OpenRaiser/Intern-Atlas huggingface dataset:
Robustness to Unbounded Smoothness of Generalized SignSGD
Venue: Conference NeurIPS 2022
Year: 2022

Traditional analyses in non-convex optimization typically rely on the smoothness assumption, namely requiring the gradients to be Lipschitz. However, recent evidence shows that this smoothness condition does not capture the properties of some deep learning objective functions, including the ones involving Recurrent Neural Networks and LSTMs. Instead, they satisfy a much more relaxed condition, with potentially unbounded smoothness. Under this relaxed assumption, it has been theoretically and empirically shown that the gradient-clipped SGD has an advantage over the vanilla one. In this paper, we show that clipping is not indispensable for Adam-type algorithms in tackling such scenarios: we theoretically prove that a generalized SignSGD algorithm can obtain similar convergence rates as SGD with clipping but does not need explicit clipping at all. This family of algorithms on one end recovers SignSGD and on the other end closely resembles the popular Adam algorithm. Our analysis underlines the critical role that momentum plays in analyzing SignSGD-type and Adam-type algorithms: it not only reduces the effects of noise, thus removing the need for large mini-batch in previous analyses of SignSGD-type algorithms, but it also substantially reduces the effects of unbounded smoothness and gradient norms. We also compare these algorithms with popular optimizers on a set of deep learning tasks, observing that we can match the performance of Adam while beating the others.
GhostNetV2: Enhance Cheap Operation with Long-Range Attention
Venue: Conference NeurIPS 2022
Year: 2022

Light-weight convolutional neural networks (CNNs) are specially designed for applications on mobile devices with faster inference speed. The convolutional operation can only capture local information in a window region, which prevents performance from being further improved. Introducing self-attention into convolution can capture global information well, but it will largely encumber the actual speed. In this paper, we propose a hardware-friendly attention mechanism (dubbed DFC attention) and then present a new GhostNetV2 architecture for mobile applications. The proposed DFC attention is constructed based on fully-connected layers, which can not only execute fast on common hardware but also capture the dependence between long-range pixels. We further revisit the expressiveness bottleneck in previous GhostNet and propose to enhance expanded features produced by cheap operations with DFC attention, so that a GhostNetV2 block can aggregate local and long-range information simultaneously. Extensive experiments demonstrate the superiority of GhostNetV2 over existing architectures. For example, it achieves 75.3% top-1 accuracy on ImageNet with 167M FLOPs, significantly suppressing GhostNetV1 (74.5%) with a similar computational cost. The source code will be available at https://github.com/huawei-noah/Efficient-AI-Backbones/tree/master/ghostnetv2_pytorch and https://gitee.com/mindspore/models/tree/master/research/cv/ghostnetv2.
Analyzing Sharpness along GD Trajectory: Progressive Sharpening and Edge of Stability
Venue: Conference NeurIPS 2022
Year: 2022

Recent findings (e.g., arXiv:2103.00065) demonstrate that modern neural networks trained by full-batch gradient descent typically enter a regime called Edge of Stability (EOS). In this regime, the sharpness, i.e., the maximum Hessian eigenvalue, first increases to the value 2/(step size) (the progressive sharpening phase) and then oscillates around this value (the EOS phase). This paper aims to analyze the GD dynamics and the sharpness along the optimization trajectory. Our analysis naturally divides the GD trajectory into four phases depending on the change of the sharpness. We empirically identify the norm of output layer weight as an interesting indicator of sharpness dynamics. Based on this empirical observation, we attempt to theoretically and empirically explain the dynamics of various key quantities that lead to the change of sharpness in each phase of EOS. Moreover, based on certain assumptions, we provide a theoretical proof of the sharpness behavior in EOS regime in two-layer fully-connected linear neural networks. We also discuss some other empirical findings and the limitation of our theoretical results.
Nonnegative Tensor Completion via Integer Optimization
Venue: Conference NeurIPS 2022
Year: 2022

Unlike matrix completion, tensor completion does not have an algorithm that is known to achieve the information-theoretic sample complexity rate. This paper develops a new algorithm for the special case of completion for nonnegative tensors. We prove that our algorithm converges in a linear (in numerical tolerance) number of oracle steps, while achieving the information-theoretic rate. Our approach is to define a new norm for nonnegative tensors using the gauge of a particular 0-1 polytope; integer linear programming can, in turn, be used to solve linear separation problems over this polytope. We combine this insight with a variant of the Frank-Wolfe algorithm to construct our numerical algorithm, and we demonstrate its effectiveness and scalability through computational experiments using a laptop on tensors with up to one-hundred million entries.
LION: Latent Point Diffusion Models for 3D Shape Generation
Venue: Conference NeurIPS 2022
Year: 2022

Denoising diffusion models (DDMs) have shown promising results in 3D point cloud synthesis. To advance 3D DDMs and make them useful for digital artists, we require (i) high generation quality, (ii) flexibility for manipulation and applications such as conditional synthesis and shape interpolation, and (iii) the ability to output smooth surfaces or meshes. To this end, we introduce the hierarchical Latent Point Diffusion Model (LION) for 3D shape generation. LION is set up as a variational autoencoder (VAE) with a hierarchical latent space that combines a global shape latent representation with a point-structured latent space. For generation, we train two hierarchical DDMs in these latent spaces. The hierarchical VAE approach boosts performance compared to DDMs that operate on point clouds directly, while the point-structured latents are still ideally suited for DDM-based modeling. Experimentally, LION achieves state-of-the-art generation performance on multiple ShapeNet benchmarks. Furthermore, our VAE framework allows us to easily use LION for different relevant tasks: LION excels at multimodal shape denoising and voxel-conditioned synthesis, and it can be adapted for text- and image-driven 3D generation. We also demonstrate shape autoencoding and latent shape interpolation, and we augment LION with modern surface reconstruction techniques to generate smooth 3D meshes. We hope that LION provides a powerful tool for artists working with 3D shapes due to its high-quality generation, flexibility, and surface reconstruction. Project page and code: https://nv-tlabs.github.io/LION.
Momentum Adversarial Distillation: Handling Large Distribution Shifts in Data-Free Knowledge Distillation
Venue: Conference NeurIPS 2022
Year: 2022

Data-free Knowledge Distillation (DFKD) has attracted attention recently thanks to its appealing capability of transferring knowledge from a teacher network to a student network without using training data. The main idea is to use a generator to synthesize data for training the student. As the generator gets updated, the distribution of synthetic data will change. Such distribution shift could be large if the generator and the student are trained adversarially, causing the student to forget the knowledge it acquired at previous steps. To alleviate this problem, we propose a simple yet effective method called Momentum Adversarial Distillation (MAD) which maintains an exponential moving average (EMA) copy of the generator and uses synthetic samples from both the generator and the EMA generator to train the student. Since the EMA generator can be considered as an ensemble of the generator's old versions and often undergoes a smaller change in updates compared to the generator, training on its synthetic samples can help the student recall the past knowledge and prevent the student from adapting too quickly to new updates of the generator. Our experiments on six benchmark datasets including big datasets like ImageNet and Places365 demonstrate the superior performance of MAD over competing methods for handling the large distribution shift problem. Our method also compares favorably to existing DFKD methods and even achieves state-of-the-art results in some cases.
VideoMAE: Masked Autoencoders are Data-Efficient Learners for Self-Supervised Video Pre-Training
Venue: Conference NeurIPS 2022
Year: 2022

Pre-training video transformers on extra large-scale datasets is generally required to achieve premier performance on relatively small datasets. In this paper, we show that video masked autoencoders (VideoMAE) are data-efficient learners for self-supervised video pre-training (SSVP). We are inspired by the recent ImageMAE and propose customized video tube masking with an extremely high ratio. This simple design makes video reconstruction a more challenging self-supervision task, thus encouraging extracting more effective video representations during this pre-training process. We obtain three important findings on SSVP: (1) An extremely high proportion of masking ratio (i.e., 90% to 95%) still yields favorable performance of VideoMAE. The temporally redundant video content enables a higher masking ratio than that of images. (2) VideoMAE achieves impressive results on very small datasets (i.e., around 3k-4k videos) without using any extra data. (3) VideoMAE shows that data quality is more important than data quantity for SSVP. Domain shift between pre-training and target datasets is an important issue. Notably, our VideoMAE with the vanilla ViT can achieve 87.4% on Kinetics-400, 75.4% on Something-Something V2, 91.3% on UCF101, and 62.6% on HMDB51, without using any extra data. Code is available at https://github.com/MCG-NJU/VideoMAE.
MultiGuard: Provably Robust Multi-label Classification against Adversarial Examples
Venue: Conference NeurIPS 2022
Year: 2022

Multi-label classification, which predicts a set of labels for an input, has many applications. However, multiple recent studies showed that multi-label classification is vulnerable to adversarial examples. In particular, an attacker can manipulate the labels predicted by a multi-label classifier for an input via adding carefully crafted, human-imperceptible perturbation to it. Existing provable defenses for multi-class classification achieve sub-optimal provable robustness guarantees when generalized to multi-label classification. In this work, we propose MultiGuard, the first provably robust defense against adversarial examples to multi-label classification. Our MultiGuard leverages randomized smoothing, which is the state-of-the-art technique to build provably robust classifiers. Specifically, given an arbitrary multi-label classifier, our MultiGuard builds a smoothed multi-label classifier via adding random noise to the input. We consider isotropic Gaussian noise in this work. Our major theoretical contribution is that we show a certain number of ground truth labels of an input are provably in the set of labels predicted by our MultiGuard when the $\ell_2$-norm of the adversarial perturbation added to the input is bounded. Moreover, we design an algorithm to compute our provable robustness guarantees. Empirically, we evaluate our MultiGuard on VOC 2007, MS-COCO, and NUS-WIDE benchmark datasets. Our code is available at: \url{https://github.com/quwenjie/MultiGuard}
On Leave-One-Out Conditional Mutual Information For Generalization
Venue: Conference NeurIPS 2022
Year: 2022

We derive information theoretic generalization bounds for supervised learning algorithms based on a new measure of leave-one-out conditional mutual information (loo-CMI). Contrary to other CMI bounds, which are black-box bounds that do not exploit the structure of the problem and may be hard to evaluate in practice, our loo-CMI bounds can be computed easily and can be interpreted in connection to other notions such as classical leave-one-out cross-validation, stability of the optimization algorithm, and the geometry of the loss-landscape. It applies both to the output of training algorithms as well as their predictions. We empirically validate the quality of the bound by evaluating its predicted generalization gap in scenarios for deep learning. In particular, our bounds are non-vacuous on large-scale image-classification tasks.
Parameter-Efficient Masking Networks
Venue: Conference NeurIPS 2022
Year: 2022

A deeper network structure generally handles more complicated non-linearity and performs more competitively. Nowadays, advanced network designs often contain a large number of repetitive structures (e.g., Transformer). They empower the network capacity to a new level but also increase the model size inevitably, which is unfriendly to either model restoring or transferring. In this study, we are the first to investigate the representative potential of fixed random weights with limited unique values by learning diverse masks and introduce the Parameter-Efficient Masking Networks (PEMN). It also naturally leads to a new paradigm for model compression to diminish the model size. Concretely, motivated by the repetitive structures in modern neural networks, we utilize one random initialized layer, accompanied with different masks, to convey different feature mappings and represent repetitive network modules. Therefore, the model can be expressed as \textit{one-layer} with a bunch of masks, which significantly reduce the model storage cost. Furthermore, we enhance our strategy by learning masks for a model filled by padding a given random weights vector. In this way, our method can further lower the space complexity, especially for models without many repetitive architectures. We validate the potential of PEMN learning masks on random weights with limited unique values and test its effectiveness for a new compression paradigm based on different network architectures. Code is available at https://github.com/yueb17/PEMN
Toward Robust Spiking Neural Network Against Adversarial Perturbation
Venue: Conference NeurIPS 2022
Year: 2022

As spiking neural networks (SNNs) are deployed increasingly in real-world efficiency critical applications, the security concerns in SNNs attract more attention. Currently, researchers have already demonstrated an SNN can be attacked with adversarial examples. How to build a robust SNN becomes an urgent issue. Recently, many studies apply certified training in artificial neural networks (ANNs), which can improve the robustness of an NN model promisely. However, existing certifications cannot transfer to SNNs directly because of the distinct neuron behavior and input formats for SNNs. In this work, we first design S-IBP and S-CROWN that tackle the non-linear functions in SNNs' neuron modeling. Then, we formalize the boundaries for both digital and spike inputs. Finally, we demonstrate the efficiency of our proposed robust training method in different datasets and model architectures. Based on our experiment, we can achieve a maximum $37.7\%$ attack error reduction with $3.7\%$ original accuracy loss. To the best of our knowledge, this is the first analysis on robust training of SNNs.
End-to-end Symbolic Regression with Transformers
Venue: Conference NeurIPS 2022
Year: 2022

Symbolic regression, the task of predicting the mathematical expression of a function from the observation of its values, is a difficult task which usually involves a two-step procedure: predicting the "skeleton" of the expression up to the choice of numerical constants, then fitting the constants by optimizing a non-convex loss function. The dominant approach is genetic programming, which evolves candidates by iterating this subroutine a large number of times. Neural networks have recently been tasked to predict the correct skeleton in a single try, but remain much less powerful. In this paper, we challenge this two-step procedure, and task a Transformer to directly predict the full mathematical expression, constants included. One can subsequently refine the predicted constants by feeding them to the non-convex optimizer as an informed initialization. We present ablations to show that this end-to-end approach yields better results, sometimes even without the refinement step. We evaluate our model on problems from the SRBench benchmark and show that our model approaches the performance of state-of-the-art genetic programming with several orders of magnitude faster inference.
Gold-standard solutions to the Schrödinger equation using deep learning: How much physics do we need?
Venue: Conference NeurIPS 2022
Year: 2022

Finding accurate solutions to the Schrödinger equation is the key unsolved challenge of computational chemistry. Given its importance for the development of new chemical compounds, decades of research have been dedicated to this problem, but due to the large dimensionality even the best available methods do not yet reach the desired accuracy. Recently the combination of deep learning with Monte Carlo methods has emerged as a promising way to obtain highly accurate energies and moderate scaling of computational cost. In this paper we significantly contribute towards this goal by introducing a novel deep-learning architecture that achieves 40-70% lower energy error at 6x lower computational cost compared to previous approaches. Using our method we establish a new benchmark by calculating the most accurate variational ground state energies ever published for a number of different atoms and molecules. We systematically break down and measure our improvements, focusing in particular on the effect of increasing physical prior knowledge. We surprisingly find that increasing the prior knowledge given to the architecture can actually decrease accuracy.
HorNet: Efficient High-Order Spatial Interactions with Recursive Gated Convolutions
Venue: Conference NeurIPS 2022
Year: 2022

Recent progress in vision Transformers exhibits great success in various tasks driven by the new spatial modeling mechanism based on dot-product self-attention. In this paper, we show that the key ingredients behind the vision Transformers, namely input-adaptive, long-range and high-order spatial interactions, can also be efficiently implemented with a convolution-based framework. We present the Recursive Gated Convolution ($\textit{g}^\textit{n}$Conv) that performs high-order spatial interactions with gated convolutions and recursive designs. The new operation is highly flexible and customizable, which is compatible with various variants of convolution and extends the two-order interactions in self-attention to arbitrary orders without introducing significant extra computation. $\textit{g}^\textit{n}$Conv can serve as a plug-and-play module to improve various vision Transformers and convolution-based models. Based on the operation, we construct a new family of generic vision backbones named HorNet. Extensive experiments on ImageNet classification, COCO object detection and ADE20K semantic segmentation show HorNet outperform Swin Transformers and ConvNeXt by a significant margin with similar overall architecture and training configurations. HorNet also shows favorable scalability to more training data and larger model sizes. Apart from the effectiveness in visual encoders, we also show $\textit{g}^\textit{n}$Conv can be applied to task-specific decoders and consistently improve dense prediction performance with less computation. Our results demonstrate that $\textit{g}^\textit{n}$Conv can be a new basic module for visual modeling that effectively combines the merits of both vision Transformers and CNNs. Code is available at https://github.com/raoyongming/HorNet
Decomposed Knowledge Distillation for Class-Incremental Semantic Segmentation
Venue: Conference NeurIPS 2022
Year: 2022

Class-incremental semantic segmentation (CISS) labels each pixel of an image with a corresponding object/stuff class continually. To this end, it is crucial to learn novel classes incrementally without forgetting previously learned knowledge. Current CISS methods typically use a knowledge distillation (KD) technique for preserving classifier logits, or freeze a feature extractor, to avoid the forgetting problem. The strong constraints, however, prevent learning discriminative features for novel classes. We introduce a CISS framework that alleviates the forgetting problem and facilitates learning novel classes effectively. We have found that a logit can be decomposed into two terms. They quantify how likely an input belongs to a particular class or not, providing a clue for a reasoning process of a model. The KD technique, in this context, preserves the sum of two terms (i.e., a class logit), suggesting that each could be changed and thus the KD does not imitate the reasoning process. To impose constraints on each term explicitly, we propose a new decomposed knowledge distillation (DKD) technique, improving the rigidity of a model and addressing the forgetting problem more effectively. We also introduce a novel initialization method to train new classifiers for novel classes. In CISS, the number of negative training samples for novel classes is not sufficient to discriminate old classes. To mitigate this, we propose to transfer knowledge of negatives to the classifiers successively using an auxiliary classifier, boosting the performance significantly. Experimental results on standard CISS benchmarks demonstrate the effectiveness of our framework.
Reduced Representation of Deformation Fields for Effective Non-rigid Shape Matching
Venue: Conference NeurIPS 2022
Year: 2022

In this work we present a novel approach for computing correspondences between non-rigid objects, by exploiting a reduced representation of deformation fields. Different from existing works that represent deformation fields by training a general-purpose neural network, we advocate for an approximation based on mesh-free methods. By letting the network learn deformation parameters at a sparse set of positions in space (nodes), we reconstruct the continuous deformation field in a closed-form with guaranteed smoothness. With this reduction in degrees of freedom, we show significant improvement in terms of data-efficiency thus enabling limited supervision. Furthermore, our approximation provides direct access to first-order derivatives of deformation fields, which facilitates enforcing desirable regularization effectively. Our resulting model has high expressive power and is able to capture complex deformations. We illustrate its effectiveness through state-of-the-art results across multiple deformable shape matching benchmarks. Our code and data are publicly available at: https://github.com/Sentient07/DeformationBasis.