner, we observe behavior that is at turns either brilliant or baffling. We conclude this post with thoughts on how these results might inform the development, evaluation, and application of prior-data fitted networks (PFNs) in the future.

We introduce a new family of deep neural network models. Instead of specifying a discrete sequence of hidden layers, we parameterize the derivative of the hidden state using a neural network. The output of the network is computed using a black-box differential equation solver. These continuous-depth models have constant memory cost, adapt their evaluation strategy to each input, and can explicitly trade numerical precision for speed. We demonstrate these properties in continuous-depth residual networks and continuous-time latent variable models. We also construct continuous normalizing flows, a generative model that can train by maximum likelihood, without partitioning or ordering the data dimensions. For training, we show how to scalably backpropagate through any ODE solver, without access to its internal operations. This allows end-to-end training of ODEs within larger models.

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

This paper introduces a new learning paradigm termed Neural Metamorphosis (NeuMeta), which aims to build self-morphable neural networks. Contrary to crafting separate models for different architectures or sizes, NeuMeta directly learns the continuous weight manifold of neural networks. Once trained, we can sample weights for any-sized network directly from the manifold, even for previously unseen configurations, without retraining. To achieve this ambitious goal, NeuMeta trains neural implicit functions as hypernetworks. They accept coordinates within the model space as input, and generate corresponding weight values on the manifold. In other words, the implicit function is learned in a way, that the predicted weights is well-performed across various models sizes. In training those models, we notice that, the final performance closely relates on smoothness of the learned manifold. In pursuit of enhancing this smoothness, we employ two strategies. First, we permute weight matrices to achieve intra-model smoothness, by solving the Shortest Hamiltonian Path problem. Besides, we add a noise on the input coordinates when training the implicit function, ensuring models with various sizes shows consistent outputs. As such, NeuMeta shows promising results in synthesizing parameters for various network configurations. Our extensive tests in image classification, semantic segmentation, and image generation reveal that NeuMeta sustains full-size performance even at a 75% compression rate.

We present a grammar error correction (GEC) system that achieves state of the art for the Czech language. Our system is based on a neural network translation approach with the Transformer architecture, and its key feature is its real-time synthetic generation pipeline, which dynamically augments sentences with artificial errors by introducing both language-agnostic and Czech-specific errors. We conduct a comprehensive series of experiments, investigating the Czech GEC corpora as bases for synthetic error introduction, several error generation strategies, domain balancing, tokenization granularity, model size, and data scaling during fine-tuning. Additionally, we evaluate the performance of large language models (LLMs) on Czech GEC in both end-user and expert fine-tuning scenarios. Our best-performing model is superior both in performance and computational efficiency. The source code and the trained model links are available on https://github.com/ufal/tsd2025-gec.

This paper targets the perceptual task of separating the different interacting voices, i.e., monophonic melodic streams, in a polyphonic musical piece. We target symbolic music, where notes are explicitly encoded, and model this task as a Multi-Trajectory Tracking (MTT) problem from discrete observations, i.e., notes in a pitch-time space. Our approach builds a graph from a musical piece, by creating one node for every note, and separates the melodic trajectories by predicting a link between two notes if they are consecutive in the same voice/stream. This kind of local, greedy prediction is made possible by node embeddings created by a heterogeneous graph neural network that can capture inter- and intra-trajectory information. Furthermore, we propose a new regularization loss that encourages the output to respect the MTT premise of at most one incoming and one outgoing link for every node, favouring monophonic (voice) trajectories; this loss function might also be useful in other general MTT scenarios. Our approach does not use domain-specific heuristics, is scalable to longer sequences and a higher number of voices, and can handle complex cases such as voice inversions and overlaps. We reach new state-of-the-art results for the voice separation task in classical music of different styles.

There is some theoretical evidence that deep neural networks with multiple hidden layers have a potential for more efficient representation of multidimensional mappings than shallow networks with a single hidden layer. The question is whether it is possible to exploit this theoretical advantage for finding such representations with help of numerical training methods. Tests using prototypical problems with a known mean square minimum did not confirm this hypothesis. Minima found with the help of deep networks have always been worse than those found using shallow networks. This does not directly contradict the theoretical findings---it is possible that the superior representational capacity of deep networks is genuine while finding the mean square minimum of such deep networks is a substantially harder problem than with shallow ones.

Dense retrieval models usually adopt vectors from the last hidden layer of the document encoder to represent a document, which is in contrast to the fact that representations in different layers of a pre-trained language model usually contain different kinds of linguistic knowledge, and behave differently during fine-tuning. Therefore, we propose to investigate utilizing representations from multiple encoder layers to make up the representation of a document, which we denote Multi-layer Representations (MLR). We first investigate how representations in different layers affect MLR's performance under the multi-vector retrieval setting, and then propose to leverage pooling strategies to reduce multi-vector models to single-vector ones to improve retrieval efficiency. Experiments demonstrate the effectiveness of MLR over dual encoder, ME-BERT and ColBERT in the single-vector retrieval setting, as well as demonstrate that it works well with other advanced training techniques such as retrieval-oriented pre-training and hard negative mining.

Inspired by the classic Sauvola local image thresholding approach, we systematically study it from the deep neural network (DNN) perspective and propose a new solution called SauvolaNet for degraded document binarization (DDB). It is composed of three explainable modules, namely, Multi-Window Sauvola (MWS), Pixelwise Window Attention (PWA), and Adaptive Sauolva Threshold (AST). The MWS module honestly reflects the classic Sauvola but with trainable parameters and multi-window settings. The PWA module estimates the preferred window sizes for each pixel location. The AST module further consolidates the outputs from MWS and PWA and predicts the final adaptive threshold for each pixel location. As a result, SauvolaNet becomes end-to-end trainable and significantly reduces the number of required network parameters to 40K -- it is only 1\% of MobileNetV2. In the meantime, it achieves the State-of-The-Art (SoTA) performance for the DDB task -- SauvolaNet is at least comparable to, if not better than, SoTA binarization solutions in our extensive studies on the 13 public document binarization datasets. Our source code is available at https://github.com/Leedeng/SauvolaNet.

Neural networks are powerful and flexible models that work well for many difficult learning tasks in image, speech and natural language understanding. Despite their success, neural networks are still hard to design. In this paper, we use a recurrent network to generate the model descriptions of neural networks and train this RNN with reinforcement learning to maximize the expected accuracy of the generated architectures on a validation set. On the CIFAR-10 dataset, our method, starting from scratch, can design a novel network architecture that rivals the best human-invented architecture in terms of test set accuracy. Our CIFAR-10 model achieves a test error rate of 3.65, which is 0.09 percent better and 1.05x faster than the previous state-of-the-art model that used a similar architectural scheme. On the Penn Treebank dataset, our model can compose a novel recurrent cell that outperforms the widely-used LSTM cell, and other state-of-the-art baselines. Our cell achieves a test set perplexity of 62.4 on the Penn Treebank, which is 3.6 perplexity better than the previous state-of-the-art model. The cell can also be transferred to the character language modeling task on PTB and achieves a state-of-the-art perplexity of 1.214.

As remote sensing imaging technology continues to advance and evolve, processing high-resolution and diversified satellite imagery to improve segmentation accuracy and enhance interpretation efficiency emerg as a pivotal area of investigation within the realm of remote sensing. Although segmentation algorithms based on CNNs and Transformers achieve significant progress in performance, balancing segmentation accuracy and computational complexity remains challenging, limiting their wide application in practical tasks. To address this, this paper introduces state space model (SSM) and proposes a novel hybrid semantic segmentation network based on vision Mamba (CVMH-UNet). This method designs a cross-scanning visual state space block (CVSSBlock) that uses cross 2D scanning (CS2D) to fully capture global information from multiple directions, while by incorporating convolutional neural network branches to overcome the constraints of Vision Mamba (VMamba) in acquiring local information, this approach facilitates a comprehensive analysis of both global and local features. Furthermore, to address the issue of limited discriminative power and the difficulty in achieving detailed fusion with direct skip connections, a multi-frequency multi-scale feature fusion block (MFMSBlock) is designed. This module introduces multi-frequency information through 2D discrete cosine transform (2D DCT) to enhance information utilization and provides additional scale local detail information through point-wise convolution branches. Finally, it aggregates multi-scale information along the channel dimension, achieving refined feature fusion. Findings from experiments conducted on renowned datasets of remote sensing imagery demonstrate that proposed CVMH-UNet achieves superior segmentation performance while maintaining low computational complexity, outperforming surpassing current leading-edge segmentation algorithms.

We propose a fast and generalizable solution to Multi-view Photometric Stereo (MVPS), called MVPSNet. The key to our approach is a feature extraction network that effectively combines images from the same view captured under multiple lighting conditions to extract geometric features from shading cues for stereo matching. We demonstrate these features, termed `Light Aggregated Feature Maps' (LAFM), are effective for feature matching even in textureless regions, where traditional multi-view stereo methods fail. Our method produces similar reconstruction results to PS-NeRF, a state-of-the-art MVPS method that optimizes a neural network per-scene, while being 411times faster (105 seconds vs. 12 hours) in inference. Additionally, we introduce a new synthetic dataset for MVPS, sMVPS, which is shown to be effective to train a generalizable MVPS method.

Many natural language processing and information retrieval problems can be formalized as the task of semantic matching. Existing work in this area has been largely focused on matching between short texts (e.g., question answering), or between a short and a long text (e.g., ad-hoc retrieval). Semantic matching between long-form documents, which has many important applications like news recommendation, related article recommendation and document clustering, is relatively less explored and needs more research effort. In recent years, self-attention based models like Transformers and BERT have achieved state-of-the-art performance in the task of text matching. These models, however, are still limited to short text like a few sentences or one paragraph due to the quadratic computational complexity of self-attention with respect to input text length. In this paper, we address the issue by proposing the Siamese Multi-depth Transformer-based Hierarchical (SMITH) Encoder for long-form document matching. Our model contains several innovations to adapt self-attention models for longer text input. In order to better capture sentence level semantic relations within a document, we pre-train the model with a novel masked sentence block language modeling task in addition to the masked word language modeling task used by BERT. Our experimental results on several benchmark datasets for long-form document matching show that our proposed SMITH model outperforms the previous state-of-the-art models including hierarchical attention, multi-depth attention-based hierarchical recurrent neural network, and BERT. Comparing to BERT based baselines, our model is able to increase maximum input text length from 512 to 2048. We will open source a Wikipedia based benchmark dataset, code and a pre-trained checkpoint to accelerate future research on long-form document matching.

Social networks have a vast range of applications with graphs. The available benchmark datasets are citation, co-occurrence, e-commerce networks, etc, with classes ranging from 3 to 15. However, there is no benchmark classification social network dataset for graph machine learning. This paper fills the gap and presents the Binary Classification Social Network Dataset (BiSND), designed for graph machine learning applications to predict binary classes. We present the BiSND in tabular and graph formats to verify its robustness across classical and advanced machine learning. We employ a diverse set of classifiers, including four traditional machine learning algorithms (Decision Trees, K-Nearest Neighbour, Random Forest, XGBoost), one Deep Neural Network (multi-layer perceptrons), one Graph Neural Network (Graph Convolutional Network), and three state-of-the-art Graph Contrastive Learning methods (BGRL, GRACE, DAENS). Our findings reveal that BiSND is suitable for classification tasks, with F1-scores ranging from 67.66 to 70.15, indicating promising avenues for future enhancements.

In generative models, two paradigms have gained attraction in various applications: next-set prediction-based Masked Generative Models and next-noise prediction-based Non-Autoregressive Models, e.g., Diffusion Models. In this work, we propose using discrete-state models to connect them and explore their scalability in the vision domain. First, we conduct a step-by-step analysis in a unified design space across two types of models including timestep-independence, noise schedule, temperature, guidance strength, etc in a scalable manner. Second, we re-cast typical discriminative tasks, e.g., image segmentation, as an unmasking process from [MASK]tokens on a discrete-state model. This enables us to perform various sampling processes, including flexible conditional sampling by only training once to model the joint distribution. All aforementioned explorations lead to our framework named Discrete Interpolants, which enables us to achieve state-of-the-art or competitive performance compared to previous discrete-state based methods in various benchmarks, like ImageNet256, MS COCO, and video dataset FaceForensics. In summary, by leveraging [MASK] in discrete-state models, we can bridge Masked Generative and Non-autoregressive Diffusion models, as well as generative and discriminative tasks.

In this paper, we describe our submission to the BabyLM Challenge 2023 shared task on data-efficient language model (LM) pretraining (Warstadt et al., 2023). We train transformer-based masked language models that incorporate unsupervised predictions about hierarchical sentence structure into the model architecture. Concretely, we use the Structformer architecture (Shen et al., 2021) and variants thereof. StructFormer models have been shown to perform well on unsupervised syntactic induction based on limited pretraining data, and to yield performance improvements over a vanilla transformer architecture (Shen et al., 2021). Evaluation of our models on 39 tasks provided by the BabyLM challenge shows promising improvements of models that integrate a hierarchical bias into the architecture at some particular tasks, even though they fail to consistently outperform the RoBERTa baseline model provided by the shared task organizers on all tasks.

We propose a new end-to-end neural acoustic model for automatic speech recognition. The model is composed of multiple blocks with residual connections between them. Each block consists of one or more modules with 1D time-channel separable convolutional layers, batch normalization, and ReLU layers. It is trained with CTC loss. The proposed network achieves near state-of-the-art accuracy on LibriSpeech and Wall Street Journal, while having fewer parameters than all competing models. We also demonstrate that this model can be effectively fine-tuned on new datasets.

Graph neural networks (GNN) has been successfully applied to operate on the graph-structured data. Given a specific scenario, rich human expertise and tremendous laborious trials are usually required to identify a suitable GNN architecture. It is because the performance of a GNN architecture is significantly affected by the choice of graph convolution components, such as aggregate function and hidden dimension. Neural architecture search (NAS) has shown its potential in discovering effective deep architectures for learning tasks in image and language modeling. However, existing NAS algorithms cannot be directly applied to the GNN search problem. First, the search space of GNN is different from the ones in existing NAS work. Second, the representation learning capacity of GNN architecture changes obviously with slight architecture modifications. It affects the search efficiency of traditional search methods. Third, widely used techniques in NAS such as parameter sharing might become unstable in GNN. To bridge the gap, we propose the automated graph neural networks (AGNN) framework, which aims to find an optimal GNN architecture within a predefined search space. A reinforcement learning based controller is designed to greedily validate architectures via small steps. AGNN has a novel parameter sharing strategy that enables homogeneous architectures to share parameters, based on a carefully-designed homogeneity definition. Experiments on real-world benchmark datasets demonstrate that the GNN architecture identified by AGNN achieves the best performance, comparing with existing handcrafted models and tradistional search methods.

Multi-stage ranking pipelines have been a practical solution in modern search systems, where the first-stage retrieval is to return a subset of candidate documents, and latter stages attempt to re-rank those candidates. Unlike re-ranking stages going through quick technique shifts during past decades, the first-stage retrieval has long been dominated by classical term-based models. Unfortunately, these models suffer from the vocabulary mismatch problem, which may block re-ranking stages from relevant documents at the very beginning. Therefore, it has been a long-term desire to build semantic models for the first-stage retrieval that can achieve high recall efficiently. Recently, we have witnessed an explosive growth of research interests on the first-stage semantic retrieval models. We believe it is the right time to survey current status, learn from existing methods, and gain some insights for future development. In this paper, we describe the current landscape of the first-stage retrieval models under a unified framework to clarify the connection between classical term-based retrieval methods, early semantic retrieval methods and neural semantic retrieval methods. Moreover, we identify some open challenges and envision some future directions, with the hope of inspiring more researches on these important yet less investigated topics.

Neural networks transform high-dimensional data into compact, structured representations, often modeled as elements of a lower dimensional latent space. In this paper, we present an alternative interpretation of neural models as dynamical systems acting on the latent manifold. Specifically, we show that autoencoder models implicitly define a latent vector field on the manifold, derived by iteratively applying the encoding-decoding map, without any additional training. We observe that standard training procedures introduce inductive biases that lead to the emergence of attractor points within this vector field. Drawing on this insight, we propose to leverage the vector field as a representation for the network, providing a novel tool to analyze the properties of the model and the data. This representation enables to: (i) analyze the generalization and memorization regimes of neural models, even throughout training; (ii) extract prior knowledge encoded in the network's parameters from the attractors, without requiring any input data; (iii) identify out-of-distribution samples from their trajectories in the vector field. We further validate our approach on vision foundation models, showcasing the applicability and effectiveness of our method in real-world scenarios.

Deep learning has proven itself as a successful set of models for learning useful semantic representations of data. These, however, are mostly implicitly learned as part of a classification task. In this paper we propose the triplet network model, which aims to learn useful representations by distance comparisons. A similar model was defined by Wang et al. (2014), tailor made for learning a ranking for image information retrieval. Here we demonstrate using various datasets that our model learns a better representation than that of its immediate competitor, the Siamese network. We also discuss future possible usage as a framework for unsupervised learning.

Transformer architecture currently represents the main driver behind many successes in a variety of tasks addressed by deep learning, especially the recent advances in natural language processing (NLP) culminating with large language models (LLM). In addition, transformer architecture has found a wide spread of interest from computer vision (CV) researchers and practitioners, allowing for many advancements in vision-related tasks and opening the door for multi-task and multi-modal deep learning architectures that share the same principle of operation. One drawback to these architectures is their reliance on the scaled dot product attention mechanism with the softmax activation function, which is computationally expensive and requires large compute capabilities both for training and inference. This paper investigates substituting the attention mechanism usually adopted for transformer architecture with an architecture incorporating gated linear unit (GLU) activation within a multi-layer perceptron (MLP) structure in conjunction with the default MLP incorporated in the traditional transformer design. Another step forward taken by this paper is to eliminate the second non-gated MLP to further reduce the computational cost. Experimental assessments conducted by this research show that both proposed modifications and reductions offer competitive performance in relation to baseline architectures, in support of the aims of this work in establishing a more efficient yet capable alternative to the traditional attention mechanism as the core component in designing transformer architectures.

We view large language models (LLMs) as stochastic language layers in a network, where the learnable parameters are the natural language prompts at each layer. We stack two such layers, feeding the output of one layer to the next. We call the stacked architecture a Deep Language Network (DLN). We first show how to effectively perform prompt optimization for a 1-Layer language network (DLN-1). We then show how to train 2-layer DLNs (DLN-2), where two prompts must be learnt. We consider the output of the first layer as a latent variable to marginalize, and devise a variational inference algorithm for joint prompt training. A DLN-2 reaches higher performance than a single layer, sometimes comparable to few-shot GPT-4 even when each LLM in the network is smaller and less powerful. The DLN code is open source: https://github.com/microsoft/deep-language-networks .

We propose a novel deep network structure called "Network In Network" (NIN) to enhance model discriminability for local patches within the receptive field. The conventional convolutional layer uses linear filters followed by a nonlinear activation function to scan the input. Instead, we build micro neural networks with more complex structures to abstract the data within the receptive field. We instantiate the micro neural network with a multilayer perceptron, which is a potent function approximator. The feature maps are obtained by sliding the micro networks over the input in a similar manner as CNN; they are then fed into the next layer. Deep NIN can be implemented by stacking mutiple of the above described structure. With enhanced local modeling via the micro network, we are able to utilize global average pooling over feature maps in the classification layer, which is easier to interpret and less prone to overfitting than traditional fully connected layers. We demonstrated the state-of-the-art classification performances with NIN on CIFAR-10 and CIFAR-100, and reasonable performances on SVHN and MNIST datasets.

Our proposed deeply-supervised nets (DSN) method simultaneously minimizes classification error while making the learning process of hidden layers direct and transparent. We make an attempt to boost the classification performance by studying a new formulation in deep networks. Three aspects in convolutional neural networks (CNN) style architectures are being looked at: (1) transparency of the intermediate layers to the overall classification; (2) discriminativeness and robustness of learned features, especially in the early layers; (3) effectiveness in training due to the presence of the exploding and vanishing gradients. We introduce "companion objective" to the individual hidden layers, in addition to the overall objective at the output layer (a different strategy to layer-wise pre-training). We extend techniques from stochastic gradient methods to analyze our algorithm. The advantage of our method is evident and our experimental result on benchmark datasets shows significant performance gain over existing methods (e.g. all state-of-the-art results on MNIST, CIFAR-10, CIFAR-100, and SVHN).

Deep residual networks were shown to be able to scale up to thousands of layers and still have improving performance. However, each fraction of a percent of improved accuracy costs nearly doubling the number of layers, and so training very deep residual networks has a problem of diminishing feature reuse, which makes these networks very slow to train. To tackle these problems, in this paper we conduct a detailed experimental study on the architecture of ResNet blocks, based on which we propose a novel architecture where we decrease depth and increase width of residual networks. We call the resulting network structures wide residual networks (WRNs) and show that these are far superior over their commonly used thin and very deep counterparts. For example, we demonstrate that even a simple 16-layer-deep wide residual network outperforms in accuracy and efficiency all previous deep residual networks, including thousand-layer-deep networks, achieving new state-of-the-art results on CIFAR, SVHN, COCO, and significant improvements on ImageNet. Our code and models are available at https://github.com/szagoruyko/wide-residual-networks

This paper introduces the sparse modular addition task and examines how transformers learn it. We focus on transformers with embeddings in R^2 and introduce a visual sandbox that provides comprehensive visualizations of each layer throughout the training process. We reveal a type of circuit, called "clustering heads," which learns the problem's invariants. We analyze the training dynamics of these circuits, highlighting two-stage learning, loss spikes due to high curvature or normalization layers, and the effects of initialization and curriculum learning.

Large language models such as GPT and Llama are trained with a next-token prediction loss. In this work, we suggest that training language models to predict multiple future tokens at once results in higher sample efficiency. More specifically, at each position in the training corpus, we ask the model to predict the following n tokens using n independent output heads, operating on top of a shared model trunk. Considering multi-token prediction as an auxiliary training task, we measure improved downstream capabilities with no overhead in training time for both code and natural language models. The method is increasingly useful for larger model sizes, and keeps its appeal when training for multiple epochs. Gains are especially pronounced on generative benchmarks like coding, where our models consistently outperform strong baselines by several percentage points. Our 13B parameter models solves 12 % more problems on HumanEval and 17 % more on MBPP than comparable next-token models. Experiments on small algorithmic tasks demonstrate that multi-token prediction is favorable for the development of induction heads and algorithmic reasoning capabilities. As an additional benefit, models trained with 4-token prediction are up to 3 times faster at inference, even with large batch sizes.

Estimating the head pose of a person is a crucial problem that has a large amount of applications such as aiding in gaze estimation, modeling attention, fitting 3D models to video and performing face alignment. Traditionally head pose is computed by estimating some keypoints from the target face and solving the 2D to 3D correspondence problem with a mean human head model. We argue that this is a fragile method because it relies entirely on landmark detection performance, the extraneous head model and an ad-hoc fitting step. We present an elegant and robust way to determine pose by training a multi-loss convolutional neural network on 300W-LP, a large synthetically expanded dataset, to predict intrinsic Euler angles (yaw, pitch and roll) directly from image intensities through joint binned pose classification and regression. We present empirical tests on common in-the-wild pose benchmark datasets which show state-of-the-art results. Additionally we test our method on a dataset usually used for pose estimation using depth and start to close the gap with state-of-the-art depth pose methods. We open-source our training and testing code as well as release our pre-trained models.

In this work we explore recent advances in Recurrent Neural Networks for large scale Language Modeling, a task central to language understanding. We extend current models to deal with two key challenges present in this task: corpora and vocabulary sizes, and complex, long term structure of language. We perform an exhaustive study on techniques such as character Convolutional Neural Networks or Long-Short Term Memory, on the One Billion Word Benchmark. Our best single model significantly improves state-of-the-art perplexity from 51.3 down to 30.0 (whilst reducing the number of parameters by a factor of 20), while an ensemble of models sets a new record by improving perplexity from 41.0 down to 23.7. We also release these models for the NLP and ML community to study and improve upon.

We demonstrate that architectures which traditionally are considered to be ill-suited for a task can be trained using inductive biases from another architecture. Networks are considered untrainable when they overfit, underfit, or converge to poor results even when tuning their hyperparameters. For example, plain fully connected networks overfit on object recognition while deep convolutional networks without residual connections underfit. The traditional answer is to change the architecture to impose some inductive bias, although what that bias is remains unknown. We introduce guidance, where a guide network guides a target network using a neural distance function. The target is optimized to perform well and to match its internal representations, layer-by-layer, to those of the guide; the guide is unchanged. If the guide is trained, this transfers over part of the architectural prior and knowledge of the guide to the target. If the guide is untrained, this transfers over only part of the architectural prior of the guide. In this manner, we can investigate what kinds of priors different architectures place on untrainable networks such as fully connected networks. We demonstrate that this method overcomes the immediate overfitting of fully connected networks on vision tasks, makes plain CNNs competitive to ResNets, closes much of the gap between plain vanilla RNNs and Transformers, and can even help Transformers learn tasks which RNNs can perform more easily. We also discover evidence that better initializations of fully connected networks likely exist to avoid overfitting. Our method provides a mathematical tool to investigate priors and architectures, and in the long term, may demystify the dark art of architecture creation, even perhaps turning architectures into a continuous optimizable parameter of the network.

We introduce 3D-SIS, a novel neural network architecture for 3D semantic instance segmentation in commodity RGB-D scans. The core idea of our method is to jointly learn from both geometric and color signal, thus enabling accurate instance predictions. Rather than operate solely on 2D frames, we observe that most computer vision applications have multi-view RGB-D input available, which we leverage to construct an approach for 3D instance segmentation that effectively fuses together these multi-modal inputs. Our network leverages high-resolution RGB input by associating 2D images with the volumetric grid based on the pose alignment of the 3D reconstruction. For each image, we first extract 2D features for each pixel with a series of 2D convolutions; we then backproject the resulting feature vector to the associated voxel in the 3D grid. This combination of 2D and 3D feature learning allows significantly higher accuracy object detection and instance segmentation than state-of-the-art alternatives. We show results on both synthetic and real-world public benchmarks, achieving an improvement in mAP of over 13 on real-world data.

In this paper, we question if well pre-trained vision transformer (ViT) models could be used as teachers that exhibit scalable properties to advance cross architecture knowledge distillation (KD) research, in the context of using large-scale datasets for evaluation. To make this possible, our analysis underlines the importance of seeking effective strategies to align (1) feature computing paradigm differences, (2) model scale differences, and (3) knowledge density differences. By combining three coupled components namely cross attention projector, dual-view feature mimicking and teacher parameter perception tailored to address the above problems, we present a simple and effective KD method, called ScaleKD. Our method can train student backbones that span across a variety of convolutional neural network (CNN), multi-layer perceptron (MLP), and ViT architectures on image classification datasets, achieving state-of-the-art distillation performance. For instance, taking a well pre-trained Swin-L as the teacher model, our method gets 75.15%|82.03%|84.16%|78.63%|81.96%|83.93%|83.80%|85.53% top-1 accuracies for MobileNet-V1|ResNet-50|ConvNeXt-T|Mixer-S/16|Mixer-B/16|ViT-S/16|Swin-T|ViT-B/16 models trained on ImageNet-1K dataset from scratch, showing 3.05%|3.39%|2.02%|4.61%|5.52%|4.03%|2.62%|3.73% absolute gains to the individually trained counterparts. Intriguingly, when scaling up the size of teacher models or their pre-training datasets, our method showcases the desired scalable properties, bringing increasingly larger gains to student models. The student backbones trained by our method transfer well on downstream MS-COCO and ADE20K datasets. More importantly, our method could be used as a more efficient alternative to the time-intensive pre-training paradigm for any target student model if a strong pre-trained ViT is available, reducing the amount of viewed training samples up to 195x.

Text recognition is a major computer vision task with a big set of associated challenges. One of those traditional challenges is the coupled nature of text recognition and segmentation. This problem has been progressively solved over the past decades, going from segmentation based recognition to segmentation free approaches, which proved more accurate and much cheaper to annotate data for. We take a step from segmentation-free single line recognition towards segmentation-free multi-line / full page recognition. We propose a novel and simple neural network module, termed OrigamiNet, that can augment any CTC-trained, fully convolutional single line text recognizer, to convert it into a multi-line version by providing the model with enough spatial capacity to be able to properly collapse a 2D input signal into 1D without losing information. Such modified networks can be trained using exactly their same simple original procedure, and using only unsegmented image and text pairs. We carry out a set of interpretability experiments that show that our trained models learn an accurate implicit line segmentation. We achieve state-of-the-art character error rate on both IAM \& ICDAR 2017 HTR benchmarks for handwriting recognition, surpassing all other methods in the literature. On IAM we even surpass single line methods that use accurate localization information during training. Our code is available online at https://github.com/IntuitionMachines/OrigamiNet.

The recent success and proliferation of machine learning and deep learning have provided powerful tools, which are also utilized for encrypted traffic analysis, classification, and threat detection in computer networks. These methods, neural networks in particular, are often complex and require a huge corpus of training data. Therefore, this paper focuses on collecting a large up-to-date dataset with almost 200 fine-grained service labels and 140 million network flows extended with packet-level metadata. The number of flows is three orders of magnitude higher than in other existing public labeled datasets of encrypted traffic. The number of service labels, which is important to make the problem hard and realistic, is four times higher than in the public dataset with the most class labels. The published dataset is intended as a benchmark for identifying services in encrypted traffic. Service identification can be further extended with the task of "rejecting" unknown services, i.e., the traffic not seen during the training phase. Neural networks offer superior performance for tackling this more challenging problem. To showcase the dataset's usefulness, we implemented a neural network with a multi-modal architecture, which is the state-of-the-art approach, and achieved 97.04% classification accuracy and detected 91.94% of unknown services with 5% false positive rate.

Graph Neural Networks (GNNs) have already been widely applied in various graph mining tasks. However, they suffer from the shallow architecture issue, which is the key impediment that hinders the model performance improvement. Although several relevant approaches have been proposed, none of the existing studies provides an in-depth understanding of the root causes of performance degradation in deep GNNs. In this paper, we conduct the first systematic experimental evaluation to present the fundamental limitations of shallow architectures. Based on the experimental results, we answer the following two essential questions: (1) what actually leads to the compromised performance of deep GNNs; (2) when we need and how to build deep GNNs. The answers to the above questions provide empirical insights and guidelines for researchers to design deep and well-performed GNNs. To show the effectiveness of our proposed guidelines, we present Deep Graph Multi-Layer Perceptron (DGMLP), a powerful approach (a paradigm in its own right) that helps guide deep GNN designs. Experimental results demonstrate three advantages of DGMLP: 1) high accuracy -- it achieves state-of-the-art node classification performance on various datasets; 2) high flexibility -- it can flexibly choose different propagation and transformation depths according to graph size and sparsity; 3) high scalability and efficiency -- it supports fast training on large-scale graphs. Our code is available in https://github.com/zwt233/DGMLP.

The Transformer architecture processes sequences by implementing a form of neural message-passing that consists of iterative information retrieval (attention), followed by local processing (position-wise MLP). Two types of information are essential under this general computational paradigm: "sensory" information about individual objects, and "relational" information describing the relationships between objects. Standard attention naturally encodes the former, but does not explicitly encode the latter. In this paper, we present an extension of Transformers where multi-head attention is augmented with two distinct types of attention heads, each routing information of a different type. The first type is the standard attention mechanism of Transformers, which captures object-level features, while the second type is a novel attention mechanism we propose to explicitly capture relational information. The two types of attention heads each possess different inductive biases, giving the resulting architecture greater efficiency and versatility. The promise of this approach is demonstrated empirically across a range of tasks.

This paper explores the potential of recurrent neural networks (RNNs) and other subquadratic architectures as competitive alternatives to transformer-based models in low-resource language modeling scenarios. We utilize HGRN2 (Qin et al., 2024), a recently proposed RNN-based architecture, and comparatively evaluate its effectiveness against transformer-based baselines and other subquadratic architectures (LSTM, xLSTM, Mamba). Our experimental results show that BABYHGRN, our HGRN2 language model, outperforms transformer-based models in both the 10M and 100M word tracks of the challenge, as measured by their performance on the BLiMP, EWoK, GLUE and BEAR benchmarks. Further, we show the positive impact of knowledge distillation. Our findings challenge the prevailing focus on transformer architectures and indicate the viability of RNN-based models, particularly in resource-constrained environments.

Learning arguably involves the discovery and memorization of abstract rules. The aim of this paper is to study associative memory mechanisms. Our model is based on high-dimensional matrices consisting of outer products of embeddings, which relates to the inner layers of transformer language models. We derive precise scaling laws with respect to sample size and parameter size, and discuss the statistical efficiency of different estimators, including optimization-based algorithms. We provide extensive numerical experiments to validate and interpret theoretical results, including fine-grained visualizations of the stored memory associations.

Inspired by Regularized Lottery Ticket Hypothesis (RLTH), which hypothesizes that there exist smooth (non-binary) subnetworks within a dense network that achieve the competitive performance of the dense network, we propose a few-shot class incremental learning (FSCIL) method referred to as Soft-SubNetworks (SoftNet). Our objective is to learn a sequence of sessions incrementally, where each session only includes a few training instances per class while preserving the knowledge of the previously learned ones. SoftNet jointly learns the model weights and adaptive non-binary soft masks at a base training session in which each mask consists of the major and minor subnetwork; the former aims to minimize catastrophic forgetting during training, and the latter aims to avoid overfitting to a few samples in each new training session. We provide comprehensive empirical validations demonstrating that our SoftNet effectively tackles the few-shot incremental learning problem by surpassing the performance of state-of-the-art baselines over benchmark datasets.

Deep learning sometimes appears to work in unexpected ways. In pursuit of a deeper understanding of its surprising behaviors, we investigate the utility of a simple yet accurate model of a trained neural network consisting of a sequence of first-order approximations telescoping out into a single empirically operational tool for practical analysis. Across three case studies, we illustrate how it can be applied to derive new empirical insights on a diverse range of prominent phenomena in the literature -- including double descent, grokking, linear mode connectivity, and the challenges of applying deep learning on tabular data -- highlighting that this model allows us to construct and extract metrics that help predict and understand the a priori unexpected performance of neural networks. We also demonstrate that this model presents a pedagogical formalism allowing us to isolate components of the training process even in complex contemporary settings, providing a lens to reason about the effects of design choices such as architecture & optimization strategy, and reveals surprising parallels between neural network learning and gradient boosting.

Despite the growing use of transformer models in computer vision, a mechanistic understanding of these networks is still needed. This work introduces a method to reverse-engineer Vision Transformers trained to solve image classification tasks. Inspired by previous research in NLP, we demonstrate how the inner representations at any level of the hierarchy can be projected onto the learned class embedding space to uncover how these networks build categorical representations for their predictions. We use our framework to show how image tokens develop class-specific representations that depend on attention mechanisms and contextual information, and give insights on how self-attention and MLP layers differentially contribute to this categorical composition. We additionally demonstrate that this method (1) can be used to determine the parts of an image that would be important for detecting the class of interest, and (2) exhibits significant advantages over traditional linear probing approaches. Taken together, our results position our proposed framework as a powerful tool for mechanistic interpretability and explainability research.

The visual medium (images and videos) naturally contains a large amount of information redundancy, thereby providing a great opportunity for leveraging efficiency in processing. While Vision Transformer (ViT) based models scale effectively to large data regimes, they fail to capitalize on this inherent redundancy, leading to higher computational costs. Mixture of Experts (MoE) networks demonstrate scalability while maintaining same inference-time costs, but they come with a larger parameter footprint. We present Mixture of Nested Experts (MoNE), which utilizes a nested structure for experts, wherein individual experts fall on an increasing compute-accuracy curve. Given a compute budget, MoNE learns to dynamically choose tokens in a priority order, and thus redundant tokens are processed through cheaper nested experts. Using this framework, we achieve equivalent performance as the baseline models, while reducing inference time compute by over two-fold. We validate our approach on standard image and video datasets - ImageNet-21K, Kinetics400, and Something-Something-v2. We further highlight MoNE's adaptability by showcasing its ability to maintain strong performance across different inference-time compute budgets on videos, using only a single trained model.

In this work we present a new State-of-The-Art on the text-to-video retrieval task on MSR-VTT, LSMDC, MSVD, YouCook2 and TGIF obtained by a single model. Three different data sources are combined: weakly-supervised videos, crowd-labeled text-image pairs and text-video pairs. A careful analysis of available pre-trained networks helps to choose the best prior-knowledge ones. We introduce three-stage training procedure that provides high transfer knowledge efficiency and allows to use noisy datasets during training without prior knowledge degradation. Additionally, double positional encoding is used for better fusion of different modalities and a simple method for non-square inputs processing is suggested.

We address the problem of class incremental learning, which is a core step towards achieving adaptive vision intelligence. In particular, we consider the task setting of incremental learning with limited memory and aim to achieve better stability-plasticity trade-off. To this end, we propose a novel two-stage learning approach that utilizes a dynamically expandable representation for more effective incremental concept modeling. Specifically, at each incremental step, we freeze the previously learned representation and augment it with additional feature dimensions from a new learnable feature extractor. This enables us to integrate new visual concepts with retaining learned knowledge. We dynamically expand the representation according to the complexity of novel concepts by introducing a channel-level mask-based pruning strategy. Moreover, we introduce an auxiliary loss to encourage the model to learn diverse and discriminate features for novel concepts. We conduct extensive experiments on the three class incremental learning benchmarks and our method consistently outperforms other methods with a large margin.

The weight matrix (WM) of a neural network (NN) is its program. The programs of many traditional NNs are learned through gradient descent in some error function, then remain fixed. The WM of a self-referential NN, however, can keep rapidly modifying all of itself during runtime. In principle, such NNs can meta-learn to learn, and meta-meta-learn to meta-learn to learn, and so on, in the sense of recursive self-improvement. While NN architectures potentially capable of implementing such behaviour have been proposed since the '90s, there have been few if any practical studies. Here we revisit such NNs, building upon recent successes of fast weight programmers and closely related linear Transformers. We propose a scalable self-referential WM (SRWM) that learns to use outer products and the delta update rule to modify itself. We evaluate our SRWM in supervised few-shot learning and in multi-task reinforcement learning with procedurally generated game environments. Our experiments demonstrate both practical applicability and competitive performance of the proposed SRWM. Our code is public.

Generative flow networks (GFlowNets) are amortized variational inference algorithms that are trained to sample from unnormalized target distributions over compositional objects. A key limitation of GFlowNets until this time has been that they are restricted to discrete spaces. We present a theory for generalized GFlowNets, which encompasses both existing discrete GFlowNets and ones with continuous or hybrid state spaces, and perform experiments with two goals in mind. First, we illustrate critical points of the theory and the importance of various assumptions. Second, we empirically demonstrate how observations about discrete GFlowNets transfer to the continuous case and show strong results compared to non-GFlowNet baselines on several previously studied tasks. This work greatly widens the perspectives for the application of GFlowNets in probabilistic inference and various modeling settings.

A neural network with the widely-used ReLU activation has been shown to partition the sample space into many convex polytopes for prediction. However, the parameterized way a neural network and other machine learning models use to partition the space has imperfections, e.g., the compromised interpretability for complex models, the inflexibility in decision boundary construction due to the generic character of the model, and the risk of being trapped into shortcut solutions. In contrast, although the non-parameterized models can adorably avoid or downplay these issues, they are usually insufficiently powerful either due to over-simplification or the failure to accommodate the manifold structures of data. In this context, we first propose a new type of machine learning models referred to as Manifoldron that directly derives decision boundaries from data and partitions the space via manifold structure discovery. Then, we systematically analyze the key characteristics of the Manifoldron such as manifold characterization capability and its link to neural networks. The experimental results on 4 synthetic examples, 20 public benchmark datasets, and 1 real-world application demonstrate that the proposed Manifoldron performs competitively compared to the mainstream machine learning models. We have shared our code in https://github.com/wdayang/Manifoldron for free download and evaluation.

We revisit the one-shot Neural Architecture Search (NAS) paradigm and analyze its advantages over existing NAS approaches. Existing one-shot method, however, is hard to train and not yet effective on large scale datasets like ImageNet. This work propose a Single Path One-Shot model to address the challenge in the training. Our central idea is to construct a simplified supernet, where all architectures are single paths so that weight co-adaption problem is alleviated. Training is performed by uniform path sampling. All architectures (and their weights) are trained fully and equally. Comprehensive experiments verify that our approach is flexible and effective. It is easy to train and fast to search. It effortlessly supports complex search spaces (e.g., building blocks, channel, mixed-precision quantization) and different search constraints (e.g., FLOPs, latency). It is thus convenient to use for various needs. It achieves start-of-the-art performance on the large dataset ImageNet.

In this work we investigate the effect of the convolutional network depth on its accuracy in the large-scale image recognition setting. Our main contribution is a thorough evaluation of networks of increasing depth using an architecture with very small (3x3) convolution filters, which shows that a significant improvement on the prior-art configurations can be achieved by pushing the depth to 16-19 weight layers. These findings were the basis of our ImageNet Challenge 2014 submission, where our team secured the first and the second places in the localisation and classification tracks respectively. We also show that our representations generalise well to other datasets, where they achieve state-of-the-art results. We have made our two best-performing ConvNet models publicly available to facilitate further research on the use of deep visual representations in computer vision.

In Transformer language models, activation vectors transform from current token embeddings to next token predictions as they pass through the model. To isolate a minimal form of this transformation, we identify language model subnetworks that make bigram predictions, naive next token predictions based only on the current token. We find that bigram subnetworks can be found in fully trained language models up to 1B parameters, and these subnetworks are critical for model performance even when they consist of less than 0.2% of model parameters. Bigram subnetworks are concentrated in the first Transformer MLP layer, and they overlap significantly with subnetworks trained to optimally prune a given model. Mechanistically, the bigram subnetworks often recreate a pattern from the full models where the first layer induces a sharp change that aligns activations with next token predictions rather than current token representations. Our results demonstrate that bigram subnetworks comprise a minimal subset of parameters that are both necessary and sufficient for basic next token predictions in language models, and they help drive the transformation from current to next token activations in the residual stream. These subnetworks can lay a foundation for studying language model circuits by building up from a minimal circuit rather than the traditional approach of ablating circuits from a full model.

Numerous deep learning applications benefit from multi-task learning with multiple regression and classification objectives. In this paper we make the observation that the performance of such systems is strongly dependent on the relative weighting between each task's loss. Tuning these weights by hand is a difficult and expensive process, making multi-task learning prohibitive in practice. We propose a principled approach to multi-task deep learning which weighs multiple loss functions by considering the homoscedastic uncertainty of each task. This allows us to simultaneously learn various quantities with different units or scales in both classification and regression settings. We demonstrate our model learning per-pixel depth regression, semantic and instance segmentation from a monocular input image. Perhaps surprisingly, we show our model can learn multi-task weightings and outperform separate models trained individually on each task.

Neural network training can be accelerated when a learnable update rule is used in lieu of classic adaptive optimizers (e.g. Adam). However, learnable update rules can be costly and unstable to train and use. A simpler recently proposed approach to accelerate training is to use Adam for most of the optimization steps and periodically, only every few steps, nowcast (predict future) parameters. We improve this approach by Neuron interaction and Nowcasting (NiNo) networks. NiNo leverages neuron connectivity and graph neural networks to more accurately nowcast parameters by learning in a supervised way from a set of training trajectories over multiple tasks. We show that in some networks, such as Transformers, neuron connectivity is non-trivial. By accurately modeling neuron connectivity, we allow NiNo to accelerate Adam training by up to 50\% in vision and language tasks.

The significant advancements of Large Language Models (LLMs) in generative tasks have led to a growing body of work exploring LLM-based embedding models. While these models, employing different pooling and attention strategies, have achieved state-of-the-art performance on public embedding benchmarks, questions still arise about what constitutes an effective design for LLM-based embedding models. However, these models are often trained on different datasets, using different LLM base models or training settings. Moreover, evaluations on public embedding benchmarks often fail to report statistical significance, making it difficult to determine which designs truly contribute to final performance. This complicates the process for practitioners seeking optimal training recipes for LLM-based embedding models. In this study, we conduct a large-scale experiment by training a series of LLM-based embedding models using the same training data and base model but differing in their pooling and attention strategies. The results show that there is no one-size-fits-all solution: while bidirectional attention and an additional trainable pooling layer outperform in text similarity and information retrieval tasks, they do not significantly surpass simpler designs like EOS-last token pooling and default causal attention in clustering and classification tasks. Furthermore, we propose a new pooling strategy, Multi-Layers Trainable Pooling, which transforms the outputs of all hidden layers, rather than just the last layer, using a cross-attention network. This method proves to be statistically superior in text similarity and retrieval tasks compared to existing pooling methods. Overall, this paper sheds light on effective training strategies for LLM-based embedding models.

Early stopping monitors global validation loss and halts all parameter updates simultaneously, which is computationally costly for large transformers due to the extended time required for validation inference. We propose GradES, a novel gradient-based early stopping approach that operates within transformer components (attention projections and Feed-Forward layer matrices). We found that different components converge at varying rates during fine-tuning. GradES tracks the magnitude of gradients in backpropagation for these matrices during training. When a projection matrix's gradients fall below a convergence threshold tau, we exclude that projection matrix from further updates individually, eliminating costly validation passes while allowing slow converging matrices to continue learning. By strategically freezing parameters when their gradients converge, GradES speeds up training time by 1.57--7.22times while simultaneously enhancing generalization through early prevention of overfitting, resulting in 1.2% higher average accuracy.

How to reduce compute and memory requirements of neural networks (NNs) without sacrificing performance? Many recent works use sparse Mixtures of Experts (MoEs) to build resource-efficient large language models (LMs). Here we introduce several novel perspectives on MoEs, presenting a general framework that unifies various methods to approximate two-layer NNs (e.g., feedforward blocks of Transformers), including product-key memories (PKMs). Leveraging insights from this framework, we propose methods to improve both MoEs and PKMs. Unlike prior work that compares MoEs with dense baselines under the compute-equal condition, our evaluation condition is parameter-equal, which is crucial to properly evaluate LMs. We show that our MoEs are competitive with the dense Transformer-XL on both the WikiText-103 and enwiki8 datasets at two different scales, while being much more resource efficient. This demonstrates that MoEs are relevant not only to extremely large LMs but also to any-scale resource-efficient LMs. Our code is public.

Image classification is one of the most important areas in computer vision. Hierarchical multi-label classification applies when a multi-class image classification problem is arranged into smaller ones based upon a hierarchy or taxonomy. Thus, hierarchical classification modes generally provide multiple class predictions on each instance, whereby these are expected to reflect the structure of image classes as related to one another. In this paper, we propose a multi-label capsule network (ML-CapsNet) for hierarchical classification. Our ML-CapsNet predicts multiple image classes based on a hierarchical class-label tree structure. To this end, we present a loss function that takes into account the multi-label predictions of the network. As a result, the training approach for our ML-CapsNet uses a coarse to fine paradigm while maintaining consistency with the structure in the classification levels in the label-hierarchy. We also perform experiments using widely available datasets and compare the model with alternatives elsewhere in the literature. In our experiments, our ML-CapsNet yields a margin of improvement with respect to these alternative methods.

Recent advances in efficient sequence modeling have led to attention-free layers, such as Mamba, RWKV, and various gated RNNs, all featuring sub-quadratic complexity in sequence length and excellent scaling properties, enabling the construction of a new type of foundation models. In this paper, we present a unified view of these models, formulating such layers as implicit causal self-attention layers. The formulation includes most of their sub-components and is not limited to a specific part of the architecture. The framework compares the underlying mechanisms on similar grounds for different layers and provides a direct means for applying explainability methods. Our experiments show that our attention matrices and attribution method outperform an alternative and a more limited formulation that was recently proposed for Mamba. For the other architectures for which our method is the first to provide such a view, our method is effective and competitive in the relevant metrics compared to the results obtained by state-of-the-art transformer explainability methods. Our code is publicly available.

From extracting features to generating text, the outputs of large language models (LLMs) typically rely on their final layers, following the conventional wisdom that earlier layers capture only low-level cues. However, our analysis shows that intermediate layers can encode even richer representations, often improving performance on a wide range of downstream tasks. To explain and quantify these hidden-layer properties, we propose a unified framework of representation quality metrics based on information theory, geometry, and invariance to input perturbations. Our framework highlights how each model layer balances information compression and signal preservation, revealing why mid-depth embeddings can exceed the last layer's performance. Through extensive experiments on 32 text-embedding tasks and comparisons across model architectures (transformers, state-space models) and domains (language, vision), we demonstrate that intermediate layers consistently provide stronger features. These findings challenge the standard focus on final-layer embeddings and open new directions for model analysis and optimization, including strategic use of mid-layer representations for more robust and accurate AI systems.

Recent advances in artificial neural networks for machine learning, and language modeling in particular, have established a family of recurrent neural network (RNN) architectures that, unlike conventional RNNs with vector-form hidden states, use two-dimensional (2D) matrix-form hidden states. Such 2D-state RNNs, known as Fast Weight Programmers (FWPs), can be interpreted as a neural network whose synaptic weights (called fast weights) dynamically change over time as a function of input observations, and serve as short-term memory storage; corresponding synaptic weight modifications are controlled or programmed by another network (the programmer) whose parameters are trained (e.g., by gradient descent). In this Primer, we review the technical foundations of FWPs, their computational characteristics, and their connections to transformers and state space models. We also discuss connections between FWPs and models of synaptic plasticity in the brain, suggesting a convergence of natural and artificial intelligence.

Multi-head attention layers, as used in the Transformer neural sequence model, are a powerful alternative to RNNs for moving information across and between sequences. While training these layers is generally fast and simple, due to parallelizability across the length of the sequence, incremental inference (where such paralleization is impossible) is often slow, due to the memory-bandwidth cost of repeatedly loading the large "keys" and "values" tensors. We propose a variant called multi-query attention, where the keys and values are shared across all of the different attention "heads", greatly reducing the size of these tensors and hence the memory bandwidth requirements of incremental decoding. We verify experimentally that the resulting models can indeed be much faster to decode, and incur only minor quality degradation from the baseline.

The ability to learn new concepts continually is necessary in this ever-changing world. However, deep neural networks suffer from catastrophic forgetting when learning new categories. Many works have been proposed to alleviate this phenomenon, whereas most of them either fall into the stability-plasticity dilemma or take too much computation or storage overhead. Inspired by the gradient boosting algorithm to gradually fit the residuals between the target model and the previous ensemble model, we propose a novel two-stage learning paradigm FOSTER, empowering the model to learn new categories adaptively. Specifically, we first dynamically expand new modules to fit the residuals between the target and the output of the original model. Next, we remove redundant parameters and feature dimensions through an effective distillation strategy to maintain the single backbone model. We validate our method FOSTER on CIFAR-100 and ImageNet-100/1000 under different settings. Experimental results show that our method achieves state-of-the-art performance. Code is available at: https://github.com/G-U-N/ECCV22-FOSTER.

Feed-forward layers constitute two-thirds of a transformer model's parameters, yet their role in the network remains under-explored. We show that feed-forward layers in transformer-based language models operate as key-value memories, where each key correlates with textual patterns in the training examples, and each value induces a distribution over the output vocabulary. Our experiments show that the learned patterns are human-interpretable, and that lower layers tend to capture shallow patterns, while upper layers learn more semantic ones. The values complement the keys' input patterns by inducing output distributions that concentrate probability mass on tokens likely to appear immediately after each pattern, particularly in the upper layers. Finally, we demonstrate that the output of a feed-forward layer is a composition of its memories, which is subsequently refined throughout the model's layers via residual connections to produce the final output distribution.

We introduce FFN Fusion, an architectural optimization technique that reduces sequential computation in large language models by identifying and exploiting natural opportunities for parallelization. Our key insight is that sequences of Feed-Forward Network (FFN) layers, particularly those remaining after the removal of specific attention layers, can often be parallelized with minimal accuracy impact. We develop a principled methodology for identifying and fusing such sequences, transforming them into parallel operations that significantly reduce inference latency while preserving model behavior. Applying these techniques to Llama-3.1-405B-Instruct, we create Llama-Nemotron-Ultra-253B-Base (Ultra-253B-Base), an efficient and soon-to-be publicly available model that achieves a 1.71X speedup in inference latency and 35X lower per-token cost while maintaining strong performance across benchmarks. Through extensive experiments on models from 49B to 253B parameters, we demonstrate that FFN Fusion becomes increasingly effective at larger scales and can complement existing optimization techniques like quantization and pruning. Most intriguingly, we find that even full transformer blocks containing both attention and FFN layers can sometimes be parallelized, suggesting new directions for neural architecture design.

In the past few years, neural networks have evolved from simple Feedforward Neural Networks to more complex neural networks, such as Convolutional Neural Networks and Recurrent Neural Networks. Where CNNs are a perfect fit for tasks where the sequence is not important such as image recognition, RNNs are useful when order is important such as machine translation. An increasing number of layers in a neural network is one way to improve its performance, but it also increases its complexity making it much more time and power-consuming to train. One way to tackle this problem is to introduce sparsity in the architecture of the neural network. Pruning is one of the many methods to make a neural network architecture sparse by clipping out weights below a certain threshold while keeping the performance near to the original. Another way is to generate arbitrary structures using random graphs and embed them between an input and output layer of an Artificial Neural Network. Many researchers in past years have focused on pruning mainly CNNs, while hardly any research is done for the same in RNNs. The same also holds in creating sparse architectures for RNNs by generating and embedding arbitrary structures. Therefore, this thesis focuses on investigating the effects of the before-mentioned two techniques on the performance of RNNs. We first describe the pruning of RNNs, its impact on the performance of RNNs, and the number of training epochs required to regain accuracy after the pruning is performed. Next, we continue with the creation and training of Sparse Recurrent Neural Networks and identify the relation between the performance and the graph properties of its underlying arbitrary structure. We perform these experiments on RNN with Tanh nonlinearity (RNN-Tanh), RNN with ReLU nonlinearity (RNN-ReLU), GRU, and LSTM. Finally, we analyze and discuss the results achieved from both the experiments.

The Fon language, spoken by an average 2 million of people, is a truly low-resourced African language, with a limited online presence, and existing datasets (just to name but a few). Multitask learning is a learning paradigm that aims to improve the generalization capacity of a model by sharing knowledge across different but related tasks: this could be prevalent in very data-scarce scenarios. In this paper, we present the first explorative approach to multitask learning, for model capabilities enhancement in Natural Language Processing for the Fon language. Specifically, we explore the tasks of Named Entity Recognition (NER) and Part of Speech Tagging (POS) for Fon. We leverage two language model heads as encoders to build shared representations for the inputs, and we use linear layers blocks for classification relative to each task. Our results on the NER and POS tasks for Fon, show competitive (or better) performances compared to several multilingual pretrained language models finetuned on single tasks. Additionally, we perform a few ablation studies to leverage the efficiency of two different loss combination strategies and find out that the equal loss weighting approach works best in our case. Our code is open-sourced at https://github.com/bonaventuredossou/multitask_fon.

Neural architecture search (NAS) for Graph neural networks (GNNs), called NAS-GNNs, has achieved significant performance over manually designed GNN architectures. However, these methods inherit issues from the conventional NAS methods, such as high computational cost and optimization difficulty. More importantly, previous NAS methods have ignored the uniqueness of GNNs, where GNNs possess expressive power without training. With the randomly-initialized weights, we can then seek the optimal architecture parameters via the sparse coding objective and derive a novel NAS-GNNs method, namely neural architecture coding (NAC). Consequently, our NAC holds a no-update scheme on GNNs and can efficiently compute in linear time. Empirical evaluations on multiple GNN benchmark datasets demonstrate that our approach leads to state-of-the-art performance, which is up to 200times faster and 18.8% more accurate than the strong baselines.

In this paper, we focus on a typical two-phase phenomenon in the learning of multi-layer perceptrons (MLPs), and we aim to explain the reason for the decrease of feature diversity in the first phase. Specifically, people find that, in the training of MLPs, the training loss does not decrease significantly until the second phase. To this end, we further explore the reason why the diversity of features over different samples keeps decreasing in the first phase, which hurts the optimization of MLPs. We explain such a phenomenon in terms of the learning dynamics of MLPs. Furthermore, we theoretically explain why four typical operations can alleviate the decrease of the feature diversity.

It is widely believed that the success of deep convolutional networks is based on progressively discarding uninformative variability about the input with respect to the problem at hand. This is supported empirically by the difficulty of recovering images from their hidden representations, in most commonly used network architectures. In this paper we show via a one-to-one mapping that this loss of information is not a necessary condition to learn representations that generalize well on complicated problems, such as ImageNet. Via a cascade of homeomorphic layers, we build the i-RevNet, a network that can be fully inverted up to the final projection onto the classes, i.e. no information is discarded. Building an invertible architecture is difficult, for one, because the local inversion is ill-conditioned, we overcome this by providing an explicit inverse. An analysis of i-RevNets learned representations suggests an alternative explanation for the success of deep networks by a progressive contraction and linear separation with depth. To shed light on the nature of the model learned by the i-RevNet we reconstruct linear interpolations between natural image representations.

Developing Intelligent Systems involves artificial intelligence approaches including artificial neural networks. Here, we present a tutorial of Deep Neural Networks (DNNs), and some insights about the origin of the term "deep"; references to deep learning are also given. Restricted Boltzmann Machines, which are the core of DNNs, are discussed in detail. An example of a simple two-layer network, performing unsupervised learning for unlabeled data, is shown. Deep Belief Networks (DBNs), which are used to build networks with more than two layers, are also described. Moreover, examples for supervised learning with DNNs performing simple prediction and classification tasks, are presented and explained. This tutorial includes two intelligent pattern recognition applications: hand- written digits (benchmark known as MNIST) and speech recognition.

Deep neural networks have a good success record and are thus viewed as the best architecture choice for complex applications. Their main shortcoming has been, for a long time, the vanishing gradient which prevented the numerical optimization algorithms from acceptable convergence. A breakthrough has been achieved by the concept of residual connections -- an identity mapping parallel to a conventional layer. This concept is applicable to stacks of layers of the same dimension and substantially alleviates the vanishing gradient problem. A stack of residual connection layers can be expressed as an expansion of terms similar to the Taylor expansion. This expansion suggests the possibility of truncating the higher-order terms and receiving an architecture consisting of a single broad layer composed of all initially stacked layers in parallel. In other words, a sequential deep architecture is substituted by a parallel shallow one. Prompted by this theory, we investigated the performance capabilities of the parallel architecture in comparison to the sequential one. The computer vision datasets MNIST and CIFAR10 were used to train both architectures for a total of 6912 combinations of varying numbers of convolutional layers, numbers of filters, kernel sizes, and other meta parameters. Our findings demonstrate a surprising equivalence between the deep (sequential) and shallow (parallel) architectures. Both layouts produced similar results in terms of training and validation set loss. This discovery implies that a wide, shallow architecture can potentially replace a deep network without sacrificing performance. Such substitution has the potential to simplify network architectures, improve optimization efficiency, and accelerate the training process.

Neural-based multi-task learning (MTL) has gained significant improvement, and it has been successfully applied to recommendation system (RS). Recent deep MTL methods for RS (e.g. MMoE, PLE) focus on designing soft gating-based parameter-sharing networks that implicitly learn a generalized representation for each task. However, MTL methods may suffer from performance degeneration when dealing with conflicting tasks, as negative transfer effects can occur on the task-shared bottom representation. This can result in a reduced capacity for MTL methods to capture task-specific characteristics, ultimately impeding their effectiveness and hindering the ability to generalize well on all tasks. In this paper, we focus on the bottom representation learning of MTL in RS and propose the Deep Task-specific Bottom Representation Network (DTRN) to alleviate the negative transfer problem. DTRN obtains task-specific bottom representation explicitly by making each task have its own representation learning network in the bottom representation modeling stage. Specifically, it extracts the user's interests from multiple types of behavior sequences for each task through the parameter-efficient hypernetwork. To further obtain the dedicated representation for each task, DTRN refines the representation of each feature by employing a SENet-like network for each task. The two proposed modules can achieve the purpose of getting task-specific bottom representation to relieve tasks' mutual interference. Moreover, the proposed DTRN is flexible to combine with existing MTL methods. Experiments on one public dataset and one industrial dataset demonstrate the effectiveness of the proposed DTRN.

Sequential fine-tuning and multi-task learning are methods aiming to incorporate knowledge from multiple tasks; however, they suffer from catastrophic forgetting and difficulties in dataset balancing. To address these shortcomings, we propose AdapterFusion, a new two stage learning algorithm that leverages knowledge from multiple tasks. First, in the knowledge extraction stage we learn task specific parameters called adapters, that encapsulate the task-specific information. We then combine the adapters in a separate knowledge composition step. We show that by separating the two stages, i.e., knowledge extraction and knowledge composition, the classifier can effectively exploit the representations learned from multiple tasks in a non-destructive manner. We empirically evaluate AdapterFusion on 16 diverse NLU tasks, and find that it effectively combines various types of knowledge at different layers of the model. We show that our approach outperforms traditional strategies such as full fine-tuning as well as multi-task learning. Our code and adapters are available at AdapterHub.ml.

In recent years, significant efforts have been directed toward adapting modern neural network architectures for tabular data. However, despite their larger number of parameters and longer training and inference times, these models often fail to consistently outperform vanilla multilayer perceptron (MLP) neural networks. Moreover, MLP-based ensembles have recently demonstrated superior performance and efficiency compared to advanced deep learning methods. Therefore, rather than focusing on building deeper and more complex deep learning models, we propose investigating whether MLP neural networks can be replaced with more efficient architectures without sacrificing performance. In this paper, we first introduce GG MoE, a mixture-of-experts (MoE) model with a Gumbel-Softmax gating function. We then demonstrate that GG MoE with an embedding layer achieves the highest performance across 38 datasets compared to standard MoE and MLP models. Finally, we show that both MoE and GG MoE utilize significantly fewer parameters than MLPs, making them a promising alternative for scaling and ensemble methods.

The quadratic computational complexity in the self-attention mechanism of popular transformer architectures poses significant challenges for training and inference, particularly in terms of efficiency and memory requirements. Towards addressing these challenges, this paper introduces a novel fast computation method for gradient calculation in multi-layer transformer models. Our approach enables the computation of gradients for the entire multi-layer transformer model in almost linear time n^{1+o(1)}, where n is the input sequence length. This breakthrough significantly reduces the computational bottleneck associated with the traditional quadratic time complexity. Our theory holds for any loss function and maintains a bounded approximation error across the entire model. Furthermore, our analysis can hold when the multi-layer transformer model contains many practical sub-modules, such as residual connection, casual mask, and multi-head attention. By improving the efficiency of gradient computation in large language models, we hope that our work will facilitate the more effective training and deployment of long-context language models based on our theoretical results.

PixelCNNs are a recently proposed class of powerful generative models with tractable likelihood. Here we discuss our implementation of PixelCNNs which we make available at https://github.com/openai/pixel-cnn. Our implementation contains a number of modifications to the original model that both simplify its structure and improve its performance. 1) We use a discretized logistic mixture likelihood on the pixels, rather than a 256-way softmax, which we find to speed up training. 2) We condition on whole pixels, rather than R/G/B sub-pixels, simplifying the model structure. 3) We use downsampling to efficiently capture structure at multiple resolutions. 4) We introduce additional short-cut connections to further speed up optimization. 5) We regularize the model using dropout. Finally, we present state-of-the-art log likelihood results on CIFAR-10 to demonstrate the usefulness of these modifications.

In the past decade, advances in deep learning have resulted in breakthroughs in a variety of areas, including computer vision, natural language understanding, speech recognition, and reinforcement learning. Specialized, high-performing neural architectures are crucial to the success of deep learning in these areas. Neural architecture search (NAS), the process of automating the design of neural architectures for a given task, is an inevitable next step in automating machine learning and has already outpaced the best human-designed architectures on many tasks. In the past few years, research in NAS has been progressing rapidly, with over 1000 papers released since 2020 (Deng and Lindauer, 2021). In this survey, we provide an organized and comprehensive guide to neural architecture search. We give a taxonomy of search spaces, algorithms, and speedup techniques, and we discuss resources such as benchmarks, best practices, other surveys, and open-source libraries.

In this work we revisit the most fundamental building block in deep learning, the multi-layer perceptron (MLP), and study the limits of its performance on vision tasks. Empirical insights into MLPs are important for multiple reasons. (1) Given the recent narrative "less inductive bias is better", popularized due to transformers eclipsing convolutional models, it is natural to explore the limits of this hypothesis. To that end, MLPs offer an ideal test bed, being completely free of any inductive bias. (2) MLPs have almost exclusively been the main protagonist in the deep learning theory literature due to their mathematical simplicity, serving as a proxy to explain empirical phenomena observed for more complex architectures. Surprisingly, experimental datapoints for MLPs are very difficult to find in the literature, especially when coupled with large pre-training protocols. This discrepancy between practice and theory is worrying: Do MLPs reflect the empirical advances exhibited by practical models? Or do theorists need to rethink the role of MLPs as a proxy? We provide insights into both these aspects. We show that the performance of MLPs drastically improves with scale (93% on CIFAR10, 79% on CIFAR100, 69% on TinyImageNet), highlighting that lack of inductive bias can indeed be compensated. We observe that MLPs mimic the behaviour of their modern counterparts faithfully, with some components in the learning setting however surprisingly exhibiting stronger or unexpected behaviours. Due to their inherent computational efficiency, large pre-training experiments become more accessible for academic researchers. All of our experiments were run on a single GPU.

This paper describes the architecture and systems built towards solving the SemEval 2023 Task 2: MultiCoNER II (Multilingual Complex Named Entity Recognition) [1]. We evaluate two approaches (a) a traditional Conditional Random Fields model and (b) a Large Language Model (LLM) fine-tuned with a customized head and compare the two approaches. The novel ideas explored are: 1) Decaying auxiliary loss (with residual) - where we train the model on an auxiliary task of Coarse-Grained NER and include this task as a part of the loss function 2) Triplet token blending - where we explore ways of blending the embeddings of neighboring tokens in the final NER layer prior to prediction 3) Task-optimal heads - where we explore a variety of custom heads and learning rates for the final layer of the LLM. We also explore multiple LLMs including GPT-3 and experiment with a variety of dropout and other hyperparameter settings before arriving at our final model which achieves micro & macro f1 of 0.85/0.84 (on dev) and 0.67/0.61 on the test data . We show that while pre-trained LLMs, by themselves, bring about a large improvement in scores as compared to traditional models, we also demonstrate that tangible improvements to the Macro-F1 score can be made by augmenting the LLM with additional feature/loss/model engineering techniques described above.

Sentence-level representations are necessary for various NLP tasks. Recurrent neural networks have proven to be very effective in learning distributed representations and can be trained efficiently on natural language inference tasks. We build on top of one such model and propose a hierarchy of BiLSTM and max pooling layers that implements an iterative refinement strategy and yields state of the art results on the SciTail dataset as well as strong results for SNLI and MultiNLI. We can show that the sentence embeddings learned in this way can be utilized in a wide variety of transfer learning tasks, outperforming InferSent on 7 out of 10 and SkipThought on 8 out of 9 SentEval sentence embedding evaluation tasks. Furthermore, our model beats the InferSent model in 8 out of 10 recently published SentEval probing tasks designed to evaluate sentence embeddings' ability to capture some of the important linguistic properties of sentences.

Convolutional Neural Networks (CNNs) have revolutionized image classification by extracting spatial features and enabling state-of-the-art accuracy in vision-based tasks. The squeeze and excitation network proposed module gathers channelwise representations of the input. Multilayer perceptrons (MLP) learn global representation from the data and in most image classification models used to learn extracted features of the image. In this paper, we introduce a novel aggregated multilayer perceptron, a multi-branch dense layer, within the Squeeze excitation residual module designed to surpass the performance of existing architectures. Our approach leverages a combination of squeeze excitation network module with dense layers. This fusion enhances the network's ability to capture channel-wise patterns and have global knowledge, leading to a better feature representation. This proposed model has a negligible increase in parameters when compared to SENet. We conduct extensive experiments on benchmark datasets to validate the model and compare them with established architectures. Experimental results demonstrate a remarkable increase in the classification accuracy of the proposed model.

State-of-the-art LLMs often rely on scale with high computational costs, which has sparked a research agenda to reduce parameter counts and costs without significantly impacting performance. Our study focuses on Transformer-based LLMs, specifically applying low-rank parametrization to the computationally intensive feedforward networks (FFNs), which are less studied than attention blocks. In contrast to previous works, (i) we explore low-rank parametrization at scale, up to 1.3B parameters; (ii) within Transformer language models rather than convolutional architectures; and (iii) starting from training from scratch. Experiments on the large RefinedWeb dataset show that low-rank parametrization is both efficient (e.g., 2.6times FFN speed-up with 32\% parameters) and effective during training. Interestingly, these structured FFNs exhibit steeper scaling curves than the original models. Motivated by this finding, we develop the wide and structured networks surpassing the current medium-sized and large-sized Transformer in perplexity and throughput performance. Our code is available at https://github.com/CLAIRE-Labo/StructuredFFN/tree/main.

Recent progress on Transformers and multi-layer perceptron (MLP) models provide new network architectural designs for computer vision tasks. Although these models proved to be effective in many vision tasks such as image recognition, there remain challenges in adapting them for low-level vision. The inflexibility to support high-resolution images and limitations of local attention are perhaps the main bottlenecks. In this work, we present a multi-axis MLP based architecture called MAXIM, that can serve as an efficient and flexible general-purpose vision backbone for image processing tasks. MAXIM uses a UNet-shaped hierarchical structure and supports long-range interactions enabled by spatially-gated MLPs. Specifically, MAXIM contains two MLP-based building blocks: a multi-axis gated MLP that allows for efficient and scalable spatial mixing of local and global visual cues, and a cross-gating block, an alternative to cross-attention, which accounts for cross-feature conditioning. Both these modules are exclusively based on MLPs, but also benefit from being both global and `fully-convolutional', two properties that are desirable for image processing. Our extensive experimental results show that the proposed MAXIM model achieves state-of-the-art performance on more than ten benchmarks across a range of image processing tasks, including denoising, deblurring, deraining, dehazing, and enhancement while requiring fewer or comparable numbers of parameters and FLOPs than competitive models. The source code and trained models will be available at https://github.com/google-research/maxim.

We present trellis networks, a new architecture for sequence modeling. On the one hand, a trellis network is a temporal convolutional network with special structure, characterized by weight tying across depth and direct injection of the input into deep layers. On the other hand, we show that truncated recurrent networks are equivalent to trellis networks with special sparsity structure in their weight matrices. Thus trellis networks with general weight matrices generalize truncated recurrent networks. We leverage these connections to design high-performing trellis networks that absorb structural and algorithmic elements from both recurrent and convolutional models. Experiments demonstrate that trellis networks outperform the current state of the art methods on a variety of challenging benchmarks, including word-level language modeling and character-level language modeling tasks, and stress tests designed to evaluate long-term memory retention. The code is available at https://github.com/locuslab/trellisnet .

Our theoretical understanding of the inner workings of general convolutional neural networks (CNN) is limited. We here present a new stepping stone towards such understanding in the form of a theory of learning in linear CNNs. By analyzing the gradient descent equations, we discover that using convolutions leads to a mismatch between the dataset structure and the network structure. We show that linear CNNs discover the statistical structure of the dataset with non-linear, stage-like transitions, and that the speed of discovery changes depending on this structural mismatch. Moreover, we find that the mismatch lies at the heart of what we call the 'dominant frequency bias', where linear CNNs arrive at these discoveries using only the dominant frequencies of the different structural parts present in the dataset. Our findings can help explain several characteristics of general CNNs, such as their shortcut learning and their tendency to rely on texture instead of shape.

Attention layers -- which map a sequence of inputs to a sequence of outputs -- are core building blocks of the Transformer architecture which has achieved significant breakthroughs in modern artificial intelligence. This paper presents a rigorous theoretical study on the learning and generalization of a single multi-head attention layer, with a sequence of key vectors and a separate query vector as input. We consider the random feature setting where the attention layer has a large number of heads, with randomly sampled frozen query and key matrices, and trainable value matrices. We show that such a random-feature attention layer can express a broad class of target functions that are permutation invariant to the key vectors. We further provide quantitative excess risk bounds for learning these target functions from finite samples, using random feature attention with finitely many heads. Our results feature several implications unique to the attention structure compared with existing random features theory for neural networks, such as (1) Advantages in the sample complexity over standard two-layer random-feature networks; (2) Concrete and natural classes of functions that can be learned efficiently by a random-feature attention layer; and (3) The effect of the sampling distribution of the query-key weight matrix (the product of the query and key matrix), where Gaussian random weights with a non-zero mean result in better sample complexities over the zero-mean counterpart for learning certain natural target functions. Experiments on simulated data corroborate our theoretical findings and further illustrate the interplay between the sample size and the complexity of the target function.

Modern deep neural networks have achieved impressive performance on tasks from image classification to natural language processing. Surprisingly, these complex systems with massive amounts of parameters exhibit the same structural properties in their last-layer features and classifiers across canonical datasets when training until convergence. In particular, it has been observed that the last-layer features collapse to their class-means, and those class-means are the vertices of a simplex Equiangular Tight Frame (ETF). This phenomenon is known as Neural Collapse (NC). Recent papers have theoretically shown that NC emerges in the global minimizers of training problems with the simplified "unconstrained feature model". In this context, we take a step further and prove the NC occurrences in deep linear networks for the popular mean squared error (MSE) and cross entropy (CE) losses, showing that global solutions exhibit NC properties across the linear layers. Furthermore, we extend our study to imbalanced data for MSE loss and present the first geometric analysis of NC under bias-free setting. Our results demonstrate the convergence of the last-layer features and classifiers to a geometry consisting of orthogonal vectors, whose lengths depend on the amount of data in their corresponding classes. Finally, we empirically validate our theoretical analyses on synthetic and practical network architectures with both balanced and imbalanced scenarios.

We present hyper-connections, a simple yet effective method that can serve as an alternative to residual connections. This approach specifically addresses common drawbacks observed in residual connection variants, such as the seesaw effect between gradient vanishing and representation collapse. Theoretically, hyper-connections allow the network to adjust the strength of connections between features at different depths and dynamically rearrange layers. We conduct experiments focusing on the pre-training of large language models, including dense and sparse models, where hyper-connections show significant performance improvements over residual connections. Additional experiments conducted on vision tasks also demonstrate similar improvements. We anticipate that this method will be broadly applicable and beneficial across a wide range of AI problems.

We present Neural Attention Search (NAtS), a framework that automatically evaluates the importance of each token within a sequence and determines if the corresponding token can be dropped after several steps. This approach can efficiently reduce the KV cache sizes required by transformer-based models during inference and thus reduce inference costs. In this paper, we design a search space that contains three token types: (i) Global Tokens will be preserved and queried by all the following tokens. (ii) Local Tokens survive until the next global token appears. (iii) Sliding Window Tokens have an impact on the inference of a fixed size of the next following tokens. Similar to the One-Shot Neural Architecture Search approach, this token-type information can be learned jointly with the architecture weights via a learnable attention mask. Experiments on both training a new transformer from scratch and fine-tuning existing large language models show that NAtS can efficiently reduce the KV cache size required for the models while maintaining the models' performance.

This paper introduces Bayesian Flow Networks (BFNs), a new class of generative model in which the parameters of a set of independent distributions are modified with Bayesian inference in the light of noisy data samples, then passed as input to a neural network that outputs a second, interdependent distribution. Starting from a simple prior and iteratively updating the two distributions yields a generative procedure similar to the reverse process of diffusion models; however it is conceptually simpler in that no forward process is required. Discrete and continuous-time loss functions are derived for continuous, discretised and discrete data, along with sample generation procedures. Notably, the network inputs for discrete data lie on the probability simplex, and are therefore natively differentiable, paving the way for gradient-based sample guidance and few-step generation in discrete domains such as language modelling. The loss function directly optimises data compression and places no restrictions on the network architecture. In our experiments BFNs achieve competitive log-likelihoods for image modelling on dynamically binarized MNIST and CIFAR-10, and outperform all known discrete diffusion models on the text8 character-level language modelling task.

Transformers have become the de-facto standard model in artificial intelligence since 2017 despite numerous shortcomings ranging from energy inefficiency to hallucinations. Research has made a lot of progress in improving elements of transformers, and, more generally, deep learning manifesting in many proposals for architectures, layers, optimization objectives, and optimization techniques. For researchers it is difficult to keep track of such developments on a broader level. We provide a comprehensive overview of the many important, recent works in these areas to those who already have a basic understanding of deep learning. Our focus differs from other works, as we target specifically novel, alternative potentially disruptive approaches to transformers as well as successful ideas of recent deep learning. We hope that such a holistic and unified treatment of influential, recent works and novel ideas helps researchers to form new connections between diverse areas of deep learning. We identify and discuss multiple patterns that summarize the key strategies for successful innovations over the last decade as well as works that can be seen as rising stars. Especially, we discuss attempts on how to improve on transformers covering (partially) proven methods such as state space models but also including far-out ideas in deep learning that seem promising despite not achieving state-of-the-art results. We also cover a discussion on recent state-of-the-art models such as OpenAI's GPT series and Meta's LLama models and, Google's Gemini model family.

The aim of this paper is to introduce a new learning procedure for neural networks and to demonstrate that it works well enough on a few small problems to be worth further investigation. The Forward-Forward algorithm replaces the forward and backward passes of backpropagation by two forward passes, one with positive (i.e. real) data and the other with negative data which could be generated by the network itself. Each layer has its own objective function which is simply to have high goodness for positive data and low goodness for negative data. The sum of the squared activities in a layer can be used as the goodness but there are many other possibilities, including minus the sum of the squared activities. If the positive and negative passes could be separated in time, the negative passes could be done offline, which would make the learning much simpler in the positive pass and allow video to be pipelined through the network without ever storing activities or stopping to propagate derivatives.

Understanding neural networks is challenging in part because of the dense, continuous nature of their hidden states. We explore whether we can train neural networks to have hidden states that are sparse, discrete, and more interpretable by quantizing their continuous features into what we call codebook features. Codebook features are produced by finetuning neural networks with vector quantization bottlenecks at each layer, producing a network whose hidden features are the sum of a small number of discrete vector codes chosen from a larger codebook. Surprisingly, we find that neural networks can operate under this extreme bottleneck with only modest degradation in performance. This sparse, discrete bottleneck also provides an intuitive way of controlling neural network behavior: first, find codes that activate when the desired behavior is present, then activate those same codes during generation to elicit that behavior. We validate our approach by training codebook Transformers on several different datasets. First, we explore a finite state machine dataset with far more hidden states than neurons. In this setting, our approach overcomes the superposition problem by assigning states to distinct codes, and we find that we can make the neural network behave as if it is in a different state by activating the code for that state. Second, we train Transformer language models with up to 410M parameters on two natural language datasets. We identify codes in these models representing diverse, disentangled concepts (ranging from negative emotions to months of the year) and find that we can guide the model to generate different topics by activating the appropriate codes during inference. Overall, codebook features appear to be a promising unit of analysis and control for neural networks and interpretability. Our codebase and models are open-sourced at https://github.com/taufeeque9/codebook-features.

Learned representations are a central component in modern ML systems, serving a multitude of downstream tasks. When training such representations, it is often the case that computational and statistical constraints for each downstream task are unknown. In this context rigid, fixed capacity representations can be either over or under-accommodating to the task at hand. This leads us to ask: can we design a flexible representation that can adapt to multiple downstream tasks with varying computational resources? Our main contribution is Matryoshka Representation Learning (MRL) which encodes information at different granularities and allows a single embedding to adapt to the computational constraints of downstream tasks. MRL minimally modifies existing representation learning pipelines and imposes no additional cost during inference and deployment. MRL learns coarse-to-fine representations that are at least as accurate and rich as independently trained low-dimensional representations. The flexibility within the learned Matryoshka Representations offer: (a) up to 14x smaller embedding size for ImageNet-1K classification at the same level of accuracy; (b) up to 14x real-world speed-ups for large-scale retrieval on ImageNet-1K and 4K; and (c) up to 2% accuracy improvements for long-tail few-shot classification, all while being as robust as the original representations. Finally, we show that MRL extends seamlessly to web-scale datasets (ImageNet, JFT) across various modalities -- vision (ViT, ResNet), vision + language (ALIGN) and language (BERT). MRL code and pretrained models are open-sourced at https://github.com/RAIVNLab/MRL.

We consider using deep neural networks to solve time-dependent partial differential equations (PDEs), where multi-scale processing is crucial for modeling complex, time-evolving dynamics. While the U-Net architecture with skip connections is commonly used by prior studies to enable multi-scale processing, our analysis shows that the need for features to evolve across layers results in temporally misaligned features in skip connections, which limits the model's performance. To address this limitation, we propose SineNet, consisting of multiple sequentially connected U-shaped network blocks, referred to as waves. In SineNet, high-resolution features are evolved progressively through multiple stages, thereby reducing the amount of misalignment within each stage. We furthermore analyze the role of skip connections in enabling both parallel and sequential processing of multi-scale information. Our method is rigorously tested on multiple PDE datasets, including the Navier-Stokes equations and shallow water equations, showcasing the advantages of our proposed approach over conventional U-Nets with a comparable parameter budget. We further demonstrate that increasing the number of waves in SineNet while maintaining the same number of parameters leads to a monotonically improved performance. The results highlight the effectiveness of SineNet and the potential of our approach in advancing the state-of-the-art in neural PDE solver design. Our code is available as part of AIRS (https://github.com/divelab/AIRS).

Neural networks, particularly Transformer-based architectures, have achieved significant performance improvements on several retrieval benchmarks. When the items being retrieved are documents, the time and memory cost of employing Transformers over a full sequence of document terms can be prohibitive. A popular strategy involves considering only the first n terms of the document. This can, however, result in a biased system that under retrieves longer documents. In this work, we propose a local self-attention which considers a moving window over the document terms and for each term attends only to other terms in the same window. This local attention incurs a fraction of the compute and memory cost of attention over the whole document. The windowed approach also leads to more compact packing of padded documents in minibatches resulting in additional savings. We also employ a learned saturation function and a two-staged pooling strategy to identify relevant regions of the document. The Transformer-Kernel pooling model with these changes can efficiently elicit relevance information from documents with thousands of tokens. We benchmark our proposed modifications on the document ranking task from the TREC 2019 Deep Learning track and observe significant improvements in retrieval quality as well as increased retrieval of longer documents at moderate increase in compute and memory costs.