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Oct 27

Softplus Attention with Re-weighting Boosts Length Extrapolation in Large Language Models

Large language models have achieved remarkable success in recent years, primarily due to the implementation of self-attention mechanisms. However, traditional Softmax attention suffers from numerical instability and reduced performance as the length of inference tokens increases. This paper addresses these issues by decomposing the Softmax operation into a non-linear transformation and the l_1-norm. We identify the latter as essential for maintaining model performance. By replacing the non-linear transformation with the Softplus activation function and introducing a dynamic scale factor for different token lengths based on invariance entropy, we create a novel attention mechanism with performance better than conventional Softmax attention across various inference lengths. To further improve the length extrapolation ability of the proposed attention mechanism, we introduce a fine-tuning-free re-weighting mechanism that amplifies significant attention weights while diminishing weaker ones, enabling the model to concentrate more effectively on relevant tokens without requiring retraining. When combined with our proposed attention mechanism, this approach demonstrates significant promise in managing longer sequences, maintaining nearly constant validation loss even at 16times the training token length while ensuring numerical stability. Our code is available at: https://github.com/iminfine/freeatten.

  • 2 authors
·
Jan 23

Identifying Representations for Intervention Extrapolation

The premise of identifiable and causal representation learning is to improve the current representation learning paradigm in terms of generalizability or robustness. Despite recent progress in questions of identifiability, more theoretical results demonstrating concrete advantages of these methods for downstream tasks are needed. In this paper, we consider the task of intervention extrapolation: predicting how interventions affect an outcome, even when those interventions are not observed at training time, and show that identifiable representations can provide an effective solution to this task even if the interventions affect the outcome non-linearly. Our setup includes an outcome Y, observed features X, which are generated as a non-linear transformation of latent features Z, and exogenous action variables A, which influence Z. The objective of intervention extrapolation is to predict how interventions on A that lie outside the training support of A affect Y. Here, extrapolation becomes possible if the effect of A on Z is linear and the residual when regressing Z on A has full support. As Z is latent, we combine the task of intervention extrapolation with identifiable representation learning, which we call Rep4Ex: we aim to map the observed features X into a subspace that allows for non-linear extrapolation in A. We show that the hidden representation is identifiable up to an affine transformation in Z-space, which is sufficient for intervention extrapolation. The identifiability is characterized by a novel constraint describing the linearity assumption of A on Z. Based on this insight, we propose a method that enforces the linear invariance constraint and can be combined with any type of autoencoder. We validate our theoretical findings through synthetic experiments and show that our approach succeeds in predicting the effects of unseen interventions.

  • 5 authors
·
Oct 6, 2023

Unleashing the Power of Pre-trained Language Models for Offline Reinforcement Learning

Offline reinforcement learning (RL) aims to find a near-optimal policy using pre-collected datasets. In real-world scenarios, data collection could be costly and risky; therefore, offline RL becomes particularly challenging when the in-domain data is limited. Given recent advances in Large Language Models (LLMs) and their few-shot learning prowess, this paper introduces Language Models for Motion Control (LaMo), a general framework based on Decision Transformers to effectively use pre-trained Language Models (LMs) for offline RL. Our framework highlights four crucial components: (1) Initializing Decision Transformers with sequentially pre-trained LMs, (2) employing the LoRA fine-tuning method, in contrast to full-weight fine-tuning, to combine the pre-trained knowledge from LMs and in-domain knowledge effectively, (3) using the non-linear MLP transformation instead of linear projections, to generate embeddings, and (4) integrating an auxiliary language prediction loss during fine-tuning to stabilize the LMs and retain their original abilities on languages. Empirical results indicate LaMo achieves state-of-the-art performance in sparse-reward tasks and closes the gap between value-based offline RL methods and decision transformers in dense-reward tasks. In particular, our method demonstrates superior performance in scenarios with limited data samples. Our project website is https://lamo2023.github.io

  • 5 authors
·
Oct 31, 2023 1

RecRecNet: Rectangling Rectified Wide-Angle Images by Thin-Plate Spline Model and DoF-based Curriculum Learning

The wide-angle lens shows appealing applications in VR technologies, but it introduces severe radial distortion into its captured image. To recover the realistic scene, previous works devote to rectifying the content of the wide-angle image. However, such a rectification solution inevitably distorts the image boundary, which potentially changes related geometric distributions and misleads the current vision perception models. In this work, we explore constructing a win-win representation on both content and boundary by contributing a new learning model, i.e., Rectangling Rectification Network (RecRecNet). In particular, we propose a thin-plate spline (TPS) module to formulate the non-linear and non-rigid transformation for rectangling images. By learning the control points on the rectified image, our model can flexibly warp the source structure to the target domain and achieves an end-to-end unsupervised deformation. To relieve the complexity of structure approximation, we then inspire our RecRecNet to learn the gradual deformation rules with a DoF (Degree of Freedom)-based curriculum learning. By increasing the DoF in each curriculum stage, namely, from similarity transformation (4-DoF) to homography transformation (8-DoF), the network is capable of investigating more detailed deformations, offering fast convergence on the final rectangling task. Experiments show the superiority of our solution over the compared methods on both quantitative and qualitative evaluations. The code and dataset will be made available.

  • 5 authors
·
Jan 4, 2023

TempSamp-R1: Effective Temporal Sampling with Reinforcement Fine-Tuning for Video LLMs

This paper introduces TempSamp-R1, a new reinforcement fine-tuning framework designed to improve the effectiveness of adapting multimodal large language models (MLLMs) to video temporal grounding tasks. We reveal that existing reinforcement learning methods, such as Group Relative Policy Optimization (GRPO), rely on on-policy sampling for policy updates. However, in tasks with large temporal search spaces, this strategy becomes both inefficient and limited in performance, as it often fails to identify temporally accurate solutions. To address this limitation, TempSamp-R1 leverages ground-truth annotations as off-policy supervision to provide temporally precise guidance, effectively compensating for the sparsity and misalignment in on-policy solutions. To further stabilize training and reduce variance in reward-based updates, TempSamp-R1 provides a non-linear soft advantage computation method that dynamically reshapes the reward feedback via an asymmetric transformation. By employing a hybrid Chain-of-Thought (CoT) training paradigm, TempSamp-R1 optimizes a single unified model to support both CoT and non-CoT inference modes, enabling efficient handling of queries with varying reasoning complexity. Experimental results demonstrate that TempSamp-R1 outperforms GRPO-based baselines, establishing new state-of-the-art performance on benchmark datasets: Charades-STA ([email protected]: 52.9%, +2.7%), ActivityNet Captions ([email protected]: 56.0%, +5.3%), and QVHighlights (mAP: 30.0%, +3.0%). Moreover, TempSamp-R1 shows robust few-shot generalization capabilities under limited data. Code: https://github.com/HVision-NKU/TempSamp-R1

  • 7 authors
·
Sep 22 3

Unsupervised Manifold Linearizing and Clustering

We consider the problem of simultaneously clustering and learning a linear representation of data lying close to a union of low-dimensional manifolds, a fundamental task in machine learning and computer vision. When the manifolds are assumed to be linear subspaces, this reduces to the classical problem of subspace clustering, which has been studied extensively over the past two decades. Unfortunately, many real-world datasets such as natural images can not be well approximated by linear subspaces. On the other hand, numerous works have attempted to learn an appropriate transformation of the data, such that data is mapped from a union of general non-linear manifolds to a union of linear subspaces (with points from the same manifold being mapped to the same subspace). However, many existing works have limitations such as assuming knowledge of the membership of samples to clusters, requiring high sampling density, or being shown theoretically to learn trivial representations. In this paper, we propose to optimize the Maximal Coding Rate Reduction metric with respect to both the data representation and a novel doubly stochastic cluster membership, inspired by state-of-the-art subspace clustering results. We give a parameterization of such a representation and membership, allowing efficient mini-batching and one-shot initialization. Experiments on CIFAR-10, -20, -100, and TinyImageNet-200 datasets show that the proposed method is much more accurate and scalable than state-of-the-art deep clustering methods, and further learns a latent linear representation of the data.

  • 6 authors
·
Jan 4, 2023

Synthesizing mixed-integer linear programming models from natural language descriptions

Numerous real-world decision-making problems can be formulated and solved using Mixed-Integer Linear Programming (MILP) models. However, the transformation of these problems into MILP models heavily relies on expertise in operations research and mathematical optimization, which restricts non-experts' accessibility to MILP. To address this challenge, we propose a framework for automatically formulating MILP models from unstructured natural language descriptions of decision problems, which integrates Large Language Models (LLMs) and mathematical modeling techniques. This framework consists of three phases: i) identification of decision variables, ii) classification of objective and constraints, and iii) finally, generation of MILP models. In this study, we present a constraint classification scheme and a set of constraint templates that can guide the LLMs in synthesizing a complete MILP model. After fine-tuning LLMs, our approach can identify and synthesize logic constraints in addition to classic demand and resource constraints. The logic constraints have not been studied in existing work. To evaluate the performance of the proposed framework, we extend the NL4Opt dataset with more problem descriptions and constraint types, and with the new dataset, we compare our framework with one-step model generation methods offered by LLMs. The experimental results reveal that with respect to the accuracies of generating the correct model, objective, and constraints, our method which integrates constraint classification and templates with LLMs significantly outperforms the others. The prototype system that we developed has a great potential to capture more constraints for more complex MILPs. It opens up opportunities for developing training tools for operations research practitioners and has the potential to be a powerful tool for automatic decision problem modeling and solving in practice.

  • 3 authors
·
Nov 26, 2023

Adaptive Nonlinear Latent Transformation for Conditional Face Editing

Recent works for face editing usually manipulate the latent space of StyleGAN via the linear semantic directions. However, they usually suffer from the entanglement of facial attributes, need to tune the optimal editing strength, and are limited to binary attributes with strong supervision signals. This paper proposes a novel adaptive nonlinear latent transformation for disentangled and conditional face editing, termed AdaTrans. Specifically, our AdaTrans divides the manipulation process into several finer steps; i.e., the direction and size at each step are conditioned on both the facial attributes and the latent codes. In this way, AdaTrans describes an adaptive nonlinear transformation trajectory to manipulate the faces into target attributes while keeping other attributes unchanged. Then, AdaTrans leverages a predefined density model to constrain the learned trajectory in the distribution of latent codes by maximizing the likelihood of transformed latent code. Moreover, we also propose a disentangled learning strategy under a mutual information framework to eliminate the entanglement among attributes, which can further relax the need for labeled data. Consequently, AdaTrans enables a controllable face editing with the advantages of disentanglement, flexibility with non-binary attributes, and high fidelity. Extensive experimental results on various facial attributes demonstrate the qualitative and quantitative effectiveness of the proposed AdaTrans over existing state-of-the-art methods, especially in the most challenging scenarios with a large age gap and few labeled examples. The source code is available at https://github.com/Hzzone/AdaTrans.

  • 4 authors
·
Jul 15, 2023

UltraGCN: Ultra Simplification of Graph Convolutional Networks for Recommendation

With the recent success of graph convolutional networks (GCNs), they have been widely applied for recommendation, and achieved impressive performance gains. The core of GCNs lies in its message passing mechanism to aggregate neighborhood information. However, we observed that message passing largely slows down the convergence of GCNs during training, especially for large-scale recommender systems, which hinders their wide adoption. LightGCN makes an early attempt to simplify GCNs for collaborative filtering by omitting feature transformations and nonlinear activations. In this paper, we take one step further to propose an ultra-simplified formulation of GCNs (dubbed UltraGCN), which skips infinite layers of message passing for efficient recommendation. Instead of explicit message passing, UltraGCN resorts to directly approximate the limit of infinite-layer graph convolutions via a constraint loss. Meanwhile, UltraGCN allows for more appropriate edge weight assignments and flexible adjustment of the relative importances among different types of relationships. This finally yields a simple yet effective UltraGCN model, which is easy to implement and efficient to train. Experimental results on four benchmark datasets show that UltraGCN not only outperforms the state-of-the-art GCN models but also achieves more than 10x speedup over LightGCN. Our source code will be available at https://reczoo.github.io/UltraGCN.

  • 6 authors
·
Oct 28, 2021

LightGCN: Simplifying and Powering Graph Convolution Network for Recommendation

Graph Convolution Network (GCN) has become new state-of-the-art for collaborative filtering. Nevertheless, the reasons of its effectiveness for recommendation are not well understood. Existing work that adapts GCN to recommendation lacks thorough ablation analyses on GCN, which is originally designed for graph classification tasks and equipped with many neural network operations. However, we empirically find that the two most common designs in GCNs -- feature transformation and nonlinear activation -- contribute little to the performance of collaborative filtering. Even worse, including them adds to the difficulty of training and degrades recommendation performance. In this work, we aim to simplify the design of GCN to make it more concise and appropriate for recommendation. We propose a new model named LightGCN, including only the most essential component in GCN -- neighborhood aggregation -- for collaborative filtering. Specifically, LightGCN learns user and item embeddings by linearly propagating them on the user-item interaction graph, and uses the weighted sum of the embeddings learned at all layers as the final embedding. Such simple, linear, and neat model is much easier to implement and train, exhibiting substantial improvements (about 16.0\% relative improvement on average) over Neural Graph Collaborative Filtering (NGCF) -- a state-of-the-art GCN-based recommender model -- under exactly the same experimental setting. Further analyses are provided towards the rationality of the simple LightGCN from both analytical and empirical perspectives.

  • 6 authors
·
Feb 6, 2020

Decomposing The Dark Matter of Sparse Autoencoders

Sparse autoencoders (SAEs) are a promising technique for decomposing language model activations into interpretable linear features. However, current SAEs fall short of completely explaining model performance, resulting in "dark matter": unexplained variance in activations. This work investigates dark matter as an object of study in its own right. Surprisingly, we find that much of SAE dark matter--about half of the error vector itself and >90% of its norm--can be linearly predicted from the initial activation vector. Additionally, we find that the scaling behavior of SAE error norms at a per token level is remarkably predictable: larger SAEs mostly struggle to reconstruct the same contexts as smaller SAEs. We build on the linear representation hypothesis to propose models of activations that might lead to these observations, including postulating a new type of "introduced error"; these insights imply that the part of the SAE error vector that cannot be linearly predicted ("nonlinear" error) might be fundamentally different from the linearly predictable component. To validate this hypothesis, we empirically analyze nonlinear SAE error and show that 1) it contains fewer not yet learned features, 2) SAEs trained on it are quantitatively worse, 3) it helps predict SAE per-token scaling behavior, and 4) it is responsible for a proportional amount of the downstream increase in cross entropy loss when SAE activations are inserted into the model. Finally, we examine two methods to reduce nonlinear SAE error at a fixed sparsity: inference time gradient pursuit, which leads to a very slight decrease in nonlinear error, and linear transformations from earlier layer SAE outputs, which leads to a larger reduction.

  • 3 authors
·
Oct 18, 2024

Automatic Tooth Arrangement with Joint Features of Point and Mesh Representations via Diffusion Probabilistic Models

Tooth arrangement is a crucial step in orthodontics treatment, in which aligning teeth could improve overall well-being, enhance facial aesthetics, and boost self-confidence. To improve the efficiency of tooth arrangement and minimize errors associated with unreasonable designs by inexperienced practitioners, some deep learning-based tooth arrangement methods have been proposed. Currently, most existing approaches employ MLPs to model the nonlinear relationship between tooth features and transformation matrices to achieve tooth arrangement automatically. However, the limited datasets (which to our knowledge, have not been made public) collected from clinical practice constrain the applicability of existing methods, making them inadequate for addressing diverse malocclusion issues. To address this challenge, we propose a general tooth arrangement neural network based on the diffusion probabilistic model. Conditioned on the features extracted from the dental model, the diffusion probabilistic model can learn the distribution of teeth transformation matrices from malocclusion to normal occlusion by gradually denoising from a random variable, thus more adeptly managing real orthodontic data. To take full advantage of effective features, we exploit both mesh and point cloud representations by designing different encoding networks to extract the tooth (local) and jaw (global) features, respectively. In addition to traditional metrics ADD, PA-ADD, CSA, and ME_{rot}, we propose a new evaluation metric based on dental arch curves to judge whether the generated teeth meet the individual normal occlusion. Experimental results demonstrate that our proposed method achieves state-of-the-art tooth alignment results and satisfactory occlusal relationships between dental arches. We will publish the code and dataset.

  • 7 authors
·
Dec 22, 2023

S2LIC: Learned Image Compression with the SwinV2 Block, Adaptive Channel-wise and Global-inter Attention Context

Recently, deep learning technology has been successfully applied in the field of image compression, leading to superior rate-distortion performance. It is crucial to design an effective and efficient entropy model to estimate the probability distribution of the latent representation. However, the majority of entropy models primarily focus on one-dimensional correlation processing between channel and spatial information. In this paper, we propose an Adaptive Channel-wise and Global-inter attention Context (ACGC) entropy model, which can efficiently achieve dual feature aggregation in both inter-slice and intraslice contexts. Specifically, we divide the latent representation into different slices and then apply the ACGC model in a parallel checkerboard context to achieve faster decoding speed and higher rate-distortion performance. In order to capture redundant global features across different slices, we utilize deformable attention in adaptive global-inter attention to dynamically refine the attention weights based on the actual spatial relationships and context. Furthermore, in the main transformation structure, we propose a high-performance S2LIC model. We introduce the residual SwinV2 Transformer model to capture global feature information and utilize a dense block network as the feature enhancement module to improve the nonlinear representation of the image within the transformation structure. Experimental results demonstrate that our method achieves faster encoding and decoding speeds and outperforms VTM-17.1 and some recent learned image compression methods in both PSNR and MS-SSIM metrics.

  • 4 authors
·
Mar 21, 2024

A Tour of Convolutional Networks Guided by Linear Interpreters

Convolutional networks are large linear systems divided into layers and connected by non-linear units. These units are the "articulations" that allow the network to adapt to the input. To understand how a network manages to solve a problem we must look at the articulated decisions in entirety. If we could capture the actions of non-linear units for a particular input, we would be able to replay the whole system back and forth as if it was always linear. It would also reveal the actions of non-linearities because the resulting linear system, a Linear Interpreter, depends on the input image. We introduce a hooking layer, called a LinearScope, which allows us to run the network and the linear interpreter in parallel. Its implementation is simple, flexible and efficient. From here we can make many curious inquiries: how do these linear systems look like? When the rows and columns of the transformation matrix are images, how do they look like? What type of basis do these linear transformations rely on? The answers depend on the problems presented, through which we take a tour to some popular architectures used for classification, super-resolution (SR) and image-to-image translation (I2I). For classification we observe that popular networks use a pixel-wise vote per class strategy and heavily rely on bias parameters. For SR and I2I we find that CNNs use wavelet-type basis similar to the human visual system. For I2I we reveal copy-move and template-creation strategies to generate outputs.

  • 4 authors
·
Aug 14, 2019

Uncertainty quantification in a mechanical submodel driven by a Wasserstein-GAN

The analysis of parametric and non-parametric uncertainties of very large dynamical systems requires the construction of a stochastic model of said system. Linear approaches relying on random matrix theory and principal componant analysis can be used when systems undergo low-frequency vibrations. In the case of fast dynamics and wave propagation, we investigate a random generator of boundary conditions for fast submodels by using machine learning. We show that the use of non-linear techniques in machine learning and data-driven methods is highly relevant. Physics-informed neural networks is a possible choice for a data-driven method to replace linear modal analysis. An architecture that support a random component is necessary for the construction of the stochastic model of the physical system for non-parametric uncertainties, since the goal is to learn the underlying probabilistic distribution of uncertainty in the data. Generative Adversarial Networks (GANs) are suited for such applications, where the Wasserstein-GAN with gradient penalty variant offers improved convergence results for our problem. The objective of our approach is to train a GAN on data from a finite element method code (Fenics) so as to extract stochastic boundary conditions for faster finite element predictions on a submodel. The submodel and the training data have both the same geometrical support. It is a zone of interest for uncertainty quantification and relevant to engineering purposes. In the exploitation phase, the framework can be viewed as a randomized and parametrized simulation generator on the submodel, which can be used as a Monte Carlo estimator.

  • 4 authors
·
Oct 26, 2021

Lie Group Decompositions for Equivariant Neural Networks

Invariance and equivariance to geometrical transformations have proven to be very useful inductive biases when training (convolutional) neural network models, especially in the low-data regime. Much work has focused on the case where the symmetry group employed is compact or abelian, or both. Recent work has explored enlarging the class of transformations used to the case of Lie groups, principally through the use of their Lie algebra, as well as the group exponential and logarithm maps. The applicability of such methods to larger transformation groups is limited by the fact that depending on the group of interest G, the exponential map may not be surjective. Further limitations are encountered when G is neither compact nor abelian. Using the structure and geometry of Lie groups and their homogeneous spaces, we present a framework by which it is possible to work with such groups primarily focusing on the Lie groups G = GL^{+}(n, R) and G = SL(n, R), as well as their representation as affine transformations R^{n} rtimes G. Invariant integration as well as a global parametrization is realized by decomposing the `larger` groups into subgroups and submanifolds which can be handled individually. Under this framework, we show how convolution kernels can be parametrized to build models equivariant with respect to affine transformations. We evaluate the robustness and out-of-distribution generalisation capability of our model on the standard affine-invariant benchmark classification task, where we outperform all previous equivariant models as well as all Capsule Network proposals.

  • 2 authors
·
Oct 17, 2023

A Mathematical Theory of Deep Convolutional Neural Networks for Feature Extraction

Deep convolutional neural networks have led to breakthrough results in numerous practical machine learning tasks such as classification of images in the ImageNet data set, control-policy-learning to play Atari games or the board game Go, and image captioning. Many of these applications first perform feature extraction and then feed the results thereof into a trainable classifier. The mathematical analysis of deep convolutional neural networks for feature extraction was initiated by Mallat, 2012. Specifically, Mallat considered so-called scattering networks based on a wavelet transform followed by the modulus non-linearity in each network layer, and proved translation invariance (asymptotically in the wavelet scale parameter) and deformation stability of the corresponding feature extractor. This paper complements Mallat's results by developing a theory that encompasses general convolutional transforms, or in more technical parlance, general semi-discrete frames (including Weyl-Heisenberg filters, curvelets, shearlets, ridgelets, wavelets, and learned filters), general Lipschitz-continuous non-linearities (e.g., rectified linear units, shifted logistic sigmoids, hyperbolic tangents, and modulus functions), and general Lipschitz-continuous pooling operators emulating, e.g., sub-sampling and averaging. In addition, all of these elements can be different in different network layers. For the resulting feature extractor we prove a translation invariance result of vertical nature in the sense of the features becoming progressively more translation-invariant with increasing network depth, and we establish deformation sensitivity bounds that apply to signal classes such as, e.g., band-limited functions, cartoon functions, and Lipschitz functions.

  • 2 authors
·
Dec 19, 2015

A Neural PDE Solver with Temporal Stencil Modeling

Numerical simulation of non-linear partial differential equations plays a crucial role in modeling physical science and engineering phenomena, such as weather, climate, and aerodynamics. Recent Machine Learning (ML) models trained on low-resolution spatio-temporal signals have shown new promises in capturing important dynamics in high-resolution signals, under the condition that the models can effectively recover the missing details. However, this study shows that significant information is often lost in the low-resolution down-sampled features. To address such issues, we propose a new approach, namely Temporal Stencil Modeling (TSM), which combines the strengths of advanced time-series sequence modeling (with the HiPPO features) and state-of-the-art neural PDE solvers (with learnable stencil modeling). TSM aims to recover the lost information from the PDE trajectories and can be regarded as a temporal generalization of classic finite volume methods such as WENO. Our experimental results show that TSM achieves the new state-of-the-art simulation accuracy for 2-D incompressible Navier-Stokes turbulent flows: it significantly outperforms the previously reported best results by 19.9% in terms of the highly-correlated duration time and reduces the inference latency into 80%. We also show a strong generalization ability of the proposed method to various out-of-distribution turbulent flow settings. Our code is available at "https://github.com/Edward-Sun/TSM-PDE".

  • 3 authors
·
Feb 16, 2023

Almost-Linear RNNs Yield Highly Interpretable Symbolic Codes in Dynamical Systems Reconstruction

Dynamical systems (DS) theory is fundamental for many areas of science and engineering. It can provide deep insights into the behavior of systems evolving in time, as typically described by differential or recursive equations. A common approach to facilitate mathematical tractability and interpretability of DS models involves decomposing nonlinear DS into multiple linear DS separated by switching manifolds, i.e. piecewise linear (PWL) systems. PWL models are popular in engineering and a frequent choice in mathematics for analyzing the topological properties of DS. However, hand-crafting such models is tedious and only possible for very low-dimensional scenarios, while inferring them from data usually gives rise to unnecessarily complex representations with very many linear subregions. Here we introduce Almost-Linear Recurrent Neural Networks (AL-RNNs) which automatically and robustly produce most parsimonious PWL representations of DS from time series data, using as few PWL nonlinearities as possible. AL-RNNs can be efficiently trained with any SOTA algorithm for dynamical systems reconstruction (DSR), and naturally give rise to a symbolic encoding of the underlying DS that provably preserves important topological properties. We show that for the Lorenz and R\"ossler systems, AL-RNNs discover, in a purely data-driven way, the known topologically minimal PWL representations of the corresponding chaotic attractors. We further illustrate on two challenging empirical datasets that interpretable symbolic encodings of the dynamics can be achieved, tremendously facilitating mathematical and computational analysis of the underlying systems.

  • 4 authors
·
Oct 18, 2024

Investigating the Benefits of Projection Head for Representation Learning

An effective technique for obtaining high-quality representations is adding a projection head on top of the encoder during training, then discarding it and using the pre-projection representations. Despite its proven practical effectiveness, the reason behind the success of this technique is poorly understood. The pre-projection representations are not directly optimized by the loss function, raising the question: what makes them better? In this work, we provide a rigorous theoretical answer to this question. We start by examining linear models trained with self-supervised contrastive loss. We reveal that the implicit bias of training algorithms leads to layer-wise progressive feature weighting, where features become increasingly unequal as we go deeper into the layers. Consequently, lower layers tend to have more normalized and less specialized representations. We theoretically characterize scenarios where such representations are more beneficial, highlighting the intricate interplay between data augmentation and input features. Additionally, we demonstrate that introducing non-linearity into the network allows lower layers to learn features that are completely absent in higher layers. Finally, we show how this mechanism improves the robustness in supervised contrastive learning and supervised learning. We empirically validate our results through various experiments on CIFAR-10/100, UrbanCars and shifted versions of ImageNet. We also introduce a potential alternative to projection head, which offers a more interpretable and controllable design.

  • 5 authors
·
Mar 17, 2024

Fréchet Cumulative Covariance Net for Deep Nonlinear Sufficient Dimension Reduction with Random Objects

Nonlinear sufficient dimension reductionlibing_generalSDR, which constructs nonlinear low-dimensional representations to summarize essential features of high-dimensional data, is an important branch of representation learning. However, most existing methods are not applicable when the response variables are complex non-Euclidean random objects, which are frequently encountered in many recent statistical applications. In this paper, we introduce a new statistical dependence measure termed Fr\'echet Cumulative Covariance (FCCov) and develop a novel nonlinear SDR framework based on FCCov. Our approach is not only applicable to complex non-Euclidean data, but also exhibits robustness against outliers. We further incorporate Feedforward Neural Networks (FNNs) and Convolutional Neural Networks (CNNs) to estimate nonlinear sufficient directions in the sample level. Theoretically, we prove that our method with squared Frobenius norm regularization achieves unbiasedness at the sigma-field level. Furthermore, we establish non-asymptotic convergence rates for our estimators based on FNNs and ResNet-type CNNs, which match the minimax rate of nonparametric regression up to logarithmic factors. Intensive simulation studies verify the performance of our methods in both Euclidean and non-Euclidean settings. We apply our method to facial expression recognition datasets and the results underscore more realistic and broader applicability of our proposal.

  • 3 authors
·
Feb 21

Evolving Normalization-Activation Layers

Normalization layers and activation functions are fundamental components in deep networks and typically co-locate with each other. Here we propose to design them using an automated approach. Instead of designing them separately, we unify them into a single tensor-to-tensor computation graph, and evolve its structure starting from basic mathematical functions. Examples of such mathematical functions are addition, multiplication and statistical moments. The use of low-level mathematical functions, in contrast to the use of high-level modules in mainstream NAS, leads to a highly sparse and large search space which can be challenging for search methods. To address the challenge, we develop efficient rejection protocols to quickly filter out candidate layers that do not work well. We also use multi-objective evolution to optimize each layer's performance across many architectures to prevent overfitting. Our method leads to the discovery of EvoNorms, a set of new normalization-activation layers with novel, and sometimes surprising structures that go beyond existing design patterns. For example, some EvoNorms do not assume that normalization and activation functions must be applied sequentially, nor need to center the feature maps, nor require explicit activation functions. Our experiments show that EvoNorms work well on image classification models including ResNets, MobileNets and EfficientNets but also transfer well to Mask R-CNN with FPN/SpineNet for instance segmentation and to BigGAN for image synthesis, outperforming BatchNorm and GroupNorm based layers in many cases.

  • 4 authors
·
Apr 6, 2020

Flow Straight and Fast: Learning to Generate and Transfer Data with Rectified Flow

We present rectified flow, a surprisingly simple approach to learning (neural) ordinary differential equation (ODE) models to transport between two empirically observed distributions \pi_0 and \pi_1, hence providing a unified solution to generative modeling and domain transfer, among various other tasks involving distribution transport. The idea of rectified flow is to learn the ODE to follow the straight paths connecting the points drawn from \pi_0 and \pi_1 as much as possible. This is achieved by solving a straightforward nonlinear least squares optimization problem, which can be easily scaled to large models without introducing extra parameters beyond standard supervised learning. The straight paths are special and preferred because they are the shortest paths between two points, and can be simulated exactly without time discretization and hence yield computationally efficient models. We show that the procedure of learning a rectified flow from data, called rectification, turns an arbitrary coupling of \pi_0 and \pi_1 to a new deterministic coupling with provably non-increasing convex transport costs. In addition, recursively applying rectification allows us to obtain a sequence of flows with increasingly straight paths, which can be simulated accurately with coarse time discretization in the inference phase. In empirical studies, we show that rectified flow performs superbly on image generation, image-to-image translation, and domain adaptation. In particular, on image generation and translation, our method yields nearly straight flows that give high quality results even with a single Euler discretization step.

  • 3 authors
·
Sep 7, 2022

PROSE: Predicting Operators and Symbolic Expressions using Multimodal Transformers

Approximating nonlinear differential equations using a neural network provides a robust and efficient tool for various scientific computing tasks, including real-time predictions, inverse problems, optimal controls, and surrogate modeling. Previous works have focused on embedding dynamical systems into networks through two approaches: learning a single solution operator (i.e., the mapping from input parametrized functions to solutions) or learning the governing system of equations (i.e., the constitutive model relative to the state variables). Both of these approaches yield different representations for the same underlying data or function. Additionally, observing that families of differential equations often share key characteristics, we seek one network representation across a wide range of equations. Our method, called Predicting Operators and Symbolic Expressions (PROSE), learns maps from multimodal inputs to multimodal outputs, capable of generating both numerical predictions and mathematical equations. By using a transformer structure and a feature fusion approach, our network can simultaneously embed sets of solution operators for various parametric differential equations using a single trained network. Detailed experiments demonstrate that the network benefits from its multimodal nature, resulting in improved prediction accuracy and better generalization. The network is shown to be able to handle noise in the data and errors in the symbolic representation, including noisy numerical values, model misspecification, and erroneous addition or deletion of terms. PROSE provides a new neural network framework for differential equations which allows for more flexibility and generality in learning operators and governing equations from data.

  • 3 authors
·
Sep 28, 2023

OLinear: A Linear Model for Time Series Forecasting in Orthogonally Transformed Domain

This paper presents OLinear, a linear-based multivariate time series forecasting model that operates in an orthogonally transformed domain. Recent forecasting models typically adopt the temporal forecast (TF) paradigm, which directly encode and decode time series in the time domain. However, the entangled step-wise dependencies in series data can hinder the performance of TF. To address this, some forecasters conduct encoding and decoding in the transformed domain using fixed, dataset-independent bases (e.g., sine and cosine signals in the Fourier transform). In contrast, we utilize OrthoTrans, a data-adaptive transformation based on an orthogonal matrix that diagonalizes the series' temporal Pearson correlation matrix. This approach enables more effective encoding and decoding in the decorrelated feature domain and can serve as a plug-in module to enhance existing forecasters. To enhance the representation learning for multivariate time series, we introduce a customized linear layer, NormLin, which employs a normalized weight matrix to capture multivariate dependencies. Empirically, the NormLin module shows a surprising performance advantage over multi-head self-attention, while requiring nearly half the FLOPs. Extensive experiments on 24 benchmarks and 140 forecasting tasks demonstrate that OLinear consistently achieves state-of-the-art performance with high efficiency. Notably, as a plug-in replacement for self-attention, the NormLin module consistently enhances Transformer-based forecasters. The code and datasets are available at https://anonymous.4open.science/r/OLinear

  • 8 authors
·
May 12

Revisiting Transformation Invariant Geometric Deep Learning: Are Initial Representations All You Need?

Geometric deep learning, i.e., designing neural networks to handle the ubiquitous geometric data such as point clouds and graphs, have achieved great successes in the last decade. One critical inductive bias is that the model can maintain invariance towards various transformations such as translation, rotation, and scaling. The existing graph neural network (GNN) approaches can only maintain permutation-invariance, failing to guarantee invariance with respect to other transformations. Besides GNNs, other works design sophisticated transformation-invariant layers, which are computationally expensive and difficult to be extended. To solve this problem, we revisit why the existing neural networks cannot maintain transformation invariance when handling geometric data. Our findings show that transformation-invariant and distance-preserving initial representations are sufficient to achieve transformation invariance rather than needing sophisticated neural layer designs. Motivated by these findings, we propose Transformation Invariant Neural Networks (TinvNN), a straightforward and general framework for geometric data. Specifically, we realize transformation-invariant and distance-preserving initial point representations by modifying multi-dimensional scaling before feeding the representations into neural networks. We prove that TinvNN can strictly guarantee transformation invariance, being general and flexible enough to be combined with the existing neural networks. Extensive experimental results on point cloud analysis and combinatorial optimization demonstrate the effectiveness and general applicability of our proposed method. Based on the experimental results, we advocate that TinvNN should be considered a new starting point and an essential baseline for further studies of transformation-invariant geometric deep learning.

  • 5 authors
·
Dec 22, 2021

BT^2: Backward-compatible Training with Basis Transformation

Modern retrieval system often requires recomputing the representation of every piece of data in the gallery when updating to a better representation model. This process is known as backfilling and can be especially costly in the real world where the gallery often contains billions of samples. Recently, researchers have proposed the idea of Backward Compatible Training (BCT) where the new representation model can be trained with an auxiliary loss to make it backward compatible with the old representation. In this way, the new representation can be directly compared with the old representation, in principle avoiding the need for any backfilling. However, followup work shows that there is an inherent tradeoff where a backward compatible representation model cannot simultaneously maintain the performance of the new model itself. This paper reports our ``not-so-surprising'' finding that adding extra dimensions to the representation can help here. However, we also found that naively increasing the dimension of the representation did not work. To deal with this, we propose Backward-compatible Training with a novel Basis Transformation (BT^2). A basis transformation (BT) is basically a learnable set of parameters that applies an orthonormal transformation. Such a transformation possesses an important property whereby the original information contained in its input is retained in its output. We show in this paper how a BT can be utilized to add only the necessary amount of additional dimensions. We empirically verify the advantage of BT^2 over other state-of-the-art methods in a wide range of settings. We then further extend BT^2 to other challenging yet more practical settings, including significant change in model architecture (CNN to Transformers), modality change, and even a series of updates in the model architecture mimicking the evolution of deep learning models.

  • 7 authors
·
Nov 7, 2022

PhysRig: Differentiable Physics-Based Skinning and Rigging Framework for Realistic Articulated Object Modeling

Skinning and rigging are fundamental components in animation, articulated object reconstruction, motion transfer, and 4D generation. Existing approaches predominantly rely on Linear Blend Skinning (LBS), due to its simplicity and differentiability. However, LBS introduces artifacts such as volume loss and unnatural deformations, and it fails to model elastic materials like soft tissues, fur, and flexible appendages (e.g., elephant trunks, ears, and fatty tissues). In this work, we propose PhysRig: a differentiable physics-based skinning and rigging framework that overcomes these limitations by embedding the rigid skeleton into a volumetric representation (e.g., a tetrahedral mesh), which is simulated as a deformable soft-body structure driven by the animated skeleton. Our method leverages continuum mechanics and discretizes the object as particles embedded in an Eulerian background grid to ensure differentiability with respect to both material properties and skeletal motion. Additionally, we introduce material prototypes, significantly reducing the learning space while maintaining high expressiveness. To evaluate our framework, we construct a comprehensive synthetic dataset using meshes from Objaverse, The Amazing Animals Zoo, and MixaMo, covering diverse object categories and motion patterns. Our method consistently outperforms traditional LBS-based approaches, generating more realistic and physically plausible results. Furthermore, we demonstrate the applicability of our framework in the pose transfer task highlighting its versatility for articulated object modeling.

  • 5 authors
·
Jun 25 3

Towards High-Quality 3D Motion Transfer with Realistic Apparel Animation

Animating stylized characters to match a reference motion sequence is a highly demanded task in film and gaming industries. Existing methods mostly focus on rigid deformations of characters' body, neglecting local deformations on the apparel driven by physical dynamics. They deform apparel the same way as the body, leading to results with limited details and unrealistic artifacts, e.g. body-apparel penetration. In contrast, we present a novel method aiming for high-quality motion transfer with realistic apparel animation. As existing datasets lack annotations necessary for generating realistic apparel animations, we build a new dataset named MMDMC, which combines stylized characters from the MikuMikuDance community with real-world Motion Capture data. We then propose a data-driven pipeline that learns to disentangle body and apparel deformations via two neural deformation modules. For body parts, we propose a geodesic attention block to effectively incorporate semantic priors into skeletal body deformation to tackle complex body shapes for stylized characters. Since apparel motion can significantly deviate from respective body joints, we propose to model apparel deformation in a non-linear vertex displacement field conditioned on its historic states. Extensive experiments show that our method produces results with superior quality for various types of apparel. Our dataset is released in https://github.com/rongakowang/MMDMC.

  • 4 authors
·
Jul 15, 2024

DiffuMatch: Category-Agnostic Spectral Diffusion Priors for Robust Non-rigid Shape Matching

Deep functional maps have recently emerged as a powerful tool for solving non-rigid shape correspondence tasks. Methods that use this approach combine the power and flexibility of the functional map framework, with data-driven learning for improved accuracy and generality. However, most existing methods in this area restrict the learning aspect only to the feature functions and still rely on axiomatic modeling for formulating the training loss or for functional map regularization inside the networks. This limits both the accuracy and the applicability of the resulting approaches only to scenarios where assumptions of the axiomatic models hold. In this work, we show, for the first time, that both in-network regularization and functional map training can be replaced with data-driven methods. For this, we first train a generative model of functional maps in the spectral domain using score-based generative modeling, built from a large collection of high-quality maps. We then exploit the resulting model to promote the structural properties of ground truth functional maps on new shape collections. Remarkably, we demonstrate that the learned models are category-agnostic, and can fully replace commonly used strategies such as enforcing Laplacian commutativity or orthogonality of functional maps. Our key technical contribution is a novel distillation strategy from diffusion models in the spectral domain. Experiments demonstrate that our learned regularization leads to better results than axiomatic approaches for zero-shot non-rigid shape matching. Our code is available at: https://github.com/daidedou/diffumatch/

  • 4 authors
·
Jul 31

Convolutional Neural Networks on non-uniform geometrical signals using Euclidean spectral transformation

Convolutional Neural Networks (CNN) have been successful in processing data signals that are uniformly sampled in the spatial domain (e.g., images). However, most data signals do not natively exist on a grid, and in the process of being sampled onto a uniform physical grid suffer significant aliasing error and information loss. Moreover, signals can exist in different topological structures as, for example, points, lines, surfaces and volumes. It has been challenging to analyze signals with mixed topologies (for example, point cloud with surface mesh). To this end, we develop mathematical formulations for Non-Uniform Fourier Transforms (NUFT) to directly, and optimally, sample nonuniform data signals of different topologies defined on a simplex mesh into the spectral domain with no spatial sampling error. The spectral transform is performed in the Euclidean space, which removes the translation ambiguity from works on the graph spectrum. Our representation has four distinct advantages: (1) the process causes no spatial sampling error during the initial sampling, (2) the generality of this approach provides a unified framework for using CNNs to analyze signals of mixed topologies, (3) it allows us to leverage state-of-the-art backbone CNN architectures for effective learning without having to design a particular architecture for a particular data structure in an ad-hoc fashion, and (4) the representation allows weighted meshes where each element has a different weight (i.e., texture) indicating local properties. We achieve results on par with the state-of-the-art for the 3D shape retrieval task, and a new state-of-the-art for the point cloud to surface reconstruction task.

  • 5 authors
·
Jan 7, 2019

Dual-Space NeRF: Learning Animatable Avatars and Scene Lighting in Separate Spaces

Modeling the human body in a canonical space is a common practice for capturing and animation. But when involving the neural radiance field (NeRF), learning a static NeRF in the canonical space is not enough because the lighting of the body changes when the person moves even though the scene lighting is constant. Previous methods alleviate the inconsistency of lighting by learning a per-frame embedding, but this operation does not generalize to unseen poses. Given that the lighting condition is static in the world space while the human body is consistent in the canonical space, we propose a dual-space NeRF that models the scene lighting and the human body with two MLPs in two separate spaces. To bridge these two spaces, previous methods mostly rely on the linear blend skinning (LBS) algorithm. However, the blending weights for LBS of a dynamic neural field are intractable and thus are usually memorized with another MLP, which does not generalize to novel poses. Although it is possible to borrow the blending weights of a parametric mesh such as SMPL, the interpolation operation introduces more artifacts. In this paper, we propose to use the barycentric mapping, which can directly generalize to unseen poses and surprisingly achieves superior results than LBS with neural blending weights. Quantitative and qualitative results on the Human3.6M and the ZJU-MoCap datasets show the effectiveness of our method.

  • 4 authors
·
Aug 31, 2022

On the Continuity of Rotation Representations in Neural Networks

In neural networks, it is often desirable to work with various representations of the same space. For example, 3D rotations can be represented with quaternions or Euler angles. In this paper, we advance a definition of a continuous representation, which can be helpful for training deep neural networks. We relate this to topological concepts such as homeomorphism and embedding. We then investigate what are continuous and discontinuous representations for 2D, 3D, and n-dimensional rotations. We demonstrate that for 3D rotations, all representations are discontinuous in the real Euclidean spaces of four or fewer dimensions. Thus, widely used representations such as quaternions and Euler angles are discontinuous and difficult for neural networks to learn. We show that the 3D rotations have continuous representations in 5D and 6D, which are more suitable for learning. We also present continuous representations for the general case of the n-dimensional rotation group SO(n). While our main focus is on rotations, we also show that our constructions apply to other groups such as the orthogonal group and similarity transforms. We finally present empirical results, which show that our continuous rotation representations outperform discontinuous ones for several practical problems in graphics and vision, including a simple autoencoder sanity test, a rotation estimator for 3D point clouds, and an inverse kinematics solver for 3D human poses.

  • 5 authors
·
Dec 17, 2018

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

  • 7 authors
·
Jun 12

Neural Network Approximations of PDEs Beyond Linearity: A Representational Perspective

A burgeoning line of research leverages deep neural networks to approximate the solutions to high dimensional PDEs, opening lines of theoretical inquiry focused on explaining how it is that these models appear to evade the curse of dimensionality. However, most prior theoretical analyses have been limited to linear PDEs. In this work, we take a step towards studying the representational power of neural networks for approximating solutions to nonlinear PDEs. We focus on a class of PDEs known as nonlinear elliptic variational PDEs, whose solutions minimize an Euler-Lagrange energy functional E(u) = int_Omega L(x, u(x), nabla u(x)) - f(x) u(x)dx. We show that if composing a function with Barron norm b with partial derivatives of L produces a function of Barron norm at most B_L b^p, the solution to the PDE can be epsilon-approximated in the L^2 sense by a function with Barron norm Oleft(left(dB_Lright)^{max{p log(1/ epsilon), p^{log(1/epsilon)}}}right). By a classical result due to Barron [1993], this correspondingly bounds the size of a 2-layer neural network needed to approximate the solution. Treating p, epsilon, B_L as constants, this quantity is polynomial in dimension, thus showing neural networks can evade the curse of dimensionality. Our proof technique involves neurally simulating (preconditioned) gradient in an appropriate Hilbert space, which converges exponentially fast to the solution of the PDE, and such that we can bound the increase of the Barron norm at each iterate. Our results subsume and substantially generalize analogous prior results for linear elliptic PDEs over a unit hypercube.

  • 4 authors
·
Oct 21, 2022

Lagrangian PINNs: A causality-conforming solution to failure modes of physics-informed neural networks

Physics-informed neural networks (PINNs) leverage neural-networks to find the solutions of partial differential equation (PDE)-constrained optimization problems with initial conditions and boundary conditions as soft constraints. These soft constraints are often considered to be the sources of the complexity in the training phase of PINNs. Here, we demonstrate that the challenge of training (i) persists even when the boundary conditions are strictly enforced, and (ii) is closely related to the Kolmogorov n-width associated with problems demonstrating transport, convection, traveling waves, or moving fronts. Given this realization, we describe the mechanism underlying the training schemes such as those used in eXtended PINNs (XPINN), curriculum regularization, and sequence-to-sequence learning. For an important category of PDEs, i.e., governed by non-linear convection-diffusion equation, we propose reformulating PINNs on a Lagrangian frame of reference, i.e., LPINNs, as a PDE-informed solution. A parallel architecture with two branches is proposed. One branch solves for the state variables on the characteristics, and the second branch solves for the low-dimensional characteristics curves. The proposed architecture conforms to the causality innate to the convection, and leverages the direction of travel of the information in the domain. Finally, we demonstrate that the loss landscapes of LPINNs are less sensitive to the so-called "complexity" of the problems, compared to those in the traditional PINNs in the Eulerian framework.

  • 3 authors
·
May 5, 2022

Textured 3D Regenerative Morphing with 3D Diffusion Prior

Textured 3D morphing creates smooth and plausible interpolation sequences between two 3D objects, focusing on transitions in both shape and texture. This is important for creative applications like visual effects in filmmaking. Previous methods rely on establishing point-to-point correspondences and determining smooth deformation trajectories, which inherently restrict them to shape-only morphing on untextured, topologically aligned datasets. This restriction leads to labor-intensive preprocessing and poor generalization. To overcome these challenges, we propose a method for 3D regenerative morphing using a 3D diffusion prior. Unlike previous methods that depend on explicit correspondences and deformations, our method eliminates the additional need for obtaining correspondence and uses the 3D diffusion prior to generate morphing. Specifically, we introduce a 3D diffusion model and interpolate the source and target information at three levels: initial noise, model parameters, and condition features. We then explore an Attention Fusion strategy to generate more smooth morphing sequences. To further improve the plausibility of semantic interpolation and the generated 3D surfaces, we propose two strategies: (a) Token Reordering, where we match approximate tokens based on semantic analysis to guide implicit correspondences in the denoising process of the diffusion model, and (b) Low-Frequency Enhancement, where we enhance low-frequency signals in the tokens to improve the quality of generated surfaces. Experimental results show that our method achieves superior smoothness and plausibility in 3D morphing across diverse cross-category object pairs, offering a novel regenerative method for 3D morphing with textured representations.

  • 4 authors
·
Feb 20