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SubscribeActivation Space Selectable Kolmogorov-Arnold Networks
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.
Kolmogorov-Arnold Convolutions: Design Principles and Empirical Studies
The emergence of Kolmogorov-Arnold Networks (KANs) has sparked significant interest and debate within the scientific community. This paper explores the application of KANs in the domain of computer vision (CV). We examine the convolutional version of KANs, considering various nonlinearity options beyond splines, such as Wavelet transforms and a range of polynomials. We propose a parameter-efficient design for Kolmogorov-Arnold convolutional layers and a parameter-efficient finetuning algorithm for pre-trained KAN models, as well as KAN convolutional versions of self-attention and focal modulation layers. We provide empirical evaluations conducted on MNIST, CIFAR10, CIFAR100, Tiny ImageNet, ImageNet1k, and HAM10000 datasets for image classification tasks. Additionally, we explore segmentation tasks, proposing U-Net-like architectures with KAN convolutions, and achieving state-of-the-art results on BUSI, GlaS, and CVC datasets. We summarized all of our findings in a preliminary design guide of KAN convolutional models for computer vision tasks. Furthermore, we investigate regularization techniques for KANs. All experimental code and implementations of convolutional layers and models, pre-trained on ImageNet1k weights are available on GitHub via this https://github.com/IvanDrokin/torch-conv-kan
Residual Kolmogorov-Arnold Network for Enhanced Deep Learning
Despite their immense success, deep convolutional neural networks (CNNs) can be difficult to optimize and costly to train due to hundreds of layers within the network depth. Conventional convolutional operations are fundamentally limited by their linear nature along with fixed activations, where many layers are needed to learn meaningful patterns in data. Because of the sheer size of these networks, this approach is simply computationally inefficient, and poses overfitting or gradient explosion risks, especially in small datasets. As a result, we introduce a "plug-in" module, called Residual Kolmogorov-Arnold Network (RKAN). Our module is highly compact, so it can be easily added into any stage (level) of traditional deep networks, where it learns to integrate supportive polynomial feature transformations to existing convolutional frameworks. RKAN offers consistent improvements over baseline models in different vision tasks and widely tested benchmarks, accomplishing cutting-edge performance on them.
Kolmogorov-Arnold Network Autoencoders
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.
Kolmogorov-Arnold Attention: Is Learnable Attention Better For Vision Transformers?
Kolmogorov-Arnold networks (KANs) are a remarkable innovation consisting of learnable activation functions with the potential to capture more complex relationships from data. Although KANs are useful in finding symbolic representations and continual learning of one-dimensional functions, their effectiveness in diverse machine learning (ML) tasks, such as vision, remains questionable. Presently, KANs are deployed by replacing multilayer perceptrons (MLPs) in deep network architectures, including advanced architectures such as vision Transformers (ViTs). In this paper, we are the first to design a general learnable Kolmogorov-Arnold Attention (KArAt) for vanilla ViTs that can operate on any choice of basis. However, the computing and memory costs of training them motivated us to propose a more modular version, and we designed particular learnable attention, called Fourier-KArAt. Fourier-KArAt and its variants either outperform their ViT counterparts or show comparable performance on CIFAR-10, CIFAR-100, and ImageNet-1K datasets. We dissect these architectures' performance and generalization capacity by analyzing their loss landscapes, weight distributions, optimizer path, attention visualization, and spectral behavior, and contrast them with vanilla ViTs. The goal of this paper is not to produce parameter- and compute-efficient attention, but to encourage the community to explore KANs in conjunction with more advanced architectures that require a careful understanding of learnable activations. Our open-source code and implementation details are available on: https://subhajitmaity.me/KArAt
KAN: Kolmogorov-Arnold Networks
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.
MetaCluster: Enabling Deep Compression of Kolmogorov-Arnold Network
Kolmogorov-Arnold Networks (KANs) replace scalar weights with per-edge vectors of basis coefficients, thereby boosting expressivity and accuracy but at the same time resulting in a multiplicative increase in parameters and memory. We propose MetaCluster, a framework that makes KANs highly compressible without sacrificing accuracy. Specifically, a lightweight meta-learner, trained jointly with the KAN, is used to map low-dimensional embedding to coefficient vectors, shaping them to lie on a low-dimensional manifold that is amenable to clustering. We then run K-means in coefficient space and replace per-edge vectors with shared centroids. Afterwards, the meta-learner can be discarded, and a brief fine-tuning of the centroid codebook recovers any residual accuracy loss. The resulting model stores only a small codebook and per-edge indices, exploiting the vector nature of KAN parameters to amortize storage across multiple coefficients. On MNIST, CIFAR-10, and CIFAR-100, across standard KANs and ConvKANs using multiple basis functions, MetaCluster achieves a reduction of up to 80times in parameter storage, with no loss in accuracy. Code will be released upon publication.
MatrixKAN: Parallelized Kolmogorov-Arnold Network
Kolmogorov-Arnold Networks (KAN) are a new class of neural network architecture representing a promising alternative to the Multilayer Perceptron (MLP), demonstrating improved expressiveness and interpretability. However, KANs suffer from slow training and inference speeds relative to MLPs due in part to the recursive nature of the underlying B-spline calculations. This issue is particularly apparent with respect to KANs utilizing high-degree B-splines, as the number of required non-parallelizable recursions is proportional to B-spline degree. We solve this issue by proposing MatrixKAN, a novel optimization that parallelizes B-spline calculations with matrix representation and operations, thus significantly improving effective computation time for models utilizing high-degree B-splines. In this paper, we demonstrate the superior scaling of MatrixKAN's computation time relative to B-spline degree. Further, our experiments demonstrate speedups of approximately 40x relative to KAN, with significant additional speedup potential for larger datasets or higher spline degrees.
Implicit Neural Representations with Fourier Kolmogorov-Arnold Networks
Implicit neural representations (INRs) use neural networks to provide continuous and resolution-independent representations of complex signals with a small number of parameters. However, existing INR models often fail to capture important frequency components specific to each task. To address this issue, in this paper, we propose a Fourier Kolmogorov Arnold network (FKAN) for INRs. The proposed FKAN utilizes learnable activation functions modeled as Fourier series in the first layer to effectively control and learn the task-specific frequency components. In addition, the activation functions with learnable Fourier coefficients improve the ability of the network to capture complex patterns and details, which is beneficial for high-resolution and high-dimensional data. Experimental results show that our proposed FKAN model outperforms three state-of-the-art baseline schemes, and improves the peak signal-to-noise ratio (PSNR) and structural similarity index measure (SSIM) for the image representation task and intersection over union (IoU) for the 3D occupancy volume representation task, respectively.
AF-KAN: Activation Function-Based Kolmogorov-Arnold Networks for Efficient Representation Learning
Kolmogorov-Arnold Networks (KANs) have inspired numerous works exploring their applications across a wide range of scientific problems, with the potential to replace Multilayer Perceptrons (MLPs). While many KANs are designed using basis and polynomial functions, such as B-splines, ReLU-KAN utilizes a combination of ReLU functions to mimic the structure of B-splines and take advantage of ReLU's speed. However, ReLU-KAN is not built for multiple inputs, and its limitations stem from ReLU's handling of negative values, which can restrict feature extraction. To address these issues, we introduce Activation Function-Based Kolmogorov-Arnold Networks (AF-KAN), expanding ReLU-KAN with various activations and their function combinations. This novel KAN also incorporates parameter reduction methods, primarily attention mechanisms and data normalization, to enhance performance on image classification datasets. We explore different activation functions, function combinations, grid sizes, and spline orders to validate the effectiveness of AF-KAN and determine its optimal configuration. In the experiments, AF-KAN significantly outperforms MLP, ReLU-KAN, and other KANs with the same parameter count. It also remains competitive even when using fewer than 6 to 10 times the parameters while maintaining the same network structure. However, AF-KAN requires a longer training time and consumes more FLOPs. The repository for this work is available at https://github.com/hoangthangta/All-KAN.
Kolmogorov-Arnold Fourier Networks
Although Kolmogorov-Arnold based interpretable networks (KAN) have strong theoretical expressiveness, they face significant parameter explosion and high-frequency feature capture challenges in high-dimensional tasks. To address this issue, we propose the Kolmogorov-Arnold-Fourier Network (KAF), which effectively integrates trainable Random Fourier Features (RFF) and a novel hybrid GELU-Fourier activation mechanism to balance parameter efficiency and spectral representation capabilities. Our key technical contributions include: (1) merging KAN's dual-matrix structure through matrix association properties to substantially reduce parameters; (2) introducing learnable RFF initialization strategies to eliminate spectral distortion in high-dimensional approximation tasks; (3) implementing an adaptive hybrid activation function that progressively enhances frequency representation during the training process. Comprehensive experiments demonstrate the superiority of our KAF across various domains including vision, NLP, audio processing, and differential equation-solving tasks, effectively combining theoretical interpretability with practical utility and computational efficiency.
KAN You See It? KANs and Sentinel for Effective and Explainable Crop Field Segmentation
Segmentation of crop fields is essential for enhancing agricultural productivity, monitoring crop health, and promoting sustainable practices. Deep learning models adopted for this task must ensure accurate and reliable predictions to avoid economic losses and environmental impact. The newly proposed Kolmogorov-Arnold networks (KANs) offer promising advancements in the performance of neural networks. This paper analyzes the integration of KAN layers into the U-Net architecture (U-KAN) to segment crop fields using Sentinel-2 and Sentinel-1 satellite images and provides an analysis of the performance and explainability of these networks. Our findings indicate a 2\% improvement in IoU compared to the traditional full-convolutional U-Net model in fewer GFLOPs. Furthermore, gradient-based explanation techniques show that U-KAN predictions are highly plausible and that the network has a very high ability to focus on the boundaries of cultivated areas rather than on the areas themselves. The per-channel relevance analysis also reveals that some channels are irrelevant to this task.
Kolmogorov-Arnold Transformer
Transformers stand as the cornerstone of mordern deep learning. Traditionally, these models rely on multi-layer perceptron (MLP) layers to mix the information between channels. In this paper, we introduce the Kolmogorov-Arnold Transformer (KAT), a novel architecture that replaces MLP layers with Kolmogorov-Arnold Network (KAN) layers to enhance the expressiveness and performance of the model. Integrating KANs into transformers, however, is no easy feat, especially when scaled up. Specifically, we identify three key challenges: (C1) Base function. The standard B-spline function used in KANs is not optimized for parallel computing on modern hardware, resulting in slower inference speeds. (C2) Parameter and Computation Inefficiency. KAN requires a unique function for each input-output pair, making the computation extremely large. (C3) Weight initialization. The initialization of weights in KANs is particularly challenging due to their learnable activation functions, which are critical for achieving convergence in deep neural networks. To overcome the aforementioned challenges, we propose three key solutions: (S1) Rational basis. We replace B-spline functions with rational functions to improve compatibility with modern GPUs. By implementing this in CUDA, we achieve faster computations. (S2) Group KAN. We share the activation weights through a group of neurons, to reduce the computational load without sacrificing performance. (S3) Variance-preserving initialization. We carefully initialize the activation weights to make sure that the activation variance is maintained across layers. With these designs, KAT scales effectively and readily outperforms traditional MLP-based transformers.
FlashKAT: Understanding and Addressing Performance Bottlenecks in the Kolmogorov-Arnold Transformer
The Kolmogorov-Arnold Network (KAN) has been gaining popularity as an alternative to the multi-layer perceptron (MLP) with its increased expressiveness and interpretability. However, the KAN can be orders of magnitude slower due to its increased computational cost and training instability, limiting its applicability to larger-scale tasks. Recently, the Kolmogorov-Arnold Transformer (KAT) has been proposed, which can achieve FLOPs similar to the traditional Transformer with MLPs by leveraging Group-Rational KAN (GR-KAN). Unfortunately, despite the comparable FLOPs, our characterizations reveal that the KAT is still 123x slower in training speeds, indicating that there are other performance bottlenecks beyond FLOPs. In this paper, we conduct a series of experiments to understand the root cause of the slowdown in KAT. We uncover that the slowdown can be isolated to memory stalls and, more specifically, in the backward pass of GR-KAN caused by inefficient gradient accumulation. To address this memory bottleneck, we propose FlashKAT, which builds on our restructured kernel that minimizes gradient accumulation with atomic adds and accesses to slow memory. Evaluations demonstrate that FlashKAT can achieve a training speedup of 86.5x compared with the state-of-the-art KAT, while reducing rounding errors in the coefficient gradients. Our code is available at https://github.com/OSU-STARLAB/FlashKAT.
Initial Investigation of Kolmogorov-Arnold Networks (KANs) as Feature Extractors for IMU Based Human Activity Recognition
In this work, we explore the use of a novel neural network architecture, the Kolmogorov-Arnold Networks (KANs) as feature extractors for sensor-based (specifically IMU) Human Activity Recognition (HAR). Where conventional networks perform a parameterized weighted sum of the inputs at each node and then feed the result into a statically defined nonlinearity, KANs perform non-linear computations represented by B-SPLINES on the edges leading to each node and then just sum up the inputs at the node. Instead of learning weights, the system learns the spline parameters. In the original work, such networks have been shown to be able to more efficiently and exactly learn sophisticated real valued functions e.g. in regression or PDE solution. We hypothesize that such an ability is also advantageous for computing low-level features for IMU-based HAR. To this end, we have implemented KAN as the feature extraction architecture for IMU-based human activity recognition tasks, including four architecture variations. We present an initial performance investigation of the KAN feature extractor on four public HAR datasets. It shows that the KAN-based feature extractor outperforms CNN-based extractors on all datasets while being more parameter efficient.
ViKANformer: Embedding Kolmogorov Arnold Networks in Vision Transformers for Pattern-Based Learning
Vision Transformers (ViTs) have significantly advanced image classification by applying self-attention on patch embeddings. However, the standard MLP blocks in each Transformer layer may not capture complex nonlinear dependencies optimally. In this paper, we propose ViKANformer, a Vision Transformer where we replace the MLP sub-layers with Kolmogorov-Arnold Network (KAN) expansions, including Vanilla KAN, Efficient-KAN, Fast-KAN, SineKAN, and FourierKAN, while also examining a Flash Attention variant. By leveraging the Kolmogorov-Arnold theorem, which guarantees that multivariate continuous functions can be expressed via sums of univariate continuous functions, we aim to boost representational power. Experimental results on MNIST demonstrate that SineKAN, Fast-KAN, and a well-tuned Vanilla KAN can achieve over 97% accuracy, albeit with increased training overhead. This trade-off highlights that KAN expansions may be beneficial if computational cost is acceptable. We detail the expansions, present training/test accuracy and F1/ROC metrics, and provide pseudocode and hyperparameters for reproducibility. Finally, we compare ViKANformer to a simple MLP and a small CNN baseline on MNIST, illustrating the efficiency of Transformer-based methods even on a small-scale dataset.
BSRBF-KAN: A combination of B-splines and Radial Basis Functions in Kolmogorov-Arnold Networks
In this paper, we introduce BSRBF-KAN, a Kolmogorov Arnold Network (KAN) that combines B-splines and radial basis functions (RBFs) to fit input vectors during data training. We perform experiments with BSRBF-KAN, multi-layer perception (MLP), and other popular KANs, including EfficientKAN, FastKAN, FasterKAN, and GottliebKAN over the MNIST and Fashion-MNIST datasets. BSRBF-KAN shows stability in 5 training runs with a competitive average accuracy of 97.55% on MNIST and 89.33% on Fashion-MNIST and obtains convergence better than other networks. We expect BSRBF-KAN to open many combinations of mathematical functions to design KANs. Our repo is publicly available at: https://github.com/hoangthangta/BSRBF_KAN.
"KAN you hear me?" Exploring Kolmogorov-Arnold Networks for Spoken Language Understanding
Kolmogorov-Arnold Networks (KANs) have recently emerged as a promising alternative to traditional neural architectures, yet their application to speech processing remains under explored. This work presents the first investigation of KANs for Spoken Language Understanding (SLU) tasks. We experiment with 2D-CNN models on two datasets, integrating KAN layers in five different configurations within the dense block. The best-performing setup, which places a KAN layer between two linear layers, is directly applied to transformer-based models and evaluated on five SLU datasets with increasing complexity. Our results show that KAN layers can effectively replace the linear layers, achieving comparable or superior performance in most cases. Finally, we provide insights into how KAN and linear layers on top of transformers differently attend to input regions of the raw waveforms.
MLP-KAN: Unifying Deep Representation and Function Learning
Recent advancements in both representation learning and function learning have demonstrated substantial promise across diverse domains of artificial intelligence. However, the effective integration of these paradigms poses a significant challenge, particularly in cases where users must manually decide whether to apply a representation learning or function learning model based on dataset characteristics. To address this issue, we introduce MLP-KAN, a unified method designed to eliminate the need for manual model selection. By integrating Multi-Layer Perceptrons (MLPs) for representation learning and Kolmogorov-Arnold Networks (KANs) for function learning within a Mixture-of-Experts (MoE) architecture, MLP-KAN dynamically adapts to the specific characteristics of the task at hand, ensuring optimal performance. Embedded within a transformer-based framework, our work achieves remarkable results on four widely-used datasets across diverse domains. Extensive experimental evaluation demonstrates its superior versatility, delivering competitive performance across both deep representation and function learning tasks. These findings highlight the potential of MLP-KAN to simplify the model selection process, offering a comprehensive, adaptable solution across various domains. Our code and weights are available at https://github.com/DLYuanGod/MLP-KAN.
Kolmogorov Arnold Informed neural network: A physics-informed deep learning framework for solving PDEs based on Kolmogorov Arnold Networks
AI for partial differential equations (PDEs) has garnered significant attention, particularly with the emergence of Physics-informed neural networks (PINNs). The recent advent of Kolmogorov-Arnold Network (KAN) indicates that there is potential to revisit and enhance the previously MLP-based PINNs. Compared to MLPs, KANs offer interpretability and require fewer parameters. PDEs can be described in various forms, such as strong form, energy form, and inverse form. While mathematically equivalent, these forms are not computationally equivalent, making the exploration of different PDE formulations significant in computational physics. Thus, we propose different PDE forms based on KAN instead of MLP, termed Kolmogorov-Arnold-Informed Neural Network (KINN). We systematically compare MLP and KAN in various numerical examples of PDEs, including multi-scale, singularity, stress concentration, nonlinear hyperelasticity, heterogeneous, and complex geometry problems. Our results demonstrate that KINN significantly outperforms MLP in terms of accuracy and convergence speed for numerous PDEs in computational solid mechanics, except for the complex geometry problem. This highlights KINN's potential for more efficient and accurate PDE solutions in AI for PDEs.
A Gated Residual Kolmogorov-Arnold Networks for Mixtures of Experts
This paper introduces KAMoE, a novel Mixture of Experts (MoE) framework based on Gated Residual Kolmogorov-Arnold Networks (GRKAN). We propose GRKAN as an alternative to the traditional gating function, aiming to enhance efficiency and interpretability in MoE modeling. Through extensive experiments on digital asset markets and real estate valuation, we demonstrate that KAMoE consistently outperforms traditional MoE architectures across various tasks and model types. Our results show that GRKAN exhibits superior performance compared to standard Gating Residual Networks, particularly in LSTM-based models for sequential tasks. We also provide insights into the trade-offs between model complexity and performance gains in MoE and KAMoE architectures.
Low-rank lottery tickets: finding efficient low-rank neural networks via matrix differential equations
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.
Gaussian Mixture Convolution Networks
This paper proposes a novel method for deep learning based on the analytical convolution of multidimensional Gaussian mixtures. In contrast to tensors, these do not suffer from the curse of dimensionality and allow for a compact representation, as data is only stored where details exist. Convolution kernels and data are Gaussian mixtures with unconstrained weights, positions, and covariance matrices. Similar to discrete convolutional networks, each convolution step produces several feature channels, represented by independent Gaussian mixtures. Since traditional transfer functions like ReLUs do not produce Gaussian mixtures, we propose using a fitting of these functions instead. This fitting step also acts as a pooling layer if the number of Gaussian components is reduced appropriately. We demonstrate that networks based on this architecture reach competitive accuracy on Gaussian mixtures fitted to the MNIST and ModelNet data sets.
Deterministic equivalent and error universality of deep random features learning
This manuscript considers the problem of learning a random Gaussian network function using a fully connected network with frozen intermediate layers and trainable readout layer. This problem can be seen as a natural generalization of the widely studied random features model to deeper architectures. First, we prove Gaussian universality of the test error in a ridge regression setting where the learner and target networks share the same intermediate layers, and provide a sharp asymptotic formula for it. Establishing this result requires proving a deterministic equivalent for traces of the deep random features sample covariance matrices which can be of independent interest. Second, we conjecture the asymptotic Gaussian universality of the test error in the more general setting of arbitrary convex losses and generic learner/target architectures. We provide extensive numerical evidence for this conjecture, which requires the derivation of closed-form expressions for the layer-wise post-activation population covariances. In light of our results, we investigate the interplay between architecture design and implicit regularization.
Kolmogorov-Arnold Neural Networks for High-Entropy Alloys Design
A wide range of deep learning-based machine learning techniques are extensively applied to the design of high-entropy alloys (HEAs), yielding numerous valuable insights. Kolmogorov-Arnold Networks (KAN) is a recently developed architecture that aims to improve both the accuracy and interpretability of input features. In this work, we explore three different datasets for HEA design and demonstrate the application of KAN for both classification and regression models. In the first example, we use a KAN classification model to predict the probability of single-phase formation in high-entropy carbide ceramics based on various properties such as mixing enthalpy and valence electron concentration. In the second example, we employ a KAN regression model to predict the yield strength and ultimate tensile strength of HEAs based on their chemical composition and process conditions including annealing time, cold rolling percentage, and homogenization temperature. The third example involves a KAN classification model to determine whether a certain composition is an HEA or non-HEA, followed by a KAN regressor model to predict the bulk modulus of the identified HEA, aiming to identify HEAs with high bulk modulus. In all three examples, KAN either outperform or match the performance in terms of accuracy such as F1 score for classification and Mean Square Error (MSE), and coefficient of determination (R2) for regression of the multilayer perceptron (MLP) by demonstrating the efficacy of KAN in handling both classification and regression tasks. We provide a promising direction for future research to explore advanced machine learning techniques, which lead to more accurate predictions and better interpretability of complex materials, ultimately accelerating the discovery and optimization of HEAs with desirable properties.
The Principles of Deep Learning Theory
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.
CKConv: Continuous Kernel Convolution For Sequential Data
Conventional neural architectures for sequential data present important limitations. Recurrent networks suffer from exploding and vanishing gradients, small effective memory horizons, and must be trained sequentially. Convolutional networks are unable to handle sequences of unknown size and their memory horizon must be defined a priori. In this work, we show that all these problems can be solved by formulating convolutional kernels in CNNs as continuous functions. The resulting Continuous Kernel Convolution (CKConv) allows us to model arbitrarily long sequences in a parallel manner, within a single operation, and without relying on any form of recurrence. We show that Continuous Kernel Convolutional Networks (CKCNNs) obtain state-of-the-art results in multiple datasets, e.g., permuted MNIST, and, thanks to their continuous nature, are able to handle non-uniformly sampled datasets and irregularly-sampled data natively. CKCNNs match or perform better than neural ODEs designed for these purposes in a faster and simpler manner.
Equivariant Architectures for Learning in Deep Weight Spaces
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.
KAN-HAR: A Human activity recognition based on Kolmogorov-Arnold Network
Human Activity Recognition (HAR) plays a critical role in numerous applications, including healthcare monitoring, fitness tracking, and smart environments. Traditional deep learning (DL) approaches, while effective, often require extensive parameter tuning and may lack interpretability. In this work, we investigate the use of a single three-axis accelerometer and the Kolmogorov--Arnold Network (KAN) for HAR tasks, leveraging its ability to model complex nonlinear relationships with improved interpretability and parameter efficiency. The MotionSense dataset, containing smartphone-based motion sensor signals across various physical activities, is employed to evaluate the proposed approach. Our methodology involves preprocessing and normalization of accelerometer and gyroscope data, followed by KAN-based feature learning and classification. Experimental results demonstrate that the KAN achieves competitive or superior classification performance compared to conventional deep neural networks, while maintaining a significantly reduced parameter count. This highlights the potential of KAN architectures as an efficient and interpretable alternative for real-world HAR systems. The open-source implementation of the proposed framework is available at the Project's GitHub Repository.
Feature Learning and Generalization in Deep Networks with Orthogonal Weights
Fully-connected deep neural networks with weights initialized from independent Gaussian distributions can be tuned to criticality, which prevents the exponential growth or decay of signals propagating through the network. However, such networks still exhibit fluctuations that grow linearly with the depth of the network, which may impair the training of networks with width comparable to depth. We show analytically that rectangular networks with tanh activations and weights initialized from the ensemble of orthogonal matrices have corresponding preactivation fluctuations which are independent of depth, to leading order in inverse width. Moreover, we demonstrate numerically that, at initialization, all correlators involving the neural tangent kernel (NTK) and its descendants at leading order in inverse width -- which govern the evolution of observables during training -- saturate at a depth of sim 20, rather than growing without bound as in the case of Gaussian initializations. We speculate that this structure preserves finite-width feature learning while reducing overall noise, thus improving both generalization and training speed. We provide some experimental justification by relating empirical measurements of the NTK to the superior performance of deep nonlinear orthogonal networks trained under full-batch gradient descent on the MNIST and CIFAR-10 classification tasks.
Medical Image Classification with KAN-Integrated Transformers and Dilated Neighborhood Attention
Convolutional networks, transformers, hybrid models, and Mamba-based architectures have demonstrated strong performance across various medical image classification tasks. However, these methods were primarily designed to classify clean images using labeled data. In contrast, real-world clinical data often involve image corruptions that are unique to multi-center studies and stem from variations in imaging equipment across manufacturers. In this paper, we introduce the Medical Vision Transformer (MedViTV2), a novel architecture incorporating Kolmogorov-Arnold Network (KAN) layers into the transformer architecture for the first time, aiming for generalized medical image classification. We have developed an efficient KAN block to reduce computational load while enhancing the accuracy of the original MedViT. Additionally, to counteract the fragility of our MedViT when scaled up, we propose an enhanced Dilated Neighborhood Attention (DiNA), an adaptation of the efficient fused dot-product attention kernel capable of capturing global context and expanding receptive fields to scale the model effectively and addressing feature collapse issues. Moreover, a hierarchical hybrid strategy is introduced to stack our Local Feature Perception and Global Feature Perception blocks in an efficient manner, which balances local and global feature perceptions to boost performance. Extensive experiments on 17 medical image classification datasets and 12 corrupted medical image datasets demonstrate that MedViTV2 achieved state-of-the-art results in 27 out of 29 experiments with reduced computational complexity. MedViTV2 is 44\% more computationally efficient than the previous version and significantly enhances accuracy, achieving improvements of 4.6\% on MedMNIST, 5.8\% on NonMNIST, and 13.4\% on the MedMNIST-C benchmark.
Model Comparisons: XNet Outperforms KAN
In the fields of computational mathematics and artificial intelligence, the need for precise data modeling is crucial, especially for predictive machine learning tasks. This paper explores further XNet, a novel algorithm that employs the complex-valued Cauchy integral formula, offering a superior network architecture that surpasses traditional Multi-Layer Perceptrons (MLPs) and Kolmogorov-Arnold Networks (KANs). XNet significant improves speed and accuracy across various tasks in both low and high-dimensional spaces, redefining the scope of data-driven model development and providing substantial improvements over established time series models like LSTMs.
A Novel Convolutional Neural Network Architecture with a Continuous Symmetry
This paper introduces a new Convolutional Neural Network (ConvNet) architecture inspired by a class of partial differential equations (PDEs) called quasi-linear hyperbolic systems. With comparable performance on the image classification task, it allows for the modification of the weights via a continuous group of symmetry. This is a significant shift from traditional models where the architecture and weights are essentially fixed. We wish to promote the (internal) symmetry as a new desirable property for a neural network, and to draw attention to the PDE perspective in analyzing and interpreting ConvNets in the broader Deep Learning community.
Scaling Vision with Sparse Mixture of Experts
Sparsely-gated Mixture of Experts networks (MoEs) have demonstrated excellent scalability in Natural Language Processing. In Computer Vision, however, almost all performant networks are "dense", that is, every input is processed by every parameter. We present a Vision MoE (V-MoE), a sparse version of the Vision Transformer, that is scalable and competitive with the largest dense networks. When applied to image recognition, V-MoE matches the performance of state-of-the-art networks, while requiring as little as half of the compute at inference time. Further, we propose an extension to the routing algorithm that can prioritize subsets of each input across the entire batch, leading to adaptive per-image compute. This allows V-MoE to trade-off performance and compute smoothly at test-time. Finally, we demonstrate the potential of V-MoE to scale vision models, and train a 15B parameter model that attains 90.35% on ImageNet.
Unveiling the Unseen: Identifiable Clusters in Trained Depthwise Convolutional Kernels
Recent advances in depthwise-separable convolutional neural networks (DS-CNNs) have led to novel architectures, that surpass the performance of classical CNNs, by a considerable scalability and accuracy margin. This paper reveals another striking property of DS-CNN architectures: discernible and explainable patterns emerge in their trained depthwise convolutional kernels in all layers. Through an extensive analysis of millions of trained filters, with different sizes and from various models, we employed unsupervised clustering with autoencoders, to categorize these filters. Astonishingly, the patterns converged into a few main clusters, each resembling the difference of Gaussian (DoG) functions, and their first and second-order derivatives. Notably, we were able to classify over 95\% and 90\% of the filters from state-of-the-art ConvNextV2 and ConvNeXt models, respectively. This finding is not merely a technological curiosity; it echoes the foundational models neuroscientists have long proposed for the vision systems of mammals. Our results thus deepen our understanding of the emergent properties of trained DS-CNNs and provide a bridge between artificial and biological visual processing systems. More broadly, they pave the way for more interpretable and biologically-inspired neural network designs in the future.
A Deep Conjugate Direction Method for Iteratively Solving Linear Systems
We present a novel deep learning approach to approximate the solution of large, sparse, symmetric, positive-definite linear systems of equations. These systems arise from many problems in applied science, e.g., in numerical methods for partial differential equations. Algorithms for approximating the solution to these systems are often the bottleneck in problems that require their solution, particularly for modern applications that require many millions of unknowns. Indeed, numerical linear algebra techniques have been investigated for many decades to alleviate this computational burden. Recently, data-driven techniques have also shown promise for these problems. Motivated by the conjugate gradients algorithm that iteratively selects search directions for minimizing the matrix norm of the approximation error, we design an approach that utilizes a deep neural network to accelerate convergence via data-driven improvement of the search directions. Our method leverages a carefully chosen convolutional network to approximate the action of the inverse of the linear operator up to an arbitrary constant. We train the network using unsupervised learning with a loss function equal to the L^2 difference between an input and the system matrix times the network evaluation, where the unspecified constant in the approximate inverse is accounted for. We demonstrate the efficacy of our approach on spatially discretized Poisson equations with millions of degrees of freedom arising in computational fluid dynamics applications. Unlike state-of-the-art learning approaches, our algorithm is capable of reducing the linear system residual to a given tolerance in a small number of iterations, independent of the problem size. Moreover, our method generalizes effectively to various systems beyond those encountered during training.
Make Deep Networks Shallow Again
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.
SMPConv: Self-moving Point Representations for Continuous Convolution
Continuous convolution has recently gained prominence due to its ability to handle irregularly sampled data and model long-term dependency. Also, the promising experimental results of using large convolutional kernels have catalyzed the development of continuous convolution since they can construct large kernels very efficiently. Leveraging neural networks, more specifically multilayer perceptrons (MLPs), is by far the most prevalent approach to implementing continuous convolution. However, there are a few drawbacks, such as high computational costs, complex hyperparameter tuning, and limited descriptive power of filters. This paper suggests an alternative approach to building a continuous convolution without neural networks, resulting in more computationally efficient and improved performance. We present self-moving point representations where weight parameters freely move, and interpolation schemes are used to implement continuous functions. When applied to construct convolutional kernels, the experimental results have shown improved performance with drop-in replacement in the existing frameworks. Due to its lightweight structure, we are first to demonstrate the effectiveness of continuous convolution in a large-scale setting, e.g., ImageNet, presenting the improvements over the prior arts. Our code is available on https://github.com/sangnekim/SMPConv
Beyond IID weights: sparse and low-rank deep Neural Networks are also Gaussian Processes
The infinitely wide neural network has been proven a useful and manageable mathematical model that enables the understanding of many phenomena appearing in deep learning. One example is the convergence of random deep networks to Gaussian processes that allows a rigorous analysis of the way the choice of activation function and network weights impacts the training dynamics. In this paper, we extend the seminal proof of Matthews et al. (2018) to a larger class of initial weight distributions (which we call PSEUDO-IID), including the established cases of IID and orthogonal weights, as well as the emerging low-rank and structured sparse settings celebrated for their computational speed-up benefits. We show that fully-connected and convolutional networks initialized with PSEUDO-IID distributions are all effectively equivalent up to their variance. Using our results, one can identify the Edge-of-Chaos for a broader class of neural networks and tune them at criticality in order to enhance their training. Moreover, they enable the posterior distribution of Bayesian Neural Networks to be tractable across these various initialization schemes.
Striving for Simplicity: The All Convolutional Net
Most modern convolutional neural networks (CNNs) used for object recognition are built using the same principles: Alternating convolution and max-pooling layers followed by a small number of fully connected layers. We re-evaluate the state of the art for object recognition from small images with convolutional networks, questioning the necessity of different components in the pipeline. We find that max-pooling can simply be replaced by a convolutional layer with increased stride without loss in accuracy on several image recognition benchmarks. Following this finding -- and building on other recent work for finding simple network structures -- we propose a new architecture that consists solely of convolutional layers and yields competitive or state of the art performance on several object recognition datasets (CIFAR-10, CIFAR-100, ImageNet). To analyze the network we introduce a new variant of the "deconvolution approach" for visualizing features learned by CNNs, which can be applied to a broader range of network structures than existing approaches.
Splines-Based Feature Importance in Kolmogorov-Arnold Networks: A Framework for Supervised Tabular Data Dimensionality Reduction
High-dimensional datasets require effective feature selection to improve predictive performance, interpretability, and robustness. We propose and evaluate feature selection methods for tabular datasets based on Kolmogorov-Arnold networks (KANs), which parameterize feature transformations through splines, enabling direct access to interpretable importance measures. We introduce four KAN-based selectors (KAN-L1, KAN-L2, KAN-SI, KAN-KO) and compare them against classical baselines (LASSO, Random Forest, Mutual Information, SVM-RFE) across multiple classification and regression tabular dataset benchmarks. Average (over three retention levels: 20\%, 40\%, and 60\%) F1 scores and R^2 score results reveal that KAN-based selectors, particularly KAN-L2, KAN-L1, KAN-SI, and KAN-KO, are competitive with and sometimes superior to classical baselines in structured and synthetic datasets. However, KAN-L1 is often too aggressive in regression, removing useful features, while KAN-L2 underperforms in classification, where simple coefficient shrinkage misses complex feature interactions. KAN-L2 and KAN-SI provide robust performance on noisy regression datasets and heterogeneous datasets, aligning closely with ensemble predictors. In classification tasks, KAN selectors such as KAN-L1, KAN-KO, and KAN-SI sometimes surpass the other selectors by eliminating redundancy, particularly in high-dimensional multi-class data. Overall, our findings demonstrate that KAN-based feature selection provides a powerful and interpretable alternative to traditional methods, capable of uncovering nonlinear and multivariate feature relevance beyond sparsity or impurity-based measures.
HyperZcdotZcdotW Operator Connects Slow-Fast Networks for Full Context Interaction
The self-attention mechanism utilizes large implicit weight matrices, programmed through dot product-based activations with very few trainable parameters, to enable long sequence modeling. In this paper, we investigate the possibility of discarding residual learning by employing large implicit kernels to achieve full context interaction at each layer of the network. To accomplish it, we introduce coordinate-based implicit MLPs as a slow network to generate hyper-kernels for another fast convolutional network. To get context-varying weights for fast dynamic encoding, we propose a HyperZ{cdotZ{cdot}W} operator that connects hyper-kernels (W) and hidden activations (Z) through simple elementwise multiplication, followed by convolution of Z using the context-dependent W. Based on this design, we present a novel Terminator architecture that integrates hyper-kernels of different sizes to produce multi-branch hidden representations for enhancing the feature extraction capability of each layer. Additionally, a bottleneck layer is employed to compress the concatenated channels, allowing only valuable information to propagate to the subsequent layers. Notably, our model incorporates several innovative components and exhibits excellent properties, such as introducing local feedback error for updating the slow network, stable zero-mean features, faster training convergence, and fewer model parameters. Extensive experimental results on pixel-level 1D and 2D image classification benchmarks demonstrate the superior performance of our architecture.
Densely Connected Convolutional Networks
Recent work has shown that convolutional networks can be substantially deeper, more accurate, and efficient to train if they contain shorter connections between layers close to the input and those close to the output. In this paper, we embrace this observation and introduce the Dense Convolutional Network (DenseNet), which connects each layer to every other layer in a feed-forward fashion. Whereas traditional convolutional networks with L layers have L connections - one between each layer and its subsequent layer - our network has L(L+1)/2 direct connections. For each layer, the feature-maps of all preceding layers are used as inputs, and its own feature-maps are used as inputs into all subsequent layers. DenseNets have several compelling advantages: they alleviate the vanishing-gradient problem, strengthen feature propagation, encourage feature reuse, and substantially reduce the number of parameters. We evaluate our proposed architecture on four highly competitive object recognition benchmark tasks (CIFAR-10, CIFAR-100, SVHN, and ImageNet). DenseNets obtain significant improvements over the state-of-the-art on most of them, whilst requiring less computation to achieve high performance. Code and pre-trained models are available at https://github.com/liuzhuang13/DenseNet .
Scalable Neural Network Kernels
We introduce the concept of scalable neural network kernels (SNNKs), the replacements of regular feedforward layers (FFLs), capable of approximating the latter, but with favorable computational properties. SNNKs effectively disentangle the inputs from the parameters of the neural network in the FFL, only to connect them in the final computation via the dot-product kernel. They are also strictly more expressive, as allowing to model complicated relationships beyond the functions of the dot-products of parameter-input vectors. We also introduce the neural network bundling process that applies SNNKs to compactify deep neural network architectures, resulting in additional compression gains. In its extreme version, it leads to the fully bundled network whose optimal parameters can be expressed via explicit formulae for several loss functions (e.g. mean squared error), opening a possibility to bypass backpropagation. As a by-product of our analysis, we introduce the mechanism of the universal random features (or URFs), applied to instantiate several SNNK variants, and interesting on its own in the context of scalable kernel methods. We provide rigorous theoretical analysis of all these concepts as well as an extensive empirical evaluation, ranging from point-wise kernel estimation to Transformers' fine-tuning with novel adapter layers inspired by SNNKs. Our mechanism provides up to 5x reduction in the number of trainable parameters, while maintaining competitive accuracy.
Rethinking the Inception Architecture for Computer Vision
Convolutional networks are at the core of most state-of-the-art computer vision solutions for a wide variety of tasks. Since 2014 very deep convolutional networks started to become mainstream, yielding substantial gains in various benchmarks. Although increased model size and computational cost tend to translate to immediate quality gains for most tasks (as long as enough labeled data is provided for training), computational efficiency and low parameter count are still enabling factors for various use cases such as mobile vision and big-data scenarios. Here we explore ways to scale up networks in ways that aim at utilizing the added computation as efficiently as possible by suitably factorized convolutions and aggressive regularization. We benchmark our methods on the ILSVRC 2012 classification challenge validation set demonstrate substantial gains over the state of the art: 21.2% top-1 and 5.6% top-5 error for single frame evaluation using a network with a computational cost of 5 billion multiply-adds per inference and with using less than 25 million parameters. With an ensemble of 4 models and multi-crop evaluation, we report 3.5% top-5 error on the validation set (3.6% error on the test set) and 17.3% top-1 error on the validation set.
What Can Be Learnt With Wide Convolutional Neural Networks?
Understanding how convolutional neural networks (CNNs) can efficiently learn high-dimensional functions remains a fundamental challenge. A popular belief is that these models harness the local and hierarchical structure of natural data such as images. Yet, we lack a quantitative understanding of how such structure affects performance, e.g., the rate of decay of the generalisation error with the number of training samples. In this paper, we study infinitely-wide deep CNNs in the kernel regime. First, we show that the spectrum of the corresponding kernel inherits the hierarchical structure of the network, and we characterise its asymptotics. Then, we use this result together with generalisation bounds to prove that deep CNNs adapt to the spatial scale of the target function. In particular, we find that if the target function depends on low-dimensional subsets of adjacent input variables, then the decay of the error is controlled by the effective dimensionality of these subsets. Conversely, if the target function depends on the full set of input variables, then the error decay is controlled by the input dimension. We conclude by computing the generalisation error of a deep CNN trained on the output of another deep CNN with randomly-initialised parameters. Interestingly, we find that, despite their hierarchical structure, the functions generated by infinitely-wide deep CNNs are too rich to be efficiently learnable in high dimension.
Magnitude Invariant Parametrizations Improve Hypernetwork Learning
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.
Network In Network
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.
Network Pruning Spaces
Network pruning techniques, including weight pruning and filter pruning, reveal that most state-of-the-art neural networks can be accelerated without a significant performance drop. This work focuses on filter pruning which enables accelerated inference with any off-the-shelf deep learning library and hardware. We propose the concept of network pruning spaces that parametrize populations of subnetwork architectures. Based on this concept, we explore the structure aspect of subnetworks that result in minimal loss of accuracy in different pruning regimes and arrive at a series of observations by comparing subnetwork distributions. We conjecture through empirical studies that there exists an optimal FLOPs-to-parameter-bucket ratio related to the design of original network in a pruning regime. Statistically, the structure of a winning subnetwork guarantees an approximately optimal ratio in this regime. Upon our conjectures, we further refine the initial pruning space to reduce the cost of searching a good subnetwork architecture. Our experimental results on ImageNet show that the subnetwork we found is superior to those from the state-of-the-art pruning methods under comparable FLOPs.
Efficient Online Processing with Deep Neural Networks
The capabilities and adoption of deep neural networks (DNNs) grow at an exhilarating pace: Vision models accurately classify human actions in videos and identify cancerous tissue in medical scans as precisely than human experts; large language models answer wide-ranging questions, generate code, and write prose, becoming the topic of everyday dinner-table conversations. Even though their uses are exhilarating, the continually increasing model sizes and computational complexities have a dark side. The economic cost and negative environmental externalities of training and serving models is in evident disharmony with financial viability and climate action goals. Instead of pursuing yet another increase in predictive performance, this dissertation is dedicated to the improvement of neural network efficiency. Specifically, a core contribution addresses the efficiency aspects during online inference. Here, the concept of Continual Inference Networks (CINs) is proposed and explored across four publications. CINs extend prior state-of-the-art methods developed for offline processing of spatio-temporal data and reuse their pre-trained weights, improving their online processing efficiency by an order of magnitude. These advances are attained through a bottom-up computational reorganization and judicious architectural modifications. The benefit to online inference is demonstrated by reformulating several widely used network architectures into CINs, including 3D CNNs, ST-GCNs, and Transformer Encoders. An orthogonal contribution tackles the concurrent adaptation and computational acceleration of a large source model into multiple lightweight derived models. Drawing on fusible adapter networks and structured pruning, Structured Pruning Adapters achieve superior predictive accuracy under aggressive pruning using significantly fewer learned weights compared to fine-tuning with pruning.
OTOV2: Automatic, Generic, User-Friendly
The existing model compression methods via structured pruning typically require complicated multi-stage procedures. Each individual stage necessitates numerous engineering efforts and domain-knowledge from the end-users which prevent their wider applications onto broader scenarios. We propose the second generation of Only-Train-Once (OTOv2), which first automatically trains and compresses a general DNN only once from scratch to produce a more compact model with competitive performance without fine-tuning. OTOv2 is automatic and pluggable into various deep learning applications, and requires almost minimal engineering efforts from the users. Methodologically, OTOv2 proposes two major improvements: (i) Autonomy: automatically exploits the dependency of general DNNs, partitions the trainable variables into Zero-Invariant Groups (ZIGs), and constructs the compressed model; and (ii) Dual Half-Space Projected Gradient (DHSPG): a novel optimizer to more reliably solve structured-sparsity problems. Numerically, we demonstrate the generality and autonomy of OTOv2 on a variety of model architectures such as VGG, ResNet, CARN, ConvNeXt, DenseNet and StackedUnets, the majority of which cannot be handled by other methods without extensive handcrafting efforts. Together with benchmark datasets including CIFAR10/100, DIV2K, Fashion-MNIST, SVNH and ImageNet, its effectiveness is validated by performing competitively or even better than the state-of-the-arts. The source code is available at https://github.com/tianyic/only_train_once.
Neural signature kernels as infinite-width-depth-limits of controlled ResNets
Motivated by the paradigm of reservoir computing, we consider randomly initialized controlled ResNets defined as Euler-discretizations of neural controlled differential equations (Neural CDEs), a unified architecture which enconpasses both RNNs and ResNets. We show that in the infinite-width-depth limit and under proper scaling, these architectures converge weakly to Gaussian processes indexed on some spaces of continuous paths and with kernels satisfying certain partial differential equations (PDEs) varying according to the choice of activation function, extending the results of Hayou (2022); Hayou & Yang (2023) to the controlled and homogeneous case. In the special, homogeneous, case where the activation is the identity, we show that the equation reduces to a linear PDE and the limiting kernel agrees with the signature kernel of Salvi et al. (2021a). We name this new family of limiting kernels neural signature kernels. Finally, we show that in the infinite-depth regime, finite-width controlled ResNets converge in distribution to Neural CDEs with random vector fields which, depending on whether the weights are shared across layers, are either time-independent and Gaussian or behave like a matrix-valued Brownian motion.
FractalNet: Ultra-Deep Neural Networks without Residuals
We introduce a design strategy for neural network macro-architecture based on self-similarity. Repeated application of a simple expansion rule generates deep networks whose structural layouts are precisely truncated fractals. These networks contain interacting subpaths of different lengths, but do not include any pass-through or residual connections; every internal signal is transformed by a filter and nonlinearity before being seen by subsequent layers. In experiments, fractal networks match the excellent performance of standard residual networks on both CIFAR and ImageNet classification tasks, thereby demonstrating that residual representations may not be fundamental to the success of extremely deep convolutional neural networks. Rather, the key may be the ability to transition, during training, from effectively shallow to deep. We note similarities with student-teacher behavior and develop drop-path, a natural extension of dropout, to regularize co-adaptation of subpaths in fractal architectures. Such regularization allows extraction of high-performance fixed-depth subnetworks. Additionally, fractal networks exhibit an anytime property: shallow subnetworks provide a quick answer, while deeper subnetworks, with higher latency, provide a more accurate answer.
Some Theoretical Results on Layerwise Effective Dimension Oscillations in Finite Width ReLU Networks
We analyze the layerwise effective dimension (rank of the feature matrix) in fully-connected ReLU networks of finite width. Specifically, for a fixed batch of m inputs and random Gaussian weights, we derive closed-form expressions for the expected rank of the \mtimes n hidden activation matrices. Our main result shows that E[EDim(ell)]=m[1-(1-2/pi)^ell]+O(e^{-c m}) so that the rank deficit decays geometrically with ratio 1-2 / pi approx 0.3634. We also prove a sub-Gaussian concentration bound, and identify the "revival" depths at which the expected rank attains local maxima. In particular, these peaks occur at depths ell_k^*approx(k+1/2)pi/log(1/rho) with height approx (1-e^{-pi/2}) m approx 0.79m. We further show that this oscillatory rank behavior is a finite-width phenomenon: under orthogonal weight initialization or strong negative-slope leaky-ReLU, the rank remains (nearly) full. These results provide a precise characterization of how random ReLU layers alternately collapse and partially revive the subspace of input variations, adding nuance to prior work on expressivity of deep networks.
k-Sparse Autoencoders
Recently, it has been observed that when representations are learnt in a way that encourages sparsity, improved performance is obtained on classification tasks. These methods involve combinations of activation functions, sampling steps and different kinds of penalties. To investigate the effectiveness of sparsity by itself, we propose the k-sparse autoencoder, which is an autoencoder with linear activation function, where in hidden layers only the k highest activities are kept. When applied to the MNIST and NORB datasets, we find that this method achieves better classification results than denoising autoencoders, networks trained with dropout, and RBMs. k-sparse autoencoders are simple to train and the encoding stage is very fast, making them well-suited to large problem sizes, where conventional sparse coding algorithms cannot be applied.
MgNO: Efficient Parameterization of Linear Operators via Multigrid
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).
All You Need is Beyond a Good Init: Exploring Better Solution for Training Extremely Deep Convolutional Neural Networks with Orthonormality and Modulation
Deep neural network is difficult to train and this predicament becomes worse as the depth increases. The essence of this problem exists in the magnitude of backpropagated errors that will result in gradient vanishing or exploding phenomenon. We show that a variant of regularizer which utilizes orthonormality among different filter banks can alleviate this problem. Moreover, we design a backward error modulation mechanism based on the quasi-isometry assumption between two consecutive parametric layers. Equipped with these two ingredients, we propose several novel optimization solutions that can be utilized for training a specific-structured (repetitively triple modules of Conv-BNReLU) extremely deep convolutional neural network (CNN) WITHOUT any shortcuts/ identity mappings from scratch. Experiments show that our proposed solutions can achieve distinct improvements for a 44-layer and a 110-layer plain networks on both the CIFAR-10 and ImageNet datasets. Moreover, we can successfully train plain CNNs to match the performance of the residual counterparts. Besides, we propose new principles for designing network structure from the insights evoked by orthonormality. Combined with residual structure, we achieve comparative performance on the ImageNet dataset.
On the Stepwise Nature of Self-Supervised Learning
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.
RecConv: Efficient Recursive Convolutions for Multi-Frequency Representations
Recent advances in vision transformers (ViTs) have demonstrated the advantage of global modeling capabilities, prompting widespread integration of large-kernel convolutions for enlarging the effective receptive field (ERF). However, the quadratic scaling of parameter count and computational complexity (FLOPs) with respect to kernel size poses significant efficiency and optimization challenges. This paper introduces RecConv, a recursive decomposition strategy that efficiently constructs multi-frequency representations using small-kernel convolutions. RecConv establishes a linear relationship between parameter growth and decomposing levels which determines the effective kernel size ktimes 2^ell for a base kernel k and ell levels of decomposition, while maintaining constant FLOPs regardless of the ERF expansion. Specifically, RecConv achieves a parameter expansion of only ell+2 times and a maximum FLOPs increase of 5/3 times, compared to the exponential growth (4^ell) of standard and depthwise convolutions. RecNeXt-M3 outperforms RepViT-M1.1 by 1.9 AP^{box} on COCO with similar FLOPs. This innovation provides a promising avenue towards designing efficient and compact networks across various modalities. Codes and models can be found at https://github.com/suous/RecNeXt.
All You Need is a Good Functional Prior for Bayesian Deep Learning
The Bayesian treatment of neural networks dictates that a prior distribution is specified over their weight and bias parameters. This poses a challenge because modern neural networks are characterized by a large number of parameters, and the choice of these priors has an uncontrolled effect on the induced functional prior, which is the distribution of the functions obtained by sampling the parameters from their prior distribution. We argue that this is a hugely limiting aspect of Bayesian deep learning, and this work tackles this limitation in a practical and effective way. Our proposal is to reason in terms of functional priors, which are easier to elicit, and to "tune" the priors of neural network parameters in a way that they reflect such functional priors. Gaussian processes offer a rigorous framework to define prior distributions over functions, and we propose a novel and robust framework to match their prior with the functional prior of neural networks based on the minimization of their Wasserstein distance. We provide vast experimental evidence that coupling these priors with scalable Markov chain Monte Carlo sampling offers systematically large performance improvements over alternative choices of priors and state-of-the-art approximate Bayesian deep learning approaches. We consider this work a considerable step in the direction of making the long-standing challenge of carrying out a fully Bayesian treatment of neural networks, including convolutional neural networks, a concrete possibility.
NoProp: Training Neural Networks without Back-propagation or Forward-propagation
The canonical deep learning approach for learning requires computing a gradient term at each layer by back-propagating the error signal from the output towards each learnable parameter. Given the stacked structure of neural networks, where each layer builds on the representation of the layer below, this approach leads to hierarchical representations. More abstract features live on the top layers of the model, while features on lower layers are expected to be less abstract. In contrast to this, we introduce a new learning method named NoProp, which does not rely on either forward or backwards propagation. Instead, NoProp takes inspiration from diffusion and flow matching methods, where each layer independently learns to denoise a noisy target. We believe this work takes a first step towards introducing a new family of gradient-free learning methods, that does not learn hierarchical representations -- at least not in the usual sense. NoProp needs to fix the representation at each layer beforehand to a noised version of the target, learning a local denoising process that can then be exploited at inference. We demonstrate the effectiveness of our method on MNIST, CIFAR-10, and CIFAR-100 image classification benchmarks. Our results show that NoProp is a viable learning algorithm which achieves superior accuracy, is easier to use and computationally more efficient compared to other existing back-propagation-free methods. By departing from the traditional gradient based learning paradigm, NoProp alters how credit assignment is done within the network, enabling more efficient distributed learning as well as potentially impacting other characteristics of the learning process.
Convolutional Deep Kernel Machines
Standard infinite-width limits of neural networks sacrifice the ability for intermediate layers to learn representations from data. Recent work (A theory of representation learning gives a deep generalisation of kernel methods, Yang et al. 2023) modified the Neural Network Gaussian Process (NNGP) limit of Bayesian neural networks so that representation learning is retained. Furthermore, they found that applying this modified limit to a deep Gaussian process gives a practical learning algorithm which they dubbed the deep kernel machine (DKM). However, they only considered the simplest possible setting: regression in small, fully connected networks with e.g. 10 input features. Here, we introduce convolutional deep kernel machines. This required us to develop a novel inter-domain inducing point approximation, as well as introducing and experimentally assessing a number of techniques not previously seen in DKMs, including analogues to batch normalisation, different likelihoods, and different types of top-layer. The resulting model trains in roughly 77 GPU hours, achieving around 99% test accuracy on MNIST, 72% on CIFAR-100, and 92.7% on CIFAR-10, which is SOTA for kernel methods.
Growing Efficient Deep Networks by Structured Continuous Sparsification
We develop an approach to growing deep network architectures over the course of training, driven by a principled combination of accuracy and sparsity objectives. Unlike existing pruning or architecture search techniques that operate on full-sized models or supernet architectures, our method can start from a small, simple seed architecture and dynamically grow and prune both layers and filters. By combining a continuous relaxation of discrete network structure optimization with a scheme for sampling sparse subnetworks, we produce compact, pruned networks, while also drastically reducing the computational expense of training. For example, we achieve 49.7% inference FLOPs and 47.4% training FLOPs savings compared to a baseline ResNet-50 on ImageNet, while maintaining 75.2% top-1 accuracy -- all without any dedicated fine-tuning stage. Experiments across CIFAR, ImageNet, PASCAL VOC, and Penn Treebank, with convolutional networks for image classification and semantic segmentation, and recurrent networks for language modeling, demonstrate that we both train faster and produce more efficient networks than competing architecture pruning or search methods.
Poincar茅 ResNet
This paper introduces an end-to-end residual network that operates entirely on the Poincar\'e ball model of hyperbolic space. Hyperbolic learning has recently shown great potential for visual understanding, but is currently only performed in the penultimate layer(s) of deep networks. All visual representations are still learned through standard Euclidean networks. In this paper we investigate how to learn hyperbolic representations of visual data directly from the pixel-level. We propose Poincar\'e ResNet, a hyperbolic counterpart of the celebrated residual network, starting from Poincar\'e 2D convolutions up to Poincar\'e residual connections. We identify three roadblocks for training convolutional networks entirely in hyperbolic space and propose a solution for each: (i) Current hyperbolic network initializations collapse to the origin, limiting their applicability in deeper networks. We provide an identity-based initialization that preserves norms over many layers. (ii) Residual networks rely heavily on batch normalization, which comes with expensive Fr\'echet mean calculations in hyperbolic space. We introduce Poincar\'e midpoint batch normalization as a faster and equally effective alternative. (iii) Due to the many intermediate operations in Poincar\'e layers, we lastly find that the computation graphs of deep learning libraries blow up, limiting our ability to train on deep hyperbolic networks. We provide manual backward derivations of core hyperbolic operations to maintain manageable computation graphs.
Existence, Stability and Scalability of Orthogonal Convolutional Neural Networks
Imposing orthogonality on the layers of neural networks is known to facilitate the learning by limiting the exploding/vanishing of the gradient; decorrelate the features; improve the robustness. This paper studies the theoretical properties of orthogonal convolutional layers.We establish necessary and sufficient conditions on the layer architecture guaranteeing the existence of an orthogonal convolutional transform. The conditions prove that orthogonal convolutional transforms exist for almost all architectures used in practice for 'circular' padding.We also exhibit limitations with 'valid' boundary conditions and 'same' boundary conditions with zero-padding.Recently, a regularization term imposing the orthogonality of convolutional layers has been proposed, and impressive empirical results have been obtained in different applications (Wang et al. 2020).The second motivation of the present paper is to specify the theory behind this.We make the link between this regularization term and orthogonality measures. In doing so, we show that this regularization strategy is stable with respect to numerical and optimization errors and that, in the presence of small errors and when the size of the signal/image is large, the convolutional layers remain close to isometric.The theoretical results are confirmed with experiments and the landscape of the regularization term is studied. Experiments on real data sets show that when orthogonality is used to enforce robustness, the parameter multiplying the regularization termcan be used to tune a tradeoff between accuracy and orthogonality, for the benefit of both accuracy and robustness.Altogether, the study guarantees that the regularization proposed in Wang et al. (2020) is an efficient, flexible and stable numerical strategy to learn orthogonal convolutional layers.
Preprint: Norm Loss: An efficient yet effective regularization method for deep neural networks
Convolutional neural network training can suffer from diverse issues like exploding or vanishing gradients, scaling-based weight space symmetry and covariant-shift. In order to address these issues, researchers develop weight regularization methods and activation normalization methods. In this work we propose a weight soft-regularization method based on the Oblique manifold. The proposed method uses a loss function which pushes each weight vector to have a norm close to one, i.e. the weight matrix is smoothly steered toward the so-called Oblique manifold. We evaluate our method on the very popular CIFAR-10, CIFAR-100 and ImageNet 2012 datasets using two state-of-the-art architectures, namely the ResNet and wide-ResNet. Our method introduces negligible computational overhead and the results show that it is competitive to the state-of-the-art and in some cases superior to it. Additionally, the results are less sensitive to hyperparameter settings such as batch size and regularization factor.
Is Vanilla MLP in Neural Radiance Field Enough for Few-shot View Synthesis?
Neural Radiance Field (NeRF) has achieved superior performance for novel view synthesis by modeling the scene with a Multi-Layer Perception (MLP) and a volume rendering procedure, however, when fewer known views are given (i.e., few-shot view synthesis), the model is prone to overfit the given views. To handle this issue, previous efforts have been made towards leveraging learned priors or introducing additional regularizations. In contrast, in this paper, we for the first time provide an orthogonal method from the perspective of network structure. Given the observation that trivially reducing the number of model parameters alleviates the overfitting issue, but at the cost of missing details, we propose the multi-input MLP (mi-MLP) that incorporates the inputs (i.e., location and viewing direction) of the vanilla MLP into each layer to prevent the overfitting issue without harming detailed synthesis. To further reduce the artifacts, we propose to model colors and volume density separately and present two regularization terms. Extensive experiments on multiple datasets demonstrate that: 1) although the proposed mi-MLP is easy to implement, it is surprisingly effective as it boosts the PSNR of the baseline from 14.73 to 24.23. 2) the overall framework achieves state-of-the-art results on a wide range of benchmarks. We will release the code upon publication.
Density Modeling of Images using a Generalized Normalization Transformation
We introduce a parametric nonlinear transformation that is well-suited for Gaussianizing data from natural images. The data are linearly transformed, and each component is then normalized by a pooled activity measure, computed by exponentiating a weighted sum of rectified and exponentiated components and a constant. We optimize the parameters of the full transformation (linear transform, exponents, weights, constant) over a database of natural images, directly minimizing the negentropy of the responses. The optimized transformation substantially Gaussianizes the data, achieving a significantly smaller mutual information between transformed components than alternative methods including ICA and radial Gaussianization. The transformation is differentiable and can be efficiently inverted, and thus induces a density model on images. We show that samples of this model are visually similar to samples of natural image patches. We demonstrate the use of the model as a prior probability density that can be used to remove additive noise. Finally, we show that the transformation can be cascaded, with each layer optimized using the same Gaussianization objective, thus offering an unsupervised method of optimizing a deep network architecture.
Convolution Aware Initialization
Initialization of parameters in deep neural networks has been shown to have a big impact on the performance of the networks (Mishkin & Matas, 2015). The initialization scheme devised by He et al, allowed convolution activations to carry a constrained mean which allowed deep networks to be trained effectively (He et al., 2015a). Orthogonal initializations and more generally orthogonal matrices in standard recurrent networks have been proved to eradicate the vanishing and exploding gradient problem (Pascanu et al., 2012). Majority of current initialization schemes do not take fully into account the intrinsic structure of the convolution operator. Using the duality of the Fourier transform and the convolution operator, Convolution Aware Initialization builds orthogonal filters in the Fourier space, and using the inverse Fourier transform represents them in the standard space. With Convolution Aware Initialization we noticed not only higher accuracy and lower loss, but faster convergence. We achieve new state of the art on the CIFAR10 dataset, and achieve close to state of the art on various other tasks.
Monotone deep Boltzmann machines
Deep Boltzmann machines (DBMs), one of the first ``deep'' learning methods ever studied, are multi-layered probabilistic models governed by a pairwise energy function that describes the likelihood of all variables/nodes in the network. In practice, DBMs are often constrained, i.e., via the restricted Boltzmann machine (RBM) architecture (which does not permit intra-layer connections), in order to allow for more efficient inference. In this work, we revisit the generic DBM approach, and ask the question: are there other possible restrictions to their design that would enable efficient (approximate) inference? In particular, we develop a new class of restricted model, the monotone DBM, which allows for arbitrary self-connection in each layer, but restricts the weights in a manner that guarantees the existence and global uniqueness of a mean-field fixed point. To do this, we leverage tools from the recently-proposed monotone Deep Equilibrium model and show that a particular choice of activation results in a fixed-point iteration that gives a variational mean-field solution. While this approach is still largely conceptual, it is the first architecture that allows for efficient approximate inference in fully-general weight structures for DBMs. We apply this approach to simple deep convolutional Boltzmann architectures and demonstrate that it allows for tasks such as the joint completion and classification of images, within a single deep probabilistic setting, while avoiding the pitfalls of mean-field inference in traditional RBMs.
Learned Initializations for Optimizing Coordinate-Based Neural Representations
Coordinate-based neural representations have shown significant promise as an alternative to discrete, array-based representations for complex low dimensional signals. However, optimizing a coordinate-based network from randomly initialized weights for each new signal is inefficient. We propose applying standard meta-learning algorithms to learn the initial weight parameters for these fully-connected networks based on the underlying class of signals being represented (e.g., images of faces or 3D models of chairs). Despite requiring only a minor change in implementation, using these learned initial weights enables faster convergence during optimization and can serve as a strong prior over the signal class being modeled, resulting in better generalization when only partial observations of a given signal are available. We explore these benefits across a variety of tasks, including representing 2D images, reconstructing CT scans, and recovering 3D shapes and scenes from 2D image observations.
Frequency Dynamic Convolution for Dense Image Prediction
While Dynamic Convolution (DY-Conv) has shown promising performance by enabling adaptive weight selection through multiple parallel weights combined with an attention mechanism, the frequency response of these weights tends to exhibit high similarity, resulting in high parameter costs but limited adaptability. In this work, we introduce Frequency Dynamic Convolution (FDConv), a novel approach that mitigates these limitations by learning a fixed parameter budget in the Fourier domain. FDConv divides this budget into frequency-based groups with disjoint Fourier indices, enabling the construction of frequency-diverse weights without increasing the parameter cost. To further enhance adaptability, we propose Kernel Spatial Modulation (KSM) and Frequency Band Modulation (FBM). KSM dynamically adjusts the frequency response of each filter at the spatial level, while FBM decomposes weights into distinct frequency bands in the frequency domain and modulates them dynamically based on local content. Extensive experiments on object detection, segmentation, and classification validate the effectiveness of FDConv. We demonstrate that when applied to ResNet-50, FDConv achieves superior performance with a modest increase of +3.6M parameters, outperforming previous methods that require substantial increases in parameter budgets (e.g., CondConv +90M, KW +76.5M). Moreover, FDConv seamlessly integrates into a variety of architectures, including ConvNeXt, Swin-Transformer, offering a flexible and efficient solution for modern vision tasks. The code is made publicly available at https://github.com/Linwei-Chen/FDConv.
Fire Together Wire Together: A Dynamic Pruning Approach with Self-Supervised Mask Prediction
Dynamic model pruning is a recent direction that allows for the inference of a different sub-network for each input sample during deployment. However, current dynamic methods rely on learning a continuous channel gating through regularization by inducing sparsity loss. This formulation introduces complexity in balancing different losses (e.g task loss, regularization loss). In addition, regularization based methods lack transparent tradeoff hyperparameter selection to realize a computational budget. Our contribution is two-fold: 1) decoupled task and pruning losses. 2) Simple hyperparameter selection that enables FLOPs reduction estimation before training. Inspired by the Hebbian theory in Neuroscience: "neurons that fire together wire together", we propose to predict a mask to process k filters in a layer based on the activation of its previous layer. We pose the problem as a self-supervised binary classification problem. Each mask predictor module is trained to predict if the log-likelihood for each filter in the current layer belongs to the top-k activated filters. The value k is dynamically estimated for each input based on a novel criterion using the mass of heatmaps. We show experiments on several neural architectures, such as VGG, ResNet and MobileNet on CIFAR and ImageNet datasets. On CIFAR, we reach similar accuracy to SOTA methods with 15% and 24% higher FLOPs reduction. Similarly in ImageNet, we achieve lower drop in accuracy with up to 13% improvement in FLOPs reduction.
Subhomogeneous Deep Equilibrium Models
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.
A theory of representation learning gives a deep generalisation of kernel methods
The successes of modern deep machine learning methods are founded on their ability to transform inputs across multiple layers to build good high-level representations. It is therefore critical to understand this process of representation learning. However, standard theoretical approaches (formally NNGPs) involving infinite width limits eliminate representation learning. We therefore develop a new infinite width limit, the Bayesian representation learning limit, that exhibits representation learning mirroring that in finite-width models, yet at the same time, retains some of the simplicity of standard infinite-width limits. In particular, we show that Deep Gaussian processes (DGPs) in the Bayesian representation learning limit have exactly multivariate Gaussian posteriors, and the posterior covariances can be obtained by optimizing an interpretable objective combining a log-likelihood to improve performance with a series of KL-divergences which keep the posteriors close to the prior. We confirm these results experimentally in wide but finite DGPs. Next, we introduce the possibility of using this limit and objective as a flexible, deep generalisation of kernel methods, that we call deep kernel machines (DKMs). Like most naive kernel methods, DKMs scale cubically in the number of datapoints. We therefore use methods from the Gaussian process inducing point literature to develop a sparse DKM that scales linearly in the number of datapoints. Finally, we extend these approaches to NNs (which have non-Gaussian posteriors) in the Appendices.
Parameter Prediction for Unseen Deep Architectures
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.
Fully Convolutional Networks for Semantic Segmentation
Convolutional networks are powerful visual models that yield hierarchies of features. We show that convolutional networks by themselves, trained end-to-end, pixels-to-pixels, improve on the previous best result in semantic segmentation. Our key insight is to build "fully convolutional" networks that take input of arbitrary size and produce correspondingly-sized output with efficient inference and learning. We define and detail the space of fully convolutional networks, explain their application to spatially dense prediction tasks, and draw connections to prior models. We adapt contemporary classification networks (AlexNet, the VGG net, and GoogLeNet) into fully convolutional networks and transfer their learned representations by fine-tuning to the segmentation task. We then define a skip architecture that combines semantic information from a deep, coarse layer with appearance information from a shallow, fine layer to produce accurate and detailed segmentations. Our fully convolutional network achieves improved segmentation of PASCAL VOC (30% relative improvement to 67.2% mean IU on 2012), NYUDv2, SIFT Flow, and PASCAL-Context, while inference takes one tenth of a second for a typical image.
Bit-wise Training of Neural Network Weights
We introduce an algorithm where the individual bits representing the weights of a neural network are learned. This method allows training weights with integer values on arbitrary bit-depths and naturally uncovers sparse networks, without additional constraints or regularization techniques. We show better results than the standard training technique with fully connected networks and similar performance as compared to standard training for convolutional and residual networks. By training bits in a selective manner we found that the biggest contribution to achieving high accuracy is given by the first three most significant bits, while the rest provide an intrinsic regularization. As a consequence more than 90\% of a network can be used to store arbitrary codes without affecting its accuracy. These codes may be random noise, binary files or even the weights of previously trained networks.
A Novel Predictive-Coding-Inspired Variational RNN Model for Online Prediction and Recognition
This study introduces PV-RNN, a novel variational RNN inspired by the predictive-coding ideas. The model learns to extract the probabilistic structures hidden in fluctuating temporal patterns by dynamically changing the stochasticity of its latent states. Its architecture attempts to address two major concerns of variational Bayes RNNs: how can latent variables learn meaningful representations and how can the inference model transfer future observations to the latent variables. PV-RNN does both by introducing adaptive vectors mirroring the training data, whose values can then be adapted differently during evaluation. Moreover, prediction errors during backpropagation, rather than external inputs during the forward computation, are used to convey information to the network about the external data. For testing, we introduce error regression for predicting unseen sequences as inspired by predictive coding that leverages those mechanisms. The model introduces a weighting parameter, the meta-prior, to balance the optimization pressure placed on two terms of a lower bound on the marginal likelihood of the sequential data. We test the model on two datasets with probabilistic structures and show that with high values of the meta-prior the network develops deterministic chaos through which the data's randomness is imitated. For low values, the model behaves as a random process. The network performs best on intermediate values, and is able to capture the latent probabilistic structure with good generalization. Analyzing the meta-prior's impact on the network allows to precisely study the theoretical value and practical benefits of incorporating stochastic dynamics in our model. We demonstrate better prediction performance on a robot imitation task with our model using error regression compared to a standard variational Bayes model lacking such a procedure.
Training the Untrainable: Introducing Inductive Bias via Representational Alignment
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.
The Hessian perspective into the Nature of Convolutional Neural Networks
While Convolutional Neural Networks (CNNs) have long been investigated and applied, as well as theorized, we aim to provide a slightly different perspective into their nature -- through the perspective of their Hessian maps. The reason is that the loss Hessian captures the pairwise interaction of parameters and therefore forms a natural ground to probe how the architectural aspects of CNN get manifested in its structure and properties. We develop a framework relying on Toeplitz representation of CNNs, and then utilize it to reveal the Hessian structure and, in particular, its rank. We prove tight upper bounds (with linear activations), which closely follow the empirical trend of the Hessian rank and hold in practice in more general settings. Overall, our work generalizes and establishes the key insight that, even in CNNs, the Hessian rank grows as the square root of the number of parameters.
Theoretical Understanding of Learning from Adversarial Perturbations
It is not fully understood why adversarial examples can deceive neural networks and transfer between different networks. To elucidate this, several studies have hypothesized that adversarial perturbations, while appearing as noises, contain class features. This is supported by empirical evidence showing that networks trained on mislabeled adversarial examples can still generalize well to correctly labeled test samples. However, a theoretical understanding of how perturbations include class features and contribute to generalization is limited. In this study, we provide a theoretical framework for understanding learning from perturbations using a one-hidden-layer network trained on mutually orthogonal samples. Our results highlight that various adversarial perturbations, even perturbations of a few pixels, contain sufficient class features for generalization. Moreover, we reveal that the decision boundary when learning from perturbations matches that from standard samples except for specific regions under mild conditions. The code is available at https://github.com/s-kumano/learning-from-adversarial-perturbations.
Deeply-Supervised Nets
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).
White-Box Transformers via Sparse Rate Reduction
In this paper, we contend that the objective of representation learning is to compress and transform the distribution of the data, say sets of tokens, towards a mixture of low-dimensional Gaussian distributions supported on incoherent subspaces. The quality of the final representation can be measured by a unified objective function called sparse rate reduction. From this perspective, popular deep networks such as transformers can be naturally viewed as realizing iterative schemes to optimize this objective incrementally. Particularly, we show that the standard transformer block can be derived from alternating optimization on complementary parts of this objective: the multi-head self-attention operator can be viewed as a gradient descent step to compress the token sets by minimizing their lossy coding rate, and the subsequent multi-layer perceptron can be viewed as attempting to sparsify the representation of the tokens. This leads to a family of white-box transformer-like deep network architectures which are mathematically fully interpretable. Despite their simplicity, experiments show that these networks indeed learn to optimize the designed objective: they compress and sparsify representations of large-scale real-world vision datasets such as ImageNet, and achieve performance very close to thoroughly engineered transformers such as ViT. Code is at https://github.com/Ma-Lab-Berkeley/CRATE.
Very Deep Convolutional Networks for Large-Scale Image Recognition
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.
When is a Convolutional Filter Easy To Learn?
We analyze the convergence of (stochastic) gradient descent algorithm for learning a convolutional filter with Rectified Linear Unit (ReLU) activation function. Our analysis does not rely on any specific form of the input distribution and our proofs only use the definition of ReLU, in contrast with previous works that are restricted to standard Gaussian input. We show that (stochastic) gradient descent with random initialization can learn the convolutional filter in polynomial time and the convergence rate depends on the smoothness of the input distribution and the closeness of patches. To the best of our knowledge, this is the first recovery guarantee of gradient-based algorithms for convolutional filter on non-Gaussian input distributions. Our theory also justifies the two-stage learning rate strategy in deep neural networks. While our focus is theoretical, we also present experiments that illustrate our theoretical findings.
Neural Ordinary Differential Equations
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.
Fully Convolutional Networks for Semantic Segmentation
Convolutional networks are powerful visual models that yield hierarchies of features. We show that convolutional networks by themselves, trained end-to-end, pixels-to-pixels, exceed the state-of-the-art in semantic segmentation. Our key insight is to build "fully convolutional" networks that take input of arbitrary size and produce correspondingly-sized output with efficient inference and learning. We define and detail the space of fully convolutional networks, explain their application to spatially dense prediction tasks, and draw connections to prior models. We adapt contemporary classification networks (AlexNet, the VGG net, and GoogLeNet) into fully convolutional networks and transfer their learned representations by fine-tuning to the segmentation task. We then define a novel architecture that combines semantic information from a deep, coarse layer with appearance information from a shallow, fine layer to produce accurate and detailed segmentations. Our fully convolutional network achieves state-of-the-art segmentation of PASCAL VOC (20% relative improvement to 62.2% mean IU on 2012), NYUDv2, and SIFT Flow, while inference takes one third of a second for a typical image.
KANQAS: Kolmogorov-Arnold Network for Quantum Architecture Search
Quantum architecture Search (QAS) is a promising direction for optimization and automated design of quantum circuits towards quantum advantage. Recent techniques in QAS emphasize Multi-Layer Perceptron (MLP)-based deep Q-networks. However, their interpretability remains challenging due to the large number of learnable parameters and the complexities involved in selecting appropriate activation functions. In this work, to overcome these challenges, we utilize the Kolmogorov-Arnold Network (KAN) in the QAS algorithm, analyzing their efficiency in the task of quantum state preparation and quantum chemistry. In quantum state preparation, our results show that in a noiseless scenario, the probability of success is 2 to 5 times higher than MLPs. In noisy environments, KAN outperforms MLPs in fidelity when approximating these states, showcasing its robustness against noise. In tackling quantum chemistry problems, we enhance the recently proposed QAS algorithm by integrating curriculum reinforcement learning with a KAN structure. This facilitates a more efficient design of parameterized quantum circuits by reducing the number of required 2-qubit gates and circuit depth. Further investigation reveals that KAN requires a significantly smaller number of learnable parameters compared to MLPs; however, the average time of executing each episode for KAN is higher.
Neural Collapse in Deep Linear Networks: From Balanced to Imbalanced Data
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.
Learning words in groups: fusion algebras, tensor ranks and grokking
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.
Information Shapes Koopman Representation
The Koopman operator provides a powerful framework for modeling dynamical systems and has attracted growing interest from the machine learning community. However, its infinite-dimensional nature makes identifying suitable finite-dimensional subspaces challenging, especially for deep architectures. We argue that these difficulties come from suboptimal representation learning, where latent variables fail to balance expressivity and simplicity. This tension is closely related to the information bottleneck (IB) dilemma: constructing compressed representations that are both compact and predictive. Rethinking Koopman learning through this lens, we demonstrate that latent mutual information promotes simplicity, yet an overemphasis on simplicity may cause latent space to collapse onto a few dominant modes. In contrast, expressiveness is sustained by the von Neumann entropy, which prevents such collapse and encourages mode diversity. This insight leads us to propose an information-theoretic Lagrangian formulation that explicitly balances this tradeoff. Furthermore, we propose a new algorithm based on the Lagrangian formulation that encourages both simplicity and expressiveness, leading to a stable and interpretable Koopman representation. Beyond quantitative evaluations, we further visualize the learned manifolds under our representations, observing empirical results consistent with our theoretical predictions. Finally, we validate our approach across a diverse range of dynamical systems, demonstrating improved performance over existing Koopman learning methods. The implementation is publicly available at https://github.com/Wenxuan52/InformationKoopman.
Role of Locality and Weight Sharing in Image-Based Tasks: A Sample Complexity Separation between CNNs, LCNs, and FCNs
Vision tasks are characterized by the properties of locality and translation invariance. The superior performance of convolutional neural networks (CNNs) on these tasks is widely attributed to the inductive bias of locality and weight sharing baked into their architecture. Existing attempts to quantify the statistical benefits of these biases in CNNs over locally connected convolutional neural networks (LCNs) and fully connected neural networks (FCNs) fall into one of the following categories: either they disregard the optimizer and only provide uniform convergence upper bounds with no separating lower bounds, or they consider simplistic tasks that do not truly mirror the locality and translation invariance as found in real-world vision tasks. To address these deficiencies, we introduce the Dynamic Signal Distribution (DSD) classification task that models an image as consisting of k patches, each of dimension d, and the label is determined by a d-sparse signal vector that can freely appear in any one of the k patches. On this task, for any orthogonally equivariant algorithm like gradient descent, we prove that CNNs require O(k+d) samples, whereas LCNs require Omega(kd) samples, establishing the statistical advantages of weight sharing in translation invariant tasks. Furthermore, LCNs need O(k(k+d)) samples, compared to Omega(k^2d) samples for FCNs, showcasing the benefits of locality in local tasks. Additionally, we develop information theoretic tools for analyzing randomized algorithms, which may be of interest for statistical research.
Neuro-inspired Ensemble-to-Ensemble Communication Primitives for Sparse and Efficient ANNs
The structure of biological neural circuits-modular, hierarchical, and sparsely interconnected-reflects an efficient trade-off between wiring cost, functional specialization, and robustness. These principles offer valuable insights for artificial neural network (ANN) design, especially as networks grow in depth and scale. Sparsity, in particular, has been widely explored for reducing memory and computation, improving speed, and enhancing generalization. Motivated by systems neuroscience findings, we explore how patterns of functional connectivity in the mouse visual cortex-specifically, ensemble-to-ensemble communication, can inform ANN design. We introduce G2GNet, a novel architecture that imposes sparse, modular connectivity across feedforward layers. Despite having significantly fewer parameters than fully connected models, G2GNet achieves superior accuracy on standard vision benchmarks. To our knowledge, this is the first architecture to incorporate biologically observed functional connectivity patterns as a structural bias in ANN design. We complement this static bias with a dynamic sparse training (DST) mechanism that prunes and regrows edges during training. We also propose a Hebbian-inspired rewiring rule based on activation correlations, drawing on principles of biological plasticity. G2GNet achieves up to 75% sparsity while improving accuracy by up to 4.3% on benchmarks, including Fashion-MNIST, CIFAR-10, and CIFAR-100, outperforming dense baselines with far fewer computations.
Wide Residual Networks
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
Enhancing Neural Training via a Correlated Dynamics Model
As neural networks grow in scale, their training becomes both computationally demanding and rich in dynamics. Amidst the flourishing interest in these training dynamics, we present a novel observation: Parameters during training exhibit intrinsic correlations over time. Capitalizing on this, we introduce Correlation Mode Decomposition (CMD). This algorithm clusters the parameter space into groups, termed modes, that display synchronized behavior across epochs. This enables CMD to efficiently represent the training dynamics of complex networks, like ResNets and Transformers, using only a few modes. Moreover, test set generalization is enhanced. We introduce an efficient CMD variant, designed to run concurrently with training. Our experiments indicate that CMD surpasses the state-of-the-art method for compactly modeled dynamics on image classification. Our modeling can improve training efficiency and lower communication overhead, as shown by our preliminary experiments in the context of federated learning.
Navigating the Latent Space Dynamics of Neural Models
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.
Analyzing and Improving the Training Dynamics of Diffusion Models
Diffusion models currently dominate the field of data-driven image synthesis with their unparalleled scaling to large datasets. In this paper, we identify and rectify several causes for uneven and ineffective training in the popular ADM diffusion model architecture, without altering its high-level structure. Observing uncontrolled magnitude changes and imbalances in both the network activations and weights over the course of training, we redesign the network layers to preserve activation, weight, and update magnitudes on expectation. We find that systematic application of this philosophy eliminates the observed drifts and imbalances, resulting in considerably better networks at equal computational complexity. Our modifications improve the previous record FID of 2.41 in ImageNet-512 synthesis to 1.81, achieved using fast deterministic sampling. As an independent contribution, we present a method for setting the exponential moving average (EMA) parameters post-hoc, i.e., after completing the training run. This allows precise tuning of EMA length without the cost of performing several training runs, and reveals its surprising interactions with network architecture, training time, and guidance.
Polynomial Composition Activations: Unleashing the Dynamics of Large Language Models
Transformers have found extensive applications across various domains due to the powerful fitting capabilities. This success can be partially attributed to their inherent nonlinearity. Thus, in addition to the ReLU function employed in the original transformer architecture, researchers have explored alternative modules such as GeLU and SwishGLU to enhance nonlinearity and thereby augment representational capacity. In this paper, we propose a novel category of polynomial composition activations (PolyCom), designed to optimize the dynamics of transformers. Theoretically, we provide a comprehensive mathematical analysis of PolyCom, highlighting its enhanced expressivity and efficacy relative to other activation functions. Notably, we demonstrate that networks incorporating PolyCom achieve the optimal approximation rate, indicating that PolyCom networks require minimal parameters to approximate general smooth functions in Sobolev spaces. We conduct empirical experiments on the pre-training configurations of large language models (LLMs), including both dense and sparse architectures. By substituting conventional activation functions with PolyCom, we enable LLMs to capture higher-order interactions within the data, thus improving performance metrics in terms of accuracy and convergence rates. Extensive experimental results demonstrate the effectiveness of our method, showing substantial improvements over other activation functions. Code is available at https://github.com/BryceZhuo/PolyCom.
An Algorithm for Computing with Brauer's Group Equivariant Neural Network Layers
The learnable, linear neural network layers between tensor power spaces of R^{n} that are equivariant to the orthogonal group, O(n), the special orthogonal group, SO(n), and the symplectic group, Sp(n), were characterised in arXiv:2212.08630. We present an algorithm for multiplying a vector by any weight matrix for each of these groups, using category theoretic constructions to implement the procedure. We achieve a significant reduction in computational cost compared with a naive implementation by making use of Kronecker product matrices to perform the multiplication. We show that our approach extends to the symmetric group, S_n, recovering the algorithm of arXiv:2303.06208 in the process.
Towards Distributed Neural Architectures
We introduce and train distributed neural architectures (DNA) in vision and language domains. DNAs are initialized with a proto-architecture that consists of (transformer, MLP, attention, etc.) modules and routers. Any token (or patch) can traverse any series of modules in any order. DNAs are a natural generalization of the sparse methods such as Mixture-of-Experts, Mixture-of-Depths, parameter sharing, etc. Computation and communication patterns of DNA modules are learnt end-to-end during training and depend on the content and context of each token (or patch). These patterns can be shaped by further requirements added to the optimization objective such as compute/memory efficiency or load balancing. We empirically show that (i) trained DNAs are competitive with the dense baselines in both domains and (ii) compute efficiency/parameter sharing can be learnt from data. Next, we analyze the emergent connectivity and computation patterns in the trained DNAs. We find that the paths that tokens take through the models are themselves distributed according to a power-law. We show that some paths (or, equivalently, groups of modules) show emergent specialization. Finally, we demonstrate that models learn to allocate compute and active parameters in an interpretable way.
Sparse Spiking Neural Network: Exploiting Heterogeneity in Timescales for Pruning Recurrent SNN
Recurrent Spiking Neural Networks (RSNNs) have emerged as a computationally efficient and brain-inspired learning model. The design of sparse RSNNs with fewer neurons and synapses helps reduce the computational complexity of RSNNs. Traditionally, sparse SNNs are obtained by first training a dense and complex SNN for a target task, and, then, pruning neurons with low activity (activity-based pruning) while maintaining task performance. In contrast, this paper presents a task-agnostic methodology for designing sparse RSNNs by pruning a large randomly initialized model. We introduce a novel Lyapunov Noise Pruning (LNP) algorithm that uses graph sparsification methods and utilizes Lyapunov exponents to design a stable sparse RSNN from a randomly initialized RSNN. We show that the LNP can leverage diversity in neuronal timescales to design a sparse Heterogeneous RSNN (HRSNN). Further, we show that the same sparse HRSNN model can be trained for different tasks, such as image classification and temporal prediction. We experimentally show that, in spite of being task-agnostic, LNP increases computational efficiency (fewer neurons and synapses) and prediction performance of RSNNs compared to traditional activity-based pruning of trained dense models.
Understanding deep learning requires rethinking generalization
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.
A Provably Effective Method for Pruning Experts in Fine-tuned Sparse Mixture-of-Experts
The sparsely gated mixture of experts (MoE) architecture sends different inputs to different subnetworks, i.e., experts, through trainable routers. MoE reduces the training computation significantly for large models, but its deployment can be still memory or computation expensive for some downstream tasks. Model pruning is a popular approach to reduce inference computation, but its application in MoE architecture is largely unexplored. To the best of our knowledge, this paper provides the first provably efficient technique for pruning experts in finetuned MoE models. We theoretically prove that prioritizing the pruning of the experts with a smaller change of the routers l2 norm from the pretrained model guarantees the preservation of test accuracy, while significantly reducing the model size and the computational requirements. Although our theoretical analysis is centered on binary classification tasks on simplified MoE architecture, our expert pruning method is verified on large vision MoE models such as VMoE and E3MoE finetuned on benchmark datasets such as CIFAR10, CIFAR100, and ImageNet.
DenseNets Reloaded: Paradigm Shift Beyond ResNets and ViTs
This paper revives Densely Connected Convolutional Networks (DenseNets) and reveals the underrated effectiveness over predominant ResNet-style architectures. We believe DenseNets' potential was overlooked due to untouched training methods and traditional design elements not fully revealing their capabilities. Our pilot study shows dense connections through concatenation are strong, demonstrating that DenseNets can be revitalized to compete with modern architectures. We methodically refine suboptimal components - architectural adjustments, block redesign, and improved training recipes towards widening DenseNets and boosting memory efficiency while keeping concatenation shortcuts. Our models, employing simple architectural elements, ultimately surpass Swin Transformer, ConvNeXt, and DeiT-III - key architectures in the residual learning lineage. Furthermore, our models exhibit near state-of-the-art performance on ImageNet-1K, competing with the very recent models and downstream tasks, ADE20k semantic segmentation, and COCO object detection/instance segmentation. Finally, we provide empirical analyses that uncover the merits of the concatenation over additive shortcuts, steering a renewed preference towards DenseNet-style designs. Our code is available at https://github.com/naver-ai/rdnet.
DeepPermNet: Visual Permutation Learning
We present a principled approach to uncover the structure of visual data by solving a novel deep learning task coined visual permutation learning. The goal of this task is to find the permutation that recovers the structure of data from shuffled versions of it. In the case of natural images, this task boils down to recovering the original image from patches shuffled by an unknown permutation matrix. Unfortunately, permutation matrices are discrete, thereby posing difficulties for gradient-based methods. To this end, we resort to a continuous approximation of these matrices using doubly-stochastic matrices which we generate from standard CNN predictions using Sinkhorn iterations. Unrolling these iterations in a Sinkhorn network layer, we propose DeepPermNet, an end-to-end CNN model for this task. The utility of DeepPermNet is demonstrated on two challenging computer vision problems, namely, (i) relative attributes learning and (ii) self-supervised representation learning. Our results show state-of-the-art performance on the Public Figures and OSR benchmarks for (i) and on the classification and segmentation tasks on the PASCAL VOC dataset for (ii).
Dilated convolution with learnable spacings
Recent works indicate that convolutional neural networks (CNN) need large receptive fields (RF) to compete with visual transformers and their attention mechanism. In CNNs, RFs can simply be enlarged by increasing the convolution kernel sizes. Yet the number of trainable parameters, which scales quadratically with the kernel's size in the 2D case, rapidly becomes prohibitive, and the training is notoriously difficult. This paper presents a new method to increase the RF size without increasing the number of parameters. The dilated convolution (DC) has already been proposed for the same purpose. DC can be seen as a convolution with a kernel that contains only a few non-zero elements placed on a regular grid. Here we present a new version of the DC in which the spacings between the non-zero elements, or equivalently their positions, are no longer fixed but learnable via backpropagation thanks to an interpolation technique. We call this method "Dilated Convolution with Learnable Spacings" (DCLS) and generalize it to the n-dimensional convolution case. However, our main focus here will be on the 2D case. We first tried our approach on ResNet50: we drop-in replaced the standard convolutions with DCLS ones, which increased the accuracy of ImageNet1k classification at iso-parameters, but at the expense of the throughput. Next, we used the recent ConvNeXt state-of-the-art convolutional architecture and drop-in replaced the depthwise convolutions with DCLS ones. This not only increased the accuracy of ImageNet1k classification but also of typical downstream and robustness tasks, again at iso-parameters but this time with negligible cost on throughput, as ConvNeXt uses separable convolutions. Conversely, classic DC led to poor performance with both ResNet50 and ConvNeXt. The code of the method is available at: https://github.com/K-H-Ismail/Dilated-Convolution-with-Learnable-Spacings-PyTorch.
Identity Mappings in Deep Residual Networks
Deep residual networks have emerged as a family of extremely deep architectures showing compelling accuracy and nice convergence behaviors. In this paper, we analyze the propagation formulations behind the residual building blocks, which suggest that the forward and backward signals can be directly propagated from one block to any other block, when using identity mappings as the skip connections and after-addition activation. A series of ablation experiments support the importance of these identity mappings. This motivates us to propose a new residual unit, which makes training easier and improves generalization. We report improved results using a 1001-layer ResNet on CIFAR-10 (4.62% error) and CIFAR-100, and a 200-layer ResNet on ImageNet. Code is available at: https://github.com/KaimingHe/resnet-1k-layers
Progressive Neural Architecture Search
We propose a new method for learning the structure of convolutional neural networks (CNNs) that is more efficient than recent state-of-the-art methods based on reinforcement learning and evolutionary algorithms. Our approach uses a sequential model-based optimization (SMBO) strategy, in which we search for structures in order of increasing complexity, while simultaneously learning a surrogate model to guide the search through structure space. Direct comparison under the same search space shows that our method is up to 5 times more efficient than the RL method of Zoph et al. (2018) in terms of number of models evaluated, and 8 times faster in terms of total compute. The structures we discover in this way achieve state of the art classification accuracies on CIFAR-10 and ImageNet.
Principled Architecture-aware Scaling of Hyperparameters
Training a high-quality deep neural network requires choosing suitable hyperparameters, which is a non-trivial and expensive process. Current works try to automatically optimize or design principles of hyperparameters, such that they can generalize to diverse unseen scenarios. However, most designs or optimization methods are agnostic to the choice of network structures, and thus largely ignore the impact of neural architectures on hyperparameters. In this work, we precisely characterize the dependence of initializations and maximal learning rates on the network architecture, which includes the network depth, width, convolutional kernel size, and connectivity patterns. By pursuing every parameter to be maximally updated with the same mean squared change in pre-activations, we can generalize our initialization and learning rates across MLPs (multi-layer perception) and CNNs (convolutional neural network) with sophisticated graph topologies. We verify our principles with comprehensive experiments. More importantly, our strategy further sheds light on advancing current benchmarks for architecture design. A fair comparison of AutoML algorithms requires accurate network rankings. However, we demonstrate that network rankings can be easily changed by better training networks in benchmarks with our architecture-aware learning rates and initialization.
On the hardness of learning under symmetries
We study the problem of learning equivariant neural networks via gradient descent. The incorporation of known symmetries ("equivariance") into neural nets has empirically improved the performance of learning pipelines, in domains ranging from biology to computer vision. However, a rich yet separate line of learning theoretic research has demonstrated that actually learning shallow, fully-connected (i.e. non-symmetric) networks has exponential complexity in the correlational statistical query (CSQ) model, a framework encompassing gradient descent. In this work, we ask: are known problem symmetries sufficient to alleviate the fundamental hardness of learning neural nets with gradient descent? We answer this question in the negative. In particular, we give lower bounds for shallow graph neural networks, convolutional networks, invariant polynomials, and frame-averaged networks for permutation subgroups, which all scale either superpolynomially or exponentially in the relevant input dimension. Therefore, in spite of the significant inductive bias imparted via symmetry, actually learning the complete classes of functions represented by equivariant neural networks via gradient descent remains hard.
On residual network depth
Deep residual architectures, such as ResNet and the Transformer, have enabled models of unprecedented depth, yet a formal understanding of why depth is so effective remains an open question. A popular intuition, following Veit et al. (2016), is that these residual networks behave like ensembles of many shallower models. Our key finding is an explicit analytical formula that verifies this ensemble perspective, proving that increasing network depth is mathematically equivalent to expanding the size of this implicit ensemble. Furthermore, our expansion reveals a hierarchical ensemble structure in which the combinatorial growth of computation paths leads to an explosion in the output signal, explaining the historical necessity of normalization layers in training deep models. This insight offers a first principles explanation for the historical dependence on normalization layers and sheds new light on a family of successful normalization-free techniques like SkipInit and Fixup. However, while these previous approaches infer scaling factors through optimizer analysis or a heuristic analogy to Batch Normalization, our work offers the first explanation derived directly from the network's inherent functional structure. Specifically, our Residual Expansion Theorem reveals that scaling each residual module provides a principled solution to taming the combinatorial explosion inherent to these architectures. We further show that this scaling acts as a capacity controls that also implicitly regularizes the model's complexity.
Parallel Learning by Multitasking Neural Networks
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).
Operator Learning Meets Numerical Analysis: Improving Neural Networks through Iterative Methods
Deep neural networks, despite their success in numerous applications, often function without established theoretical foundations. In this paper, we bridge this gap by drawing parallels between deep learning and classical numerical analysis. By framing neural networks as operators with fixed points representing desired solutions, we develop a theoretical framework grounded in iterative methods for operator equations. Under defined conditions, we present convergence proofs based on fixed point theory. We demonstrate that popular architectures, such as diffusion models and AlphaFold, inherently employ iterative operator learning. Empirical assessments highlight that performing iterations through network operators improves performance. We also introduce an iterative graph neural network, PIGN, that further demonstrates benefits of iterations. Our work aims to enhance the understanding of deep learning by merging insights from numerical analysis, potentially guiding the design of future networks with clearer theoretical underpinnings and improved performance.
Exploring Simple Siamese Representation Learning
Siamese networks have become a common structure in various recent models for unsupervised visual representation learning. These models maximize the similarity between two augmentations of one image, subject to certain conditions for avoiding collapsing solutions. In this paper, we report surprising empirical results that simple Siamese networks can learn meaningful representations even using none of the following: (i) negative sample pairs, (ii) large batches, (iii) momentum encoders. Our experiments show that collapsing solutions do exist for the loss and structure, but a stop-gradient operation plays an essential role in preventing collapsing. We provide a hypothesis on the implication of stop-gradient, and further show proof-of-concept experiments verifying it. Our "SimSiam" method achieves competitive results on ImageNet and downstream tasks. We hope this simple baseline will motivate people to rethink the roles of Siamese architectures for unsupervised representation learning. Code will be made available.
Beam Tree Recursive Cells
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.
CondConv: Conditionally Parameterized Convolutions for Efficient Inference
Convolutional layers are one of the basic building blocks of modern deep neural networks. One fundamental assumption is that convolutional kernels should be shared for all examples in a dataset. We propose conditionally parameterized convolutions (CondConv), which learn specialized convolutional kernels for each example. Replacing normal convolutions with CondConv enables us to increase the size and capacity of a network, while maintaining efficient inference. We demonstrate that scaling networks with CondConv improves the performance and inference cost trade-off of several existing convolutional neural network architectures on both classification and detection tasks. On ImageNet classification, our CondConv approach applied to EfficientNet-B0 achieves state-of-the-art performance of 78.3% accuracy with only 413M multiply-adds. Code and checkpoints for the CondConv Tensorflow layer and CondConv-EfficientNet models are available at: https://github.com/tensorflow/tpu/tree/master/models/official/efficientnet/condconv.
Finite size corrections for neural network Gaussian processes
There has been a recent surge of interest in modeling neural networks (NNs) as Gaussian processes. In the limit of a NN of infinite width the NN becomes equivalent to a Gaussian process. Here we demonstrate that for an ensemble of large, finite, fully connected networks with a single hidden layer the distribution of outputs at initialization is well described by a Gaussian perturbed by the fourth Hermite polynomial for weights drawn from a symmetric distribution. We show that the scale of the perturbation is inversely proportional to the number of units in the NN and that higher order terms decay more rapidly, thereby recovering the Edgeworth expansion. We conclude by observing that understanding how this perturbation changes under training would reveal the regimes in which the Gaussian process framework is valid to model NN behavior.
Depthwise Hyperparameter Transfer in Residual Networks: Dynamics and Scaling Limit
The cost of hyperparameter tuning in deep learning has been rising with model sizes, prompting practitioners to find new tuning methods using a proxy of smaller networks. One such proposal uses muP parameterized networks, where the optimal hyperparameters for small width networks transfer to networks with arbitrarily large width. However, in this scheme, hyperparameters do not transfer across depths. As a remedy, we study residual networks with a residual branch scale of 1/text{depth} in combination with the muP parameterization. We provide experiments demonstrating that residual architectures including convolutional ResNets and Vision Transformers trained with this parameterization exhibit transfer of optimal hyperparameters across width and depth on CIFAR-10 and ImageNet. Furthermore, our empirical findings are supported and motivated by theory. Using recent developments in the dynamical mean field theory (DMFT) description of neural network learning dynamics, we show that this parameterization of ResNets admits a well-defined feature learning joint infinite-width and infinite-depth limit and show convergence of finite-size network dynamics towards this limit.
DeepONet: Learning nonlinear operators for identifying differential equations based on the universal approximation theorem of operators
While it is widely known that neural networks are universal approximators of continuous functions, a less known and perhaps more powerful result is that a neural network with a single hidden layer can approximate accurately any nonlinear continuous operator. This universal approximation theorem is suggestive of the potential application of neural networks in learning nonlinear operators from data. However, the theorem guarantees only a small approximation error for a sufficient large network, and does not consider the important optimization and generalization errors. To realize this theorem in practice, we propose deep operator networks (DeepONets) to learn operators accurately and efficiently from a relatively small dataset. A DeepONet consists of two sub-networks, one for encoding the input function at a fixed number of sensors x_i, i=1,dots,m (branch net), and another for encoding the locations for the output functions (trunk net). We perform systematic simulations for identifying two types of operators, i.e., dynamic systems and partial differential equations, and demonstrate that DeepONet significantly reduces the generalization error compared to the fully-connected networks. We also derive theoretically the dependence of the approximation error in terms of the number of sensors (where the input function is defined) as well as the input function type, and we verify the theorem with computational results. More importantly, we observe high-order error convergence in our computational tests, namely polynomial rates (from half order to fourth order) and even exponential convergence with respect to the training dataset size.
DC is all you need: describing ReLU from a signal processing standpoint
Non-linear activation functions are crucial in Convolutional Neural Networks. However, until now they have not been well described in the frequency domain. In this work, we study the spectral behavior of ReLU, a popular activation function. We use the ReLU's Taylor expansion to derive its frequency domain behavior. We demonstrate that ReLU introduces higher frequency oscillations in the signal and a constant DC component. Furthermore, we investigate the importance of this DC component, where we demonstrate that it helps the model extract meaningful features related to the input frequency content. We accompany our theoretical derivations with experiments and real-world examples. First, we numerically validate our frequency response model. Then we observe ReLU's spectral behavior on two example models and a real-world one. Finally, we experimentally investigate the role of the DC component introduced by ReLU in the CNN's representations. Our results indicate that the DC helps to converge to a weight configuration that is close to the initial random weights.
Diffusion Models Beat GANs on Image Classification
While many unsupervised learning models focus on one family of tasks, either generative or discriminative, we explore the possibility of a unified representation learner: a model which uses a single pre-training stage to address both families of tasks simultaneously. We identify diffusion models as a prime candidate. Diffusion models have risen to prominence as a state-of-the-art method for image generation, denoising, inpainting, super-resolution, manipulation, etc. Such models involve training a U-Net to iteratively predict and remove noise, and the resulting model can synthesize high fidelity, diverse, novel images. The U-Net architecture, as a convolution-based architecture, generates a diverse set of feature representations in the form of intermediate feature maps. We present our findings that these embeddings are useful beyond the noise prediction task, as they contain discriminative information and can also be leveraged for classification. We explore optimal methods for extracting and using these embeddings for classification tasks, demonstrating promising results on the ImageNet classification task. We find that with careful feature selection and pooling, diffusion models outperform comparable generative-discriminative methods such as BigBiGAN for classification tasks. We investigate diffusion models in the transfer learning regime, examining their performance on several fine-grained visual classification datasets. We compare these embeddings to those generated by competing architectures and pre-trainings for classification tasks.
Quantum Variational Activation Functions Empower Kolmogorov-Arnold Networks
Variational quantum circuits (VQCs) are central to quantum machine learning, while recent progress in Kolmogorov-Arnold networks (KANs) highlights the power of learnable activation functions. We unify these directions by introducing quantum variational activation functions (QVAFs), realized through single-qubit data re-uploading circuits called DatA Re-Uploading ActivatioNs (DARUANs). We show that DARUAN with trainable weights in data pre-processing possesses an exponentially growing frequency spectrum with data repetitions, enabling an exponential reduction in parameter size compared with Fourier-based activations without loss of expressivity. Embedding DARUAN into KANs yields quantum-inspired KANs (QKANs), which retain the interpretability of KANs while improving their parameter efficiency, expressivity, and generalization. We further introduce two novel techniques to enhance scalability, feasibility and computational efficiency, such as layer extension and hybrid QKANs (HQKANs) as drop-in replacements of multi-layer perceptrons (MLPs) for feed-forward networks in large-scale models. We provide theoretical analysis and extensive experiments on function regression, image classification, and autoregressive generative language modeling, demonstrating the efficiency and scalability of QKANs. DARUANs and QKANs offer a promising direction for advancing quantum machine learning on both noisy intermediate-scale quantum (NISQ) hardware and classical quantum simulators.
A Characterization Theorem for Equivariant Networks with Point-wise Activations
Equivariant neural networks have shown improved performance, expressiveness and sample complexity on symmetrical domains. But for some specific symmetries, representations, and choice of coordinates, the most common point-wise activations, such as ReLU, are not equivariant, hence they cannot be employed in the design of equivariant neural networks. The theorem we present in this paper describes all possible combinations of finite-dimensional representations, choice of coordinates and point-wise activations to obtain an exactly equivariant layer, generalizing and strengthening existing characterizations. Notable cases of practical relevance are discussed as corollaries. Indeed, we prove that rotation-equivariant networks can only be invariant, as it happens for any network which is equivariant with respect to connected compact groups. Then, we discuss implications of our findings when applied to important instances of exactly equivariant networks. First, we completely characterize permutation equivariant networks such as Invariant Graph Networks with point-wise nonlinearities and their geometric counterparts, highlighting a plethora of models whose expressive power and performance are still unknown. Second, we show that feature spaces of disentangled steerable convolutional neural networks are trivial representations.
Counter-Current Learning: A Biologically Plausible Dual Network Approach for Deep Learning
Despite its widespread use in neural networks, error backpropagation has faced criticism for its lack of biological plausibility, suffering from issues such as the backward locking problem and the weight transport problem. These limitations have motivated researchers to explore more biologically plausible learning algorithms that could potentially shed light on how biological neural systems adapt and learn. Inspired by the counter-current exchange mechanisms observed in biological systems, we propose counter-current learning (CCL), a biologically plausible framework for credit assignment in neural networks. This framework employs a feedforward network to process input data and a feedback network to process targets, with each network enhancing the other through anti-parallel signal propagation. By leveraging the more informative signals from the bottom layer of the feedback network to guide the updates of the top layer of the feedforward network and vice versa, CCL enables the simultaneous transformation of source inputs to target outputs and the dynamic mutual influence of these transformations. Experimental results on MNIST, FashionMNIST, CIFAR10, and CIFAR100 datasets using multi-layer perceptrons and convolutional neural networks demonstrate that CCL achieves comparable performance to other biologically plausible algorithms while offering a more biologically realistic learning mechanism. Furthermore, we showcase the applicability of our approach to an autoencoder task, underscoring its potential for unsupervised representation learning. Our work presents a direction for biologically inspired and plausible learning algorithms, offering an alternative mechanism of learning and adaptation in neural networks.
Scaling Up Your Kernels: Large Kernel Design in ConvNets towards Universal Representations
This paper proposes the paradigm of large convolutional kernels in designing modern Convolutional Neural Networks (ConvNets). We establish that employing a few large kernels, instead of stacking multiple smaller ones, can be a superior design strategy. Our work introduces a set of architecture design guidelines for large-kernel ConvNets that optimize their efficiency and performance. We propose the UniRepLKNet architecture, which offers systematical architecture design principles specifically crafted for large-kernel ConvNets, emphasizing their unique ability to capture extensive spatial information without deep layer stacking. This results in a model that not only surpasses its predecessors with an ImageNet accuracy of 88.0%, an ADE20K mIoU of 55.6%, and a COCO box AP of 56.4% but also demonstrates impressive scalability and performance on various modalities such as time-series forecasting, audio, point cloud, and video recognition. These results indicate the universal modeling abilities of large-kernel ConvNets with faster inference speed compared with vision transformers. Our findings reveal that large-kernel ConvNets possess larger effective receptive fields and a higher shape bias, moving away from the texture bias typical of smaller-kernel CNNs. All codes and models are publicly available at https://github.com/AILab-CVC/UniRepLKNet promoting further research and development in the community.
A critical analysis of self-supervision, or what we can learn from a single image
We look critically at popular self-supervision techniques for learning deep convolutional neural networks without manual labels. We show that three different and representative methods, BiGAN, RotNet and DeepCluster, can learn the first few layers of a convolutional network from a single image as well as using millions of images and manual labels, provided that strong data augmentation is used. However, for deeper layers the gap with manual supervision cannot be closed even if millions of unlabelled images are used for training. We conclude that: (1) the weights of the early layers of deep networks contain limited information about the statistics of natural images, that (2) such low-level statistics can be learned through self-supervision just as well as through strong supervision, and that (3) the low-level statistics can be captured via synthetic transformations instead of using a large image dataset.
Differentiable Learning of Generalized Structured Matrices for Efficient Deep Neural Networks
This paper investigates efficient deep neural networks (DNNs) to replace dense unstructured weight matrices with structured ones that possess desired properties. The challenge arises because the optimal weight matrix structure in popular neural network models is obscure in most cases and may vary from layer to layer even in the same network. Prior structured matrices proposed for efficient DNNs were mostly hand-crafted without a generalized framework to systematically learn them. To address this issue, we propose a generalized and differentiable framework to learn efficient structures of weight matrices by gradient descent. We first define a new class of structured matrices that covers a wide range of structured matrices in the literature by adjusting the structural parameters. Then, the frequency-domain differentiable parameterization scheme based on the Gaussian-Dirichlet kernel is adopted to learn the structural parameters by proximal gradient descent. On the image and language tasks, our method learns efficient DNNs with structured matrices, achieving lower complexity and/or higher performance than prior approaches that employ low-rank, block-sparse, or block-low-rank matrices.
Learning Symmetrization for Equivariance with Orbit Distance Minimization
We present a general framework for symmetrizing an arbitrary neural-network architecture and making it equivariant with respect to a given group. We build upon the proposals of Kim et al. (2023); Kaba et al. (2023) for symmetrization, and improve them by replacing their conversion of neural features into group representations, with an optimization whose loss intuitively measures the distance between group orbits. This change makes our approach applicable to a broader range of matrix groups, such as the Lorentz group O(1, 3), than these two proposals. We experimentally show our method's competitiveness on the SO(2) image classification task, and also its increased generality on the task with O(1, 3). Our implementation will be made accessible at https://github.com/tiendatnguyen-vision/Orbit-symmetrize.
Learning Features with Parameter-Free Layers
Trainable layers such as convolutional building blocks are the standard network design choices by learning parameters to capture the global context through successive spatial operations. When designing an efficient network, trainable layers such as the depthwise convolution is the source of efficiency in the number of parameters and FLOPs, but there was little improvement to the model speed in practice. This paper argues that simple built-in parameter-free operations can be a favorable alternative to the efficient trainable layers replacing spatial operations in a network architecture. We aim to break the stereotype of organizing the spatial operations of building blocks into trainable layers. Extensive experimental analyses based on layer-level studies with fully-trained models and neural architecture searches are provided to investigate whether parameter-free operations such as the max-pool are functional. The studies eventually give us a simple yet effective idea for redesigning network architectures, where the parameter-free operations are heavily used as the main building block without sacrificing the model accuracy as much. Experimental results on the ImageNet dataset demonstrate that the network architectures with parameter-free operations could enjoy the advantages of further efficiency in terms of model speed, the number of the parameters, and FLOPs. Code and ImageNet pretrained models are available at https://github.com/naver-ai/PfLayer.
Improved Techniques for Training GANs
We present a variety of new architectural features and training procedures that we apply to the generative adversarial networks (GANs) framework. We focus on two applications of GANs: semi-supervised learning, and the generation of images that humans find visually realistic. Unlike most work on generative models, our primary goal is not to train a model that assigns high likelihood to test data, nor do we require the model to be able to learn well without using any labels. Using our new techniques, we achieve state-of-the-art results in semi-supervised classification on MNIST, CIFAR-10 and SVHN. The generated images are of high quality as confirmed by a visual Turing test: our model generates MNIST samples that humans cannot distinguish from real data, and CIFAR-10 samples that yield a human error rate of 21.3%. We also present ImageNet samples with unprecedented resolution and show that our methods enable the model to learn recognizable features of ImageNet classes.
PHNNs: Lightweight Neural Networks via Parameterized Hypercomplex Convolutions
Hypercomplex neural networks have proven to reduce the overall number of parameters while ensuring valuable performance by leveraging the properties of Clifford algebras. Recently, hypercomplex linear layers have been further improved by involving efficient parameterized Kronecker products. In this paper, we define the parameterization of hypercomplex convolutional layers and introduce the family of parameterized hypercomplex neural networks (PHNNs) that are lightweight and efficient large-scale models. Our method grasps the convolution rules and the filter organization directly from data without requiring a rigidly predefined domain structure to follow. PHNNs are flexible to operate in any user-defined or tuned domain, from 1D to nD regardless of whether the algebra rules are preset. Such a malleability allows processing multidimensional inputs in their natural domain without annexing further dimensions, as done, instead, in quaternion neural networks for 3D inputs like color images. As a result, the proposed family of PHNNs operates with 1/n free parameters as regards its analog in the real domain. We demonstrate the versatility of this approach to multiple domains of application by performing experiments on various image datasets as well as audio datasets in which our method outperforms real and quaternion-valued counterparts. Full code is available at: https://github.com/eleGAN23/HyperNets.
Hebbian Learning based Orthogonal Projection for Continual Learning of Spiking Neural Networks
Neuromorphic computing with spiking neural networks is promising for energy-efficient artificial intelligence (AI) applications. However, different from humans who continually learn different tasks in a lifetime, neural network models suffer from catastrophic forgetting. How could neuronal operations solve this problem is an important question for AI and neuroscience. Many previous studies draw inspiration from observed neuroscience phenomena and propose episodic replay or synaptic metaplasticity, but they are not guaranteed to explicitly preserve knowledge for neuron populations. Other works focus on machine learning methods with more mathematical grounding, e.g., orthogonal projection on high dimensional spaces, but there is no neural correspondence for neuromorphic computing. In this work, we develop a new method with neuronal operations based on lateral connections and Hebbian learning, which can protect knowledge by projecting activity traces of neurons into an orthogonal subspace so that synaptic weight update will not interfere with old tasks. We show that Hebbian and anti-Hebbian learning on recurrent lateral connections can effectively extract the principal subspace of neural activities and enable orthogonal projection. This provides new insights into how neural circuits and Hebbian learning can help continual learning, and also how the concept of orthogonal projection can be realized in neuronal systems. Our method is also flexible to utilize arbitrary training methods based on presynaptic activities/traces. Experiments show that our method consistently solves forgetting for spiking neural networks with nearly zero forgetting under various supervised training methods with different error propagation approaches, and outperforms previous approaches under various settings. Our method can pave a solid path for building continual neuromorphic computing systems.
What Do Single-view 3D Reconstruction Networks Learn?
Convolutional networks for single-view object reconstruction have shown impressive performance and have become a popular subject of research. All existing techniques are united by the idea of having an encoder-decoder network that performs non-trivial reasoning about the 3D structure of the output space. In this work, we set up two alternative approaches that perform image classification and retrieval respectively. These simple baselines yield better results than state-of-the-art methods, both qualitatively and quantitatively. We show that encoder-decoder methods are statistically indistinguishable from these baselines, thus indicating that the current state of the art in single-view object reconstruction does not actually perform reconstruction but image classification. We identify aspects of popular experimental procedures that elicit this behavior and discuss ways to improve the current state of research.
Neural Network Pruning as Spectrum Preserving Process
Neural networks have achieved remarkable performance in various application domains. Nevertheless, a large number of weights in pre-trained deep neural networks prohibit them from being deployed on smartphones and embedded systems. It is highly desirable to obtain lightweight versions of neural networks for inference in edge devices. Many cost-effective approaches were proposed to prune dense and convolutional layers that are common in deep neural networks and dominant in the parameter space. However, a unified theoretical foundation for the problem mostly is missing. In this paper, we identify the close connection between matrix spectrum learning and neural network training for dense and convolutional layers and argue that weight pruning is essentially a matrix sparsification process to preserve the spectrum. Based on the analysis, we also propose a matrix sparsification algorithm tailored for neural network pruning that yields better pruning result. We carefully design and conduct experiments to support our arguments. Hence we provide a consolidated viewpoint for neural network pruning and enhance the interpretability of deep neural networks by identifying and preserving the critical neural weights.
A Survey on Dynamic Neural Networks: from Computer Vision to Multi-modal Sensor Fusion
Model compression is essential in the deployment of large Computer Vision models on embedded devices. However, static optimization techniques (e.g. pruning, quantization, etc.) neglect the fact that different inputs have different complexities, thus requiring different amount of computations. Dynamic Neural Networks allow to condition the number of computations to the specific input. The current literature on the topic is very extensive and fragmented. We present a comprehensive survey that synthesizes and unifies existing Dynamic Neural Networks research in the context of Computer Vision. Additionally, we provide a logical taxonomy based on which component of the network is adaptive: the output, the computation graph or the input. Furthermore, we argue that Dynamic Neural Networks are particularly beneficial in the context of Sensor Fusion for better adaptivity, noise reduction and information prioritization. We present preliminary works in this direction. We complement this survey with a curated repository listing all the surveyed papers, each with a brief summary of the solution and the code base when available: https://github.com/DTU-PAS/awesome-dynn-for-cv .
Koopman-based generalization bound: New aspect for full-rank weights
We propose a new bound for generalization of neural networks using Koopman operators. Whereas most of existing works focus on low-rank weight matrices, we focus on full-rank weight matrices. Our bound is tighter than existing norm-based bounds when the condition numbers of weight matrices are small. Especially, it is completely independent of the width of the network if the weight matrices are orthogonal. Our bound does not contradict to the existing bounds but is a complement to the existing bounds. As supported by several existing empirical results, low-rankness is not the only reason for generalization. Furthermore, our bound can be combined with the existing bounds to obtain a tighter bound. Our result sheds new light on understanding generalization of neural networks with full-rank weight matrices, and it provides a connection between operator-theoretic analysis and generalization of neural networks.
Enhanced Convolutional Neural Networks for Improved Image Classification
Image classification is a fundamental task in computer vision with diverse applications, ranging from autonomous systems to medical imaging. The CIFAR-10 dataset is a widely used benchmark to evaluate the performance of classification models on small-scale, multi-class datasets. Convolutional Neural Networks (CNNs) have demonstrated state-of-the-art results; however, they often suffer from overfitting and suboptimal feature representation when applied to challenging datasets like CIFAR-10. In this paper, we propose an enhanced CNN architecture that integrates deeper convolutional blocks, batch normalization, and dropout regularization to achieve superior performance. The proposed model achieves a test accuracy of 84.95%, outperforming baseline CNN architectures. Through detailed ablation studies, we demonstrate the effectiveness of the enhancements and analyze the hierarchical feature representations. This work highlights the potential of refined CNN architectures for tackling small-scale image classification problems effectively.
RC-DARTS: Resource Constrained Differentiable Architecture Search
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.
Linearly-Recurrent Autoencoder Networks for Learning Dynamics
This paper describes a method for learning low-dimensional approximations of nonlinear dynamical systems, based on neural-network approximations of the underlying Koopman operator. Extended Dynamic Mode Decomposition (EDMD) provides a useful data-driven approximation of the Koopman operator for analyzing dynamical systems. This paper addresses a fundamental problem associated with EDMD: a trade-off between representational capacity of the dictionary and over-fitting due to insufficient data. A new neural network architecture combining an autoencoder with linear recurrent dynamics in the encoded state is used to learn a low-dimensional and highly informative Koopman-invariant subspace of observables. A method is also presented for balanced model reduction of over-specified EDMD systems in feature space. Nonlinear reconstruction using partially linear multi-kernel regression aims to improve reconstruction accuracy from the low-dimensional state when the data has complex but intrinsically low-dimensional structure. The techniques demonstrate the ability to identify Koopman eigenfunctions of the unforced Duffing equation, create accurate low-dimensional models of an unstable cylinder wake flow, and make short-time predictions of the chaotic Kuramoto-Sivashinsky equation.
Inception-v4, Inception-ResNet and the Impact of Residual Connections on Learning
Very deep convolutional networks have been central to the largest advances in image recognition performance in recent years. One example is the Inception architecture that has been shown to achieve very good performance at relatively low computational cost. Recently, the introduction of residual connections in conjunction with a more traditional architecture has yielded state-of-the-art performance in the 2015 ILSVRC challenge; its performance was similar to the latest generation Inception-v3 network. This raises the question of whether there are any benefit in combining the Inception architecture with residual connections. Here we give clear empirical evidence that training with residual connections accelerates the training of Inception networks significantly. There is also some evidence of residual Inception networks outperforming similarly expensive Inception networks without residual connections by a thin margin. We also present several new streamlined architectures for both residual and non-residual Inception networks. These variations improve the single-frame recognition performance on the ILSVRC 2012 classification task significantly. We further demonstrate how proper activation scaling stabilizes the training of very wide residual Inception networks. With an ensemble of three residual and one Inception-v4, we achieve 3.08 percent top-5 error on the test set of the ImageNet classification (CLS) challenge
RepMLP: Re-parameterizing Convolutions into Fully-connected Layers for Image Recognition
We propose RepMLP, a multi-layer-perceptron-style neural network building block for image recognition, which is composed of a series of fully-connected (FC) layers. Compared to convolutional layers, FC layers are more efficient, better at modeling the long-range dependencies and positional patterns, but worse at capturing the local structures, hence usually less favored for image recognition. We propose a structural re-parameterization technique that adds local prior into an FC to make it powerful for image recognition. Specifically, we construct convolutional layers inside a RepMLP during training and merge them into the FC for inference. On CIFAR, a simple pure-MLP model shows performance very close to CNN. By inserting RepMLP in traditional CNN, we improve ResNets by 1.8% accuracy on ImageNet, 2.9% for face recognition, and 2.3% mIoU on Cityscapes with lower FLOPs. Our intriguing findings highlight that combining the global representational capacity and positional perception of FC with the local prior of convolution can improve the performance of neural network with faster speed on both the tasks with translation invariance (e.g., semantic segmentation) and those with aligned images and positional patterns (e.g., face recognition). The code and models are available at https://github.com/DingXiaoH/RepMLP.
SparseFormer: Sparse Visual Recognition via Limited Latent Tokens
Human visual recognition is a sparse process, where only a few salient visual cues are attended to rather than traversing every detail uniformly. However, most current vision networks follow a dense paradigm, processing every single visual unit (e.g,, pixel or patch) in a uniform manner. In this paper, we challenge this dense paradigm and present a new method, coined SparseFormer, to imitate human's sparse visual recognition in an end-to-end manner. SparseFormer learns to represent images using a highly limited number of tokens (down to 49) in the latent space with sparse feature sampling procedure instead of processing dense units in the original pixel space. Therefore, SparseFormer circumvents most of dense operations on the image space and has much lower computational costs. Experiments on the ImageNet classification benchmark dataset show that SparseFormer achieves performance on par with canonical or well-established models while offering better accuracy-throughput tradeoff. Moreover, the design of our network can be easily extended to the video classification with promising performance at lower computational costs. We hope that our work can provide an alternative way for visual modeling and inspire further research on sparse neural architectures. The code will be publicly available at https://github.com/showlab/sparseformer
SortedNet, a Place for Every Network and Every Network in its Place: Towards a Generalized Solution for Training Many-in-One Neural Networks
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.
i-RevNet: Deep Invertible Networks
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.
Deep Residual Learning for Image Recognition
Deeper neural networks are more difficult to train. We present a residual learning framework to ease the training of networks that are substantially deeper than those used previously. We explicitly reformulate the layers as learning residual functions with reference to the layer inputs, instead of learning unreferenced functions. We provide comprehensive empirical evidence showing that these residual networks are easier to optimize, and can gain accuracy from considerably increased depth. On the ImageNet dataset we evaluate residual nets with a depth of up to 152 layers---8x deeper than VGG nets but still having lower complexity. An ensemble of these residual nets achieves 3.57% error on the ImageNet test set. This result won the 1st place on the ILSVRC 2015 classification task. We also present analysis on CIFAR-10 with 100 and 1000 layers. The depth of representations is of central importance for many visual recognition tasks. Solely due to our extremely deep representations, we obtain a 28% relative improvement on the COCO object detection dataset. Deep residual nets are foundations of our submissions to ILSVRC & COCO 2015 competitions, where we also won the 1st places on the tasks of ImageNet detection, ImageNet localization, COCO detection, and COCO segmentation.
CMoE: Fast Carving of Mixture-of-Experts for Efficient LLM Inference
Large language models (LLMs) achieve impressive performance by scaling model parameters, but this comes with significant inference overhead. Feed-forward networks (FFNs), which dominate LLM parameters, exhibit high activation sparsity in hidden neurons. To exploit this, researchers have proposed using a mixture-of-experts (MoE) architecture, where only a subset of parameters is activated. However, existing approaches often require extensive training data and resources, limiting their practicality. We propose CMoE (Carved MoE), a novel framework to efficiently carve MoE models from dense models. CMoE achieves remarkable performance through efficient expert grouping and lightweight adaptation. First, neurons are grouped into shared and routed experts based on activation rates. Next, we construct a routing mechanism without training from scratch, incorporating a differentiable routing process and load balancing. Using modest data, CMoE produces a well-designed, usable MoE from a 7B dense model within five minutes. With lightweight fine-tuning, it achieves high-performance recovery in under an hour. We make our code publicly available at https://github.com/JarvisPei/CMoE.
Principled Approaches for Extending Neural Architectures to Function Spaces for Operator Learning
A wide range of scientific problems, such as those described by continuous-time dynamical systems and partial differential equations (PDEs), are naturally formulated on function spaces. While function spaces are typically infinite-dimensional, deep learning has predominantly advanced through applications in computer vision and natural language processing that focus on mappings between finite-dimensional spaces. Such fundamental disparities in the nature of the data have limited neural networks from achieving a comparable level of success in scientific applications as seen in other fields. Neural operators are a principled way to generalize neural networks to mappings between function spaces, offering a pathway to replicate deep learning's transformative impact on scientific problems. For instance, neural operators can learn solution operators for entire classes of PDEs, e.g., physical systems with different boundary conditions, coefficient functions, and geometries. A key factor in deep learning's success has been the careful engineering of neural architectures through extensive empirical testing. Translating these neural architectures into neural operators allows operator learning to enjoy these same empirical optimizations. However, prior neural operator architectures have often been introduced as standalone models, not directly derived as extensions of existing neural network architectures. In this paper, we identify and distill the key principles for constructing practical implementations of mappings between infinite-dimensional function spaces. Using these principles, we propose a recipe for converting several popular neural architectures into neural operators with minimal modifications. This paper aims to guide practitioners through this process and details the steps to make neural operators work in practice. Our code can be found at https://github.com/neuraloperator/NNs-to-NOs
On filter design in deep convolutional neural network
The deep convolutional neural network (DCNN) in computer vision has given promising results. It is widely applied in many areas, from medicine, agriculture, self-driving car, biometric system, and almost all computer vision-based applications. Filters or weights are the critical elements responsible for learning in DCNN. Backpropagation has been the primary learning algorithm for DCNN and provides promising results, but the size and numbers of the filters remain hyper-parameters. Various studies have been done in the last decade on semi-supervised, self-supervised, and unsupervised methods and their properties. The effects of filter initialization, size-shape selection, and the number of filters on learning and optimization have not been investigated in a separate publication to collate all the options. Such attributes are often treated as hyper-parameters and lack mathematical understanding. Computer vision algorithms have many limitations in real-life applications, and understanding the learning process is essential to have some significant improvement. To the best of our knowledge, no separate investigation has been published discussing the filters; this is our primary motivation. This study focuses on arguments for choosing specific physical parameters of filters, initialization, and learning technic over scattered methods. The promising unsupervised approaches have been evaluated. Additionally, the limitations, current challenges, and future scope have been discussed in this paper.
ReZero is All You Need: Fast Convergence at Large Depth
Deep networks often suffer from vanishing or exploding gradients due to inefficient signal propagation, leading to long training times or convergence difficulties. Various architecture designs, sophisticated residual-style networks, and initialization schemes have been shown to improve deep signal propagation. Recently, Pennington et al. used free probability theory to show that dynamical isometry plays an integral role in efficient deep learning. We show that the simplest architecture change of gating each residual connection using a single zero-initialized parameter satisfies initial dynamical isometry and outperforms more complex approaches. Although much simpler than its predecessors, this gate enables training thousands of fully connected layers with fast convergence and better test performance for ResNets trained on CIFAR-10. We apply this technique to language modeling and find that we can easily train 120-layer Transformers. When applied to 12 layer Transformers, it converges 56% faster on enwiki8.
m2mKD: Module-to-Module Knowledge Distillation for Modular Transformers
Modular neural architectures are gaining increasing attention due to their powerful capability for generalization and sample-efficient adaptation to new domains. However, training modular models, particularly in the early stages, poses challenges due to the optimization difficulties arising from their intrinsic sparse connectivity. Leveraging the knowledge from monolithic models, using techniques such as knowledge distillation, is likely to facilitate the training of modular models and enable them to integrate knowledge from multiple models pretrained on diverse sources. Nevertheless, conventional knowledge distillation approaches are not tailored to modular models and can fail when directly applied due to the unique architectures and the enormous number of parameters involved. Motivated by these challenges, we propose a general module-to-module knowledge distillation (m2mKD) method for transferring knowledge between modules. Our approach involves teacher modules split from a pretrained monolithic model, and student modules of a modular model. m2mKD separately combines these modules with a shared meta model and encourages the student module to mimic the behaviour of the teacher module. We evaluate the effectiveness of m2mKD on two distinct modular neural architectures: Neural Attentive Circuits (NACs) and Vision Mixture-of-Experts (V-MoE). By applying m2mKD to NACs, we achieve significant improvements in IID accuracy on Tiny-ImageNet (up to 5.6%) and OOD robustness on Tiny-ImageNet-R (up to 4.2%). On average, we observe a 1% gain in both ImageNet and ImageNet-R. The V-MoE-Base model trained using m2mKD also achieves 3.5% higher accuracy than end-to-end training on ImageNet. The experimental results demonstrate that our method offers a promising solution for connecting modular networks with pretrained monolithic models. Code is available at https://github.com/kamanphoebe/m2mKD.
Learning From Simplicial Data Based on Random Walks and 1D Convolutions
Triggered by limitations of graph-based deep learning methods in terms of computational expressivity and model flexibility, recent years have seen a surge of interest in computational models that operate on higher-order topological domains such as hypergraphs and simplicial complexes. While the increased expressivity of these models can indeed lead to a better classification performance and a more faithful representation of the underlying system, the computational cost of these higher-order models can increase dramatically. To this end, we here explore a simplicial complex neural network learning architecture based on random walks and fast 1D convolutions (SCRaWl), in which we can adjust the increase in computational cost by varying the length and number of random walks considered while accounting for higher-order relationships. Importantly, due to the random walk-based design, the expressivity of the proposed architecture is provably incomparable to that of existing message-passing simplicial neural networks. We empirically evaluate SCRaWl on real-world datasets and show that it outperforms other simplicial neural networks.
Graph Convolutional Neural Networks as Parametric CoKleisli morphisms
We define the bicategory of Graph Convolutional Neural Networks GCNN_n for an arbitrary graph with n nodes. We show it can be factored through the already existing categorical constructions for deep learning called Para and Lens with the base category set to the CoKleisli category of the product comonad. We prove that there exists an injective-on-objects, faithful 2-functor GCNN_n to Para(CoKl(R^{n times n} times -)). We show that this construction allows us to treat the adjacency matrix of a GCNN as a global parameter instead of a a local, layer-wise one. This gives us a high-level categorical characterisation of a particular kind of inductive bias GCNNs possess. Lastly, we hypothesize about possible generalisations of GCNNs to general message-passing graph neural networks, connections to equivariant learning, and the (lack of) functoriality of activation functions.
Patch-level Routing in Mixture-of-Experts is Provably Sample-efficient for Convolutional Neural Networks
In deep learning, mixture-of-experts (MoE) activates one or few experts (sub-networks) on a per-sample or per-token basis, resulting in significant computation reduction. The recently proposed patch-level routing in MoE (pMoE) divides each input into n patches (or tokens) and sends l patches (lll n) to each expert through prioritized routing. pMoE has demonstrated great empirical success in reducing training and inference costs while maintaining test accuracy. However, the theoretical explanation of pMoE and the general MoE remains elusive. Focusing on a supervised classification task using a mixture of two-layer convolutional neural networks (CNNs), we show for the first time that pMoE provably reduces the required number of training samples to achieve desirable generalization (referred to as the sample complexity) by a factor in the polynomial order of n/l, and outperforms its single-expert counterpart of the same or even larger capacity. The advantage results from the discriminative routing property, which is justified in both theory and practice that pMoE routers can filter label-irrelevant patches and route similar class-discriminative patches to the same expert. Our experimental results on MNIST, CIFAR-10, and CelebA support our theoretical findings on pMoE's generalization and show that pMoE can avoid learning spurious correlations.
Generalization Bounds for Magnitude-Based Pruning via Sparse Matrix Sketching
In this paper, we derive a novel bound on the generalization error of Magnitude-Based pruning of overparameterized neural networks. Our work builds on the bounds in Arora et al. [2018] where the error depends on one, the approximation induced by pruning, and two, the number of parameters in the pruned model, and improves upon standard norm-based generalization bounds. The pruned estimates obtained using our new Magnitude-Based compression algorithm are close to the unpruned functions with high probability, which improves the first criteria. Using Sparse Matrix Sketching, the space of the pruned matrices can be efficiently represented in the space of dense matrices of much smaller dimensions, thereby lowering the second criterion. This leads to stronger generalization bound than many state-of-the-art methods, thereby breaking new ground in the algorithm development for pruning and bounding generalization error of overparameterized models. Beyond this, we extend our results to obtain generalization bound for Iterative Pruning [Frankle and Carbin, 2018]. We empirically verify the success of this new method on ReLU-activated Feed Forward Networks on the MNIST and CIFAR10 datasets.
Group Orthogonalization Regularization For Vision Models Adaptation and Robustness
As neural networks become deeper, the redundancy within their parameters increases. This phenomenon has led to several methods that attempt to reduce the correlation between convolutional filters. We propose a computationally efficient regularization technique that encourages orthonormality between groups of filters within the same layer. Our experiments show that when incorporated into recent adaptation methods for diffusion models and vision transformers (ViTs), this regularization improves performance on downstream tasks. We further show improved robustness when group orthogonality is enforced during adversarial training. Our code is available at https://github.com/YoavKurtz/GOR.
MoE-LLaVA: Mixture of Experts for Large Vision-Language Models
For Large Vision-Language Models (LVLMs), scaling the model can effectively improve performance. However, expanding model parameters significantly increases the training and inferring costs, as all model parameters are activated for each token in the calculation. In this work, we propose a novel training strategy MoE-tuning for LVLMs, which can constructing a sparse model with an outrageous number of parameter but a constant computational cost, and effectively addresses the performance degradation typically associated with multi-modal learning and model sparsity. Furthermore, we present the MoE-LLaVA framework, a MoE-based sparse LVLM architecture. This framework uniquely activates only the top-k experts through routers during deployment, keeping the remaining experts inactive. Our extensive experiments highlight the excellent capabilities of MoE-LLaVA in visual understanding and its potential to reduce hallucinations in model outputs. Remarkably, with just 3 billion sparsely activated parameters, MoE-LLaVA demonstrates performance comparable to the LLaVA-1.5-7B on various visual understanding datasets and even surpasses the LLaVA-1.5-13B in object hallucination benchmarks. Through MoE-LLaVA, we aim to establish a baseline for sparse LVLMs and provide valuable insights for future research in developing more efficient and effective multi-modal learning systems. Code is released at https://github.com/PKU-YuanGroup/MoE-LLaVA.
Robust Learning with Progressive Data Expansion Against Spurious Correlation
While deep learning models have shown remarkable performance in various tasks, they are susceptible to learning non-generalizable spurious features rather than the core features that are genuinely correlated to the true label. In this paper, beyond existing analyses of linear models, we theoretically examine the learning process of a two-layer nonlinear convolutional neural network in the presence of spurious features. Our analysis suggests that imbalanced data groups and easily learnable spurious features can lead to the dominance of spurious features during the learning process. In light of this, we propose a new training algorithm called PDE that efficiently enhances the model's robustness for a better worst-group performance. PDE begins with a group-balanced subset of training data and progressively expands it to facilitate the learning of the core features. Experiments on synthetic and real-world benchmark datasets confirm the superior performance of our method on models such as ResNets and Transformers. On average, our method achieves a 2.8% improvement in worst-group accuracy compared with the state-of-the-art method, while enjoying up to 10x faster training efficiency.
PAON: A New Neuron Model using Pad茅 Approximants
Convolutional neural networks (CNN) are built upon the classical McCulloch-Pitts neuron model, which is essentially a linear model, where the nonlinearity is provided by a separate activation function. Several researchers have proposed enhanced neuron models, including quadratic neurons, generalized operational neurons, generative neurons, and super neurons, with stronger nonlinearity than that provided by the pointwise activation function. There has also been a proposal to use Pade approximation as a generalized activation function. In this paper, we introduce a brand new neuron model called Pade neurons (Paons), inspired by the Pade approximants, which is the best mathematical approximation of a transcendental function as a ratio of polynomials with different orders. We show that Paons are a super set of all other proposed neuron models. Hence, the basic neuron in any known CNN model can be replaced by Paons. In this paper, we extend the well-known ResNet to PadeNet (built by Paons) to demonstrate the concept. Our experiments on the single-image super-resolution task show that PadeNets can obtain better results than competing architectures.
Unsupervised Representation Learning with Deep Convolutional Generative Adversarial Networks
In recent years, supervised learning with convolutional networks (CNNs) has seen huge adoption in computer vision applications. Comparatively, unsupervised learning with CNNs has received less attention. In this work we hope to help bridge the gap between the success of CNNs for supervised learning and unsupervised learning. We introduce a class of CNNs called deep convolutional generative adversarial networks (DCGANs), that have certain architectural constraints, and demonstrate that they are a strong candidate for unsupervised learning. Training on various image datasets, we show convincing evidence that our deep convolutional adversarial pair learns a hierarchy of representations from object parts to scenes in both the generator and discriminator. Additionally, we use the learned features for novel tasks - demonstrating their applicability as general image representations.
Feature emergence via margin maximization: case studies in algebraic tasks
Understanding the internal representations learned by neural networks is a cornerstone challenge in the science of machine learning. While there have been significant recent strides in some cases towards understanding how neural networks implement specific target functions, this paper explores a complementary question -- why do networks arrive at particular computational strategies? Our inquiry focuses on the algebraic learning tasks of modular addition, sparse parities, and finite group operations. Our primary theoretical findings analytically characterize the features learned by stylized neural networks for these algebraic tasks. Notably, our main technique demonstrates how the principle of margin maximization alone can be used to fully specify the features learned by the network. Specifically, we prove that the trained networks utilize Fourier features to perform modular addition and employ features corresponding to irreducible group-theoretic representations to perform compositions in general groups, aligning closely with the empirical observations of Nanda et al. and Chughtai et al. More generally, we hope our techniques can help to foster a deeper understanding of why neural networks adopt specific computational strategies.
SENetV2: Aggregated dense layer for channelwise and global representations
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.
Linear CNNs Discover the Statistical Structure of the Dataset Using Only the Most Dominant Frequencies
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.
Learning Rates as a Function of Batch Size: A Random Matrix Theory Approach to Neural Network Training
We study the effect of mini-batching on the loss landscape of deep neural networks using spiked, field-dependent random matrix theory. We demonstrate that the magnitude of the extremal values of the batch Hessian are larger than those of the empirical Hessian. We also derive similar results for the Generalised Gauss-Newton matrix approximation of the Hessian. As a consequence of our theorems we derive an analytical expressions for the maximal learning rates as a function of batch size, informing practical training regimens for both stochastic gradient descent (linear scaling) and adaptive algorithms, such as Adam (square root scaling), for smooth, non-convex deep neural networks. Whilst the linear scaling for stochastic gradient descent has been derived under more restrictive conditions, which we generalise, the square root scaling rule for adaptive optimisers is, to our knowledge, completely novel. %For stochastic second-order methods and adaptive methods, we derive that the minimal damping coefficient is proportional to the ratio of the learning rate to batch size. We validate our claims on the VGG/WideResNet architectures on the CIFAR-100 and ImageNet datasets. Based on our investigations of the sub-sampled Hessian we develop a stochastic Lanczos quadrature based on the fly learning rate and momentum learner, which avoids the need for expensive multiple evaluations for these key hyper-parameters and shows good preliminary results on the Pre-Residual Architecure for CIFAR-100.
Do deep neural networks utilize the weight space efficiently?
Deep learning models like Transformers and Convolutional Neural Networks (CNNs) have revolutionized various domains, but their parameter-intensive nature hampers deployment in resource-constrained settings. In this paper, we introduce a novel concept utilizes column space and row space of weight matrices, which allows for a substantial reduction in model parameters without compromising performance. Leveraging this paradigm, we achieve parameter-efficient deep learning models.. Our approach applies to both Bottleneck and Attention layers, effectively halving the parameters while incurring only minor performance degradation. Extensive experiments conducted on the ImageNet dataset with ViT and ResNet50 demonstrate the effectiveness of our method, showcasing competitive performance when compared to traditional models. This approach not only addresses the pressing demand for parameter efficient deep learning solutions but also holds great promise for practical deployment in real-world scenarios.
DASS: Differentiable Architecture Search for Sparse neural networks
The deployment of Deep Neural Networks (DNNs) on edge devices is hindered by the substantial gap between performance requirements and available processing power. While recent research has made significant strides in developing pruning methods to build a sparse network for reducing the computing overhead of DNNs, there remains considerable accuracy loss, especially at high pruning ratios. We find that the architectures designed for dense networks by differentiable architecture search methods are ineffective when pruning mechanisms are applied to them. The main reason is that the current method does not support sparse architectures in their search space and uses a search objective that is made for dense networks and does not pay any attention to sparsity. In this paper, we propose a new method to search for sparsity-friendly neural architectures. We do this by adding two new sparse operations to the search space and modifying the search objective. We propose two novel parametric SparseConv and SparseLinear operations in order to expand the search space to include sparse operations. In particular, these operations make a flexible search space due to using sparse parametric versions of linear and convolution operations. The proposed search objective lets us train the architecture based on the sparsity of the search space operations. Quantitative analyses demonstrate that our search architectures outperform those used in the stateof-the-art sparse networks on the CIFAR-10 and ImageNet datasets. In terms of performance and hardware effectiveness, DASS increases the accuracy of the sparse version of MobileNet-v2 from 73.44% to 81.35% (+7.91% improvement) with 3.87x faster inference time.
PRANC: Pseudo RAndom Networks for Compacting deep models
We demonstrate that a deep model can be reparametrized as a linear combination of several randomly initialized and frozen deep models in the weight space. During training, we seek local minima that reside within the subspace spanned by these random models (i.e., `basis' networks). Our framework, PRANC, enables significant compaction of a deep model. The model can be reconstructed using a single scalar `seed,' employed to generate the pseudo-random `basis' networks, together with the learned linear mixture coefficients. In practical applications, PRANC addresses the challenge of efficiently storing and communicating deep models, a common bottleneck in several scenarios, including multi-agent learning, continual learners, federated systems, and edge devices, among others. In this study, we employ PRANC to condense image classification models and compress images by compacting their associated implicit neural networks. PRANC outperforms baselines with a large margin on image classification when compressing a deep model almost 100 times. Moreover, we show that PRANC enables memory-efficient inference by generating layer-wise weights on the fly. The source code of PRANC is here: https://github.com/UCDvision/PRANC
ViTO: Vision Transformer-Operator
We combine vision transformers with operator learning to solve diverse inverse problems described by partial differential equations (PDEs). Our approach, named ViTO, combines a U-Net based architecture with a vision transformer. We apply ViTO to solve inverse PDE problems of increasing complexity, namely for the wave equation, the Navier-Stokes equations and the Darcy equation. We focus on the more challenging case of super-resolution, where the input dataset for the inverse problem is at a significantly coarser resolution than the output. The results we obtain are comparable or exceed the leading operator network benchmarks in terms of accuracy. Furthermore, ViTO`s architecture has a small number of trainable parameters (less than 10% of the leading competitor), resulting in a performance speed-up of over 5x when averaged over the various test cases.
A priori compression of convolutional neural networks for wave simulators
Convolutional neural networks are now seeing widespread use in a variety of fields, including image classification, facial and object recognition, medical imaging analysis, and many more. In addition, there are applications such as physics-informed simulators in which accurate forecasts in real time with a minimal lag are required. The present neural network designs include millions of parameters, which makes it difficult to install such complex models on devices that have limited memory. Compression techniques might be able to resolve these issues by decreasing the size of CNN models that are created by reducing the number of parameters that contribute to the complexity of the models. We propose a compressed tensor format of convolutional layer, a priori, before the training of the neural network. 3-way kernels or 2-way kernels in convolutional layers are replaced by one-way fiters. The overfitting phenomena will be reduced also. The time needed to make predictions or time required for training using the original Convolutional Neural Networks model would be cut significantly if there were fewer parameters to deal with. In this paper we present a method of a priori compressing convolutional neural networks for finite element (FE) predictions of physical data. Afterwards we validate our a priori compressed models on physical data from a FE model solving a 2D wave equation. We show that the proposed convolutinal compression technique achieves equivalent performance as classical convolutional layers with fewer trainable parameters and lower memory footprint.
Single-Layer Learnable Activation for Implicit Neural Representation (SL^{2}A-INR)
Implicit Neural Representation (INR), leveraging a neural network to transform coordinate input into corresponding attributes, has recently driven significant advances in several vision-related domains. However, the performance of INR is heavily influenced by the choice of the nonlinear activation function used in its multilayer perceptron (MLP) architecture. Multiple nonlinearities have been investigated; yet, current INRs face limitations in capturing high-frequency components, diverse signal types, and handling inverse problems. We have identified that these problems can be greatly alleviated by introducing a paradigm shift in INRs. We find that an architecture with learnable activations in initial layers can represent fine details in the underlying signals. Specifically, we propose SL^{2}A-INR, a hybrid network for INR with a single-layer learnable activation function, prompting the effectiveness of traditional ReLU-based MLPs. Our method performs superior across diverse tasks, including image representation, 3D shape reconstructions, inpainting, single image super-resolution, CT reconstruction, and novel view synthesis. Through comprehensive experiments, SL^{2}A-INR sets new benchmarks in accuracy, quality, and convergence rates for INR.
Attentive CutMix: An Enhanced Data Augmentation Approach for Deep Learning Based Image Classification
Convolutional neural networks (CNN) are capable of learning robust representation with different regularization methods and activations as convolutional layers are spatially correlated. Based on this property, a large variety of regional dropout strategies have been proposed, such as Cutout, DropBlock, CutMix, etc. These methods aim to promote the network to generalize better by partially occluding the discriminative parts of objects. However, all of them perform this operation randomly, without capturing the most important region(s) within an object. In this paper, we propose Attentive CutMix, a naturally enhanced augmentation strategy based on CutMix. In each training iteration, we choose the most descriptive regions based on the intermediate attention maps from a feature extractor, which enables searching for the most discriminative parts in an image. Our proposed method is simple yet effective, easy to implement and can boost the baseline significantly. Extensive experiments on CIFAR-10/100, ImageNet datasets with various CNN architectures (in a unified setting) demonstrate the effectiveness of our proposed method, which consistently outperforms the baseline CutMix and other methods by a significant margin.
Deep Residual Echo State Networks: exploring residual orthogonal connections in untrained Recurrent Neural Networks
Echo State Networks (ESNs) are a particular type of untrained Recurrent Neural Networks (RNNs) within the Reservoir Computing (RC) framework, popular for their fast and efficient learning. However, traditional ESNs often struggle with long-term information processing. In this paper, we introduce a novel class of deep untrained RNNs based on temporal residual connections, called Deep Residual Echo State Networks (DeepResESNs). We show that leveraging a hierarchy of untrained residual recurrent layers significantly boosts memory capacity and long-term temporal modeling. For the temporal residual connections, we consider different orthogonal configurations, including randomly generated and fixed-structure configurations, and we study their effect on network dynamics. A thorough mathematical analysis outlines necessary and sufficient conditions to ensure stable dynamics within DeepResESN. Our experiments on a variety of time series tasks showcase the advantages of the proposed approach over traditional shallow and deep RC.
Implicit Neural Representations with Periodic Activation Functions
Implicitly defined, continuous, differentiable signal representations parameterized by neural networks have emerged as a powerful paradigm, offering many possible benefits over conventional representations. However, current network architectures for such implicit neural representations are incapable of modeling signals with fine detail, and fail to represent a signal's spatial and temporal derivatives, despite the fact that these are essential to many physical signals defined implicitly as the solution to partial differential equations. We propose to leverage periodic activation functions for implicit neural representations and demonstrate that these networks, dubbed sinusoidal representation networks or Sirens, are ideally suited for representing complex natural signals and their derivatives. We analyze Siren activation statistics to propose a principled initialization scheme and demonstrate the representation of images, wavefields, video, sound, and their derivatives. Further, we show how Sirens can be leveraged to solve challenging boundary value problems, such as particular Eikonal equations (yielding signed distance functions), the Poisson equation, and the Helmholtz and wave equations. Lastly, we combine Sirens with hypernetworks to learn priors over the space of Siren functions.
Sparsely Aggregated Convolutional Networks
We explore a key architectural aspect of deep convolutional neural networks: the pattern of internal skip connections used to aggregate outputs of earlier layers for consumption by deeper layers. Such aggregation is critical to facilitate training of very deep networks in an end-to-end manner. This is a primary reason for the widespread adoption of residual networks, which aggregate outputs via cumulative summation. While subsequent works investigate alternative aggregation operations (e.g. concatenation), we focus on an orthogonal question: which outputs to aggregate at a particular point in the network. We propose a new internal connection structure which aggregates only a sparse set of previous outputs at any given depth. Our experiments demonstrate this simple design change offers superior performance with fewer parameters and lower computational requirements. Moreover, we show that sparse aggregation allows networks to scale more robustly to 1000+ layers, thereby opening future avenues for training long-running visual processes.
Fast Sampling of Diffusion Models via Operator Learning
Diffusion models have found widespread adoption in various areas. However, their sampling process is slow because it requires hundreds to thousands of network evaluations to emulate a continuous process defined by differential equations. In this work, we use neural operators, an efficient method to solve the probability flow differential equations, to accelerate the sampling process of diffusion models. Compared to other fast sampling methods that have a sequential nature, we are the first to propose parallel decoding method that generates images with only one model forward pass. We propose diffusion model sampling with neural operator (DSNO) that maps the initial condition, i.e., Gaussian distribution, to the continuous-time solution trajectory of the reverse diffusion process. To model the temporal correlations along the trajectory, we introduce temporal convolution layers that are parameterized in the Fourier space into the given diffusion model backbone. We show our method achieves state-of-the-art FID of 4.12 for CIFAR-10 and 8.35 for ImageNet-64 in the one-model-evaluation setting.
White-Box Transformers via Sparse Rate Reduction: Compression Is All There Is?
In this paper, we contend that a natural objective of representation learning is to compress and transform the distribution of the data, say sets of tokens, towards a low-dimensional Gaussian mixture supported on incoherent subspaces. The goodness of such a representation can be evaluated by a principled measure, called sparse rate reduction, that simultaneously maximizes the intrinsic information gain and extrinsic sparsity of the learned representation. From this perspective, popular deep network architectures, including transformers, can be viewed as realizing iterative schemes to optimize this measure. Particularly, we derive a transformer block from alternating optimization on parts of this objective: the multi-head self-attention operator compresses the representation by implementing an approximate gradient descent step on the coding rate of the features, and the subsequent multi-layer perceptron sparsifies the features. This leads to a family of white-box transformer-like deep network architectures, named CRATE, which are mathematically fully interpretable. We show, by way of a novel connection between denoising and compression, that the inverse to the aforementioned compressive encoding can be realized by the same class of CRATE architectures. Thus, the so-derived white-box architectures are universal to both encoders and decoders. Experiments show that these networks, despite their simplicity, indeed learn to compress and sparsify representations of large-scale real-world image and text datasets, and achieve performance very close to highly engineered transformer-based models: ViT, MAE, DINO, BERT, and GPT2. We believe the proposed computational framework demonstrates great potential in bridging the gap between theory and practice of deep learning, from a unified perspective of data compression. Code is available at: https://ma-lab-berkeley.github.io/CRATE .
Outrageously Large Neural Networks: The Sparsely-Gated Mixture-of-Experts Layer
The capacity of a neural network to absorb information is limited by its number of parameters. Conditional computation, where parts of the network are active on a per-example basis, has been proposed in theory as a way of dramatically increasing model capacity without a proportional increase in computation. In practice, however, there are significant algorithmic and performance challenges. In this work, we address these challenges and finally realize the promise of conditional computation, achieving greater than 1000x improvements in model capacity with only minor losses in computational efficiency on modern GPU clusters. We introduce a Sparsely-Gated Mixture-of-Experts layer (MoE), consisting of up to thousands of feed-forward sub-networks. A trainable gating network determines a sparse combination of these experts to use for each example. We apply the MoE to the tasks of language modeling and machine translation, where model capacity is critical for absorbing the vast quantities of knowledge available in the training corpora. We present model architectures in which a MoE with up to 137 billion parameters is applied convolutionally between stacked LSTM layers. On large language modeling and machine translation benchmarks, these models achieve significantly better results than state-of-the-art at lower computational cost.
Generating Long Sequences with Sparse Transformers
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.
Simplifying Graph Convolutional Networks
Graph Convolutional Networks (GCNs) and their variants have experienced significant attention and have become the de facto methods for learning graph representations. GCNs derive inspiration primarily from recent deep learning approaches, and as a result, may inherit unnecessary complexity and redundant computation. In this paper, we reduce this excess complexity through successively removing nonlinearities and collapsing weight matrices between consecutive layers. We theoretically analyze the resulting linear model and show that it corresponds to a fixed low-pass filter followed by a linear classifier. Notably, our experimental evaluation demonstrates that these simplifications do not negatively impact accuracy in many downstream applications. Moreover, the resulting model scales to larger datasets, is naturally interpretable, and yields up to two orders of magnitude speedup over FastGCN.
FunkNN: Neural Interpolation for Functional Generation
Can we build continuous generative models which generalize across scales, can be evaluated at any coordinate, admit calculation of exact derivatives, and are conceptually simple? Existing MLP-based architectures generate worse samples than the grid-based generators with favorable convolutional inductive biases. Models that focus on generating images at different scales do better, but employ complex architectures not designed for continuous evaluation of images and derivatives. We take a signal-processing perspective and treat continuous image generation as interpolation from samples. Indeed, correctly sampled discrete images contain all information about the low spatial frequencies. The question is then how to extrapolate the spectrum in a data-driven way while meeting the above design criteria. Our answer is FunkNN -- a new convolutional network which learns how to reconstruct continuous images at arbitrary coordinates and can be applied to any image dataset. Combined with a discrete generative model it becomes a functional generator which can act as a prior in continuous ill-posed inverse problems. We show that FunkNN generates high-quality continuous images and exhibits strong out-of-distribution performance thanks to its patch-based design. We further showcase its performance in several stylized inverse problems with exact spatial derivatives.
Structure Learning for Neural Module Networks
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.
Robust Mixture-of-Expert Training for Convolutional Neural Networks
Sparsely-gated Mixture of Expert (MoE), an emerging deep model architecture, has demonstrated a great promise to enable high-accuracy and ultra-efficient model inference. Despite the growing popularity of MoE, little work investigated its potential to advance convolutional neural networks (CNNs), especially in the plane of adversarial robustness. Since the lack of robustness has become one of the main hurdles for CNNs, in this paper we ask: How to adversarially robustify a CNN-based MoE model? Can we robustly train it like an ordinary CNN model? Our pilot study shows that the conventional adversarial training (AT) mechanism (developed for vanilla CNNs) no longer remains effective to robustify an MoE-CNN. To better understand this phenomenon, we dissect the robustness of an MoE-CNN into two dimensions: Robustness of routers (i.e., gating functions to select data-specific experts) and robustness of experts (i.e., the router-guided pathways defined by the subnetworks of the backbone CNN). Our analyses show that routers and experts are hard to adapt to each other in the vanilla AT. Thus, we propose a new router-expert alternating Adversarial training framework for MoE, termed AdvMoE. The effectiveness of our proposal is justified across 4 commonly-used CNN model architectures over 4 benchmark datasets. We find that AdvMoE achieves 1% ~ 4% adversarial robustness improvement over the original dense CNN, and enjoys the efficiency merit of sparsity-gated MoE, leading to more than 50% inference cost reduction. Codes are available at https://github.com/OPTML-Group/Robust-MoE-CNN.
The Curious Robot: Learning Visual Representations via Physical Interactions
What is the right supervisory signal to train visual representations? Current approaches in computer vision use category labels from datasets such as ImageNet to train ConvNets. However, in case of biological agents, visual representation learning does not require millions of semantic labels. We argue that biological agents use physical interactions with the world to learn visual representations unlike current vision systems which just use passive observations (images and videos downloaded from web). For example, babies push objects, poke them, put them in their mouth and throw them to learn representations. Towards this goal, we build one of the first systems on a Baxter platform that pushes, pokes, grasps and observes objects in a tabletop environment. It uses four different types of physical interactions to collect more than 130K datapoints, with each datapoint providing supervision to a shared ConvNet architecture allowing us to learn visual representations. We show the quality of learned representations by observing neuron activations and performing nearest neighbor retrieval on this learned representation. Quantitatively, we evaluate our learned ConvNet on image classification tasks and show improvements compared to learning without external data. Finally, on the task of instance retrieval, our network outperforms the ImageNet network on recall@1 by 3%
