NeurIPS 2022 论文列表

Large-scale vision-language pre-training has shown impressive advances in a wide range of downstream tasks. Existing methods mainly model the cross-modal alignment by the similarity of the global representations of images and text, or advanced cross-modal attention upon image and text features. However, they fail to explicitly learn the fine-grained semantic alignment between visual regions and textual phrases, as only global image-text alignment information is available. In this paper, we introduce LOUPE, a fine-grained semantically aLigned visiOn-langUage PrE-training framework, which learns fine-grained semantic alignment from the novel perspective of game-theoretic interactions. To efficiently estimate the game-theoretic interactions, we further propose an uncertainty-aware neural Shapley interaction learning module. Experiments show that LOUPE achieves state-of-the-art performance on a variety of vision-language tasks. Without any object-level human annotations and fine-tuning, LOUPE achieves competitive performance on object detection and visual grounding. More importantly, LOUPE opens a new promising direction of learning fine-grained semantics from large-scale raw image-text pairs.

Correctly capturing intraoperative brain shift in image-guided neurosurgical procedures is a critical task for aligning preoperative data with intraoperative geometry for ensuring accurate surgical navigation. While the finite element method (FEM) is a proven technique to effectively approximate soft tissue deformation through biomechanical formulations, their degree of success boils down to a trade-off between accuracy and speed. To circumvent this problem, the most recent works in this domain have proposed leveraging data-driven models obtained by training various machine learning algorithms---e.g., random forests, artificial neural networks (ANNs)---with the results of finite element analysis (FEA) to speed up tissue deformation approximations by prediction. These methods, however, do not account for the structure of the finite element (FE) mesh during training that provides information on node connectivities as well as the distance between them, which can aid with approximating tissue deformation based on the proximity of force load points with the rest of the mesh nodes. Therefore, this work proposes a novel framework, PhysGNN, a data-driven model that approximates the solution of the FEM by leveraging graph neural networks (GNNs), which are capable of accounting for the mesh structural information and inductive learning over unstructured grids and complex topological structures. Empirically, we demonstrate that the proposed architecture, PhysGNN, promises accurate and fast soft tissue deformation approximations, and is competitive with the state-of-the-art (SOTA) algorithms while promising enhanced computational feasibility, therefore suitable for neurosurgical settings.

We study the problem of policy optimization (PO) with linear temporal logic (LTL) constraints. The language of LTL allows flexible description of tasks that may be unnatural to encode as a scalar cost function. We consider LTL-constrained PO as a systematic framework, decoupling task specification from policy selection, and an alternative to the standard of cost shaping. With access to a generative model, we develop a model-based approach that enjoys a sample complexity analysis for guaranteeing both task satisfaction and cost optimality (through a reduction to a reachability problem). Empirically, our algorithm can achieve strong performance even in low sample regimes.

The success of AlphaZero (AZ) has demonstrated that neural-network-based Go AIs can surpass human performance by a large margin. Given that the state space of Go is extremely large and a human player can play the game from any legal state, we ask whether adversarial states exist for Go AIs that may lead them to play surprisingly wrong actions. In this paper, we first extend the concept of adversarial examples to the game of Go: we generate perturbed states that are ``semantically'' equivalent to the original state by adding meaningless moves to the game, and an adversarial state is a perturbed state leading to an undoubtedly inferior action that is obvious even for Go beginners. However, searching the adversarial state is challenging due to the large, discrete, and non-differentiable search space. To tackle this challenge, we develop the first adversarial attack on Go AIs that can efficiently search for adversarial states by strategically reducing the search space. This method can also be extended to other board games such as NoGo. Experimentally, we show that the actions taken by both Policy-Value neural network (PV-NN) and Monte Carlo tree search (MCTS) can be misled by adding one or two meaningless stones; for example, on 58\% of the AlphaGo Zero self-play games, our method can make the widely used KataGo agent with 50 simulations of MCTS plays a losing action by adding two meaningless stones. We additionally evaluated the adversarial examples found by our algorithm with amateur human Go players, and 90\% of examples indeed lead the Go agent to play an obviously inferior action. Our code is available at \url{https://PaperCode.cc/GoAttack}.

Zero-cost proxies (ZC proxies) are a recent architecture performance prediction technique aiming to significantly speed up algorithms for neural architecture search (NAS). Recent work has shown that these techniques show great promise, but certain aspects, such as evaluating and exploiting their complementary strengths, are under-studied. In this work, we create NAS-Bench-Suite: we evaluate 13 ZC proxies across 28 tasks, creating by far the largest dataset (and unified codebase) for ZC proxies, enabling orders-of-magnitude faster experiments on ZC proxies, while avoiding confounding factors stemming from different implementations. To demonstrate the usefulness of NAS-Bench-Suite, we run a large-scale analysis of ZC proxies, including a bias analysis, and the first information-theoretic analysis which concludes that ZC proxies capture substantial complementary information. Motivated by these findings, we present a procedure to improve the performance of ZC proxies by reducing biases such as cell size, and we also show that incorporating all 13 ZC proxies into the surrogate models used by NAS algorithms can improve their predictive performance by up to 42%. Our code and datasets are available at https://github.com/automl/naslib/tree/zerocost.

Transformer architecture has become the fundamental element of the widespread natural language processing~(NLP) models. With the trends of large NLP models, the increasing memory and computation costs hinder their efficient deployment on resource-limited devices. Therefore, transformer quantization attracts wide research interest. Recent work recognizes that structured outliers are the critical bottleneck for quantization performance. However, their proposed methods increase the computation overhead and still leave the outliers there. To fundamentally address this problem, this paper delves into the inherent inducement and importance of the outliers. We discover that $\boldsymbol \gamma$ in LayerNorm (LN) acts as a sinful amplifier for the outliers, and the importance of outliers varies greatly where some outliers provided by a few tokens cover a large area but can be clipped sharply without negative impacts. Motivated by these findings, we propose an outlier suppression framework including two components: Gamma Migration and Token-Wise Clipping. The Gamma Migration migrates the outlier amplifier to subsequent modules in an equivalent transformation, contributing to a more quantization-friendly model without any extra burden. The Token-Wise Clipping takes advantage of the large variance of token range and designs a token-wise coarse-to-fine pipeline, obtaining a clipping range with minimal final quantization loss in an efficient way. This framework effectively suppresses the outliers and can be used in a plug-and-play mode. Extensive experiments prove that our framework surpasses the existing works and, for the first time, pushes the 6-bit post-training BERT quantization to the full-precision (FP) level. Our code is available at https://github.com/wimh966/outlier_suppression.

We aim for source-free domain adaptation, where the task is to deploy a model pre-trained on source domains to target domains. The challenges stem from the distribution shift from the source to the target domain, coupled with the unavailability of any source data and labeled target data for optimization. Rather than fine-tuning the model by updating the parameters, we propose to perturb the source model to achieve adaptation to target domains. We introduce perturbations into the model parameters by variational Bayesian inference in a probabilistic framework. By doing so, we can effectively adapt the model to the target domain while largely preserving the discriminative ability. Importantly, we demonstrate the theoretical connection to learning Bayesian neural networks, which proves the generalizability of the perturbed model to target domains. To enable more efficient optimization, we further employ a parameter sharing strategy, which substantially reduces the learnable parameters compared to a fully Bayesian neural network. Our model perturbation provides a new probabilistic way for domain adaptation which enables efficient adaptation to target domains while maximally preserving knowledge in source models. Experiments on several source-free benchmarks under three different evaluation settings verify the effectiveness of the proposed variational model perturbation for source-free domain adaptation.

A key goal of unsupervised learning is to go beyond density estimation and sample generation to reveal the structure inherent within observed data. Such structure can be expressed in the pattern of interactions between explanatory latent variables captured through a probabilistic graphical model. Although the learning of structured graphical models has a long history, much recent work in unsupervised modelling has instead emphasised flexible deep-network-based generation, either transforming independent latent generators to model complex data or assuming that distinct observed variables are derived from different latent nodes. Here, we extend amortised variational inference to incorporate structured factors over multiple variables, able to capture the observation-induced posterior dependence between latents that results from “explaining away” and thus allow complex observations to depend on multiple nodes of a structured graph. We show that appropriately parametrised factors can be combined efficiently with variational message passing in rich graphical structures. We instantiate the framework in nonlinear Gaussian Process Factor Analysis, evaluating the structured recognition framework using synthetic data from known generative processes. We fit the GPFA model to high-dimensional neural spike data from the hippocampus of freely moving rodents, where the model successfully identifies latent signals that correlate with behavioural covariates.

Dense video understanding requires answering several questions such as who is doing what to whom, with what, how, why, and where. Recently, Video Situation Recognition (VidSitu) is framed as a task for structured prediction of multiple events, their relationships, and actions and various verb-role pairs attached to descriptive entities. This task poses several challenges in identifying, disambiguating, and co-referencing entities across multiple verb-role pairs, but also faces some challenges of evaluation. In this work, we propose the addition of spatio-temporal grounding as an essential component of the structured prediction task in a weakly supervised setting, and present a novel three stage Transformer model, VideoWhisperer, that is empowered to make joint predictions. In stage one, we learn contextualised embeddings for video features in parallel with key objects that appear in the video clips to enable fine-grained spatio-temporal reasoning. The second stage sees verb-role queries attend and pool information from object embeddings, localising answers to questions posed about the action. The final stage generates these answers as captions to describe each verb-role pair present in the video. Our model operates on a group of events (clips) simultaneously and predicts verbs, verb-role pairs, their nouns, and their grounding on-the-fly. When evaluated on a grounding-augmented version of the VidSitu dataset, we observe a large improvement in entity captioning accuracy, as well as the ability to localize verb-roles without grounding annotations at training time.

Bipartite graphs can be used to model a wide variety of dyadic information such as user-rating, document-term, and gene-disorder pairs. Biclustering is an extension of clustering to the underlying bipartite graph induced from this kind of data. In this paper, we leverage optimal transport (OT) which has gained momentum in the machine learning community to propose a novel and scalable biclustering model that generalizes several classical biclustering approaches. We perform extensive experimentation to show the validity of our approach compared to other OT biclustering algorithms along both dimensions of the dyadic datasets.

There are already some text-based visual question answering (TextVQA) benchmarks for developing machine's ability to answer questions based on texts in images in recent years. However, models developed on these benchmarks cannot work effectively in many real-life scenarios (e.g. traffic monitoring, shopping ads and e-learning videos) where temporal reasoning ability is required. To this end, we propose a new task named Video Text Visual Question Answering (ViteVQA in short) that aims at answering questions by reasoning texts and visual information spatiotemporally in a given video. In particular, on the one hand, we build the first ViteVQA benchmark dataset named M4-ViteVQA --- the abbreviation of Multi-category Multi-frame Multi-resolution Multi-modal benchmark for ViteVQA, which contains 7,620 video clips of 9 categories (i.e., shopping, traveling, driving, vlog, sport, advertisement, movie, game and talking) and 3 kinds of resolutions (i.e., 720p, 1080p and 1176x664), and 25,123 question-answer pairs. On the other hand, we develop a baseline method named T5-ViteVQA for the ViteVQA task. T5-ViteVQA consists of five transformers. It first extracts optical character recognition (OCR) tokens, question features, and video representations via two OCR transformers, one language transformer and one video-language transformer, respectively. Then, a multimodal fusion transformer and an answer generation module are applied to fuse multimodal information and generate the final prediction. Extensive experiments on M4-ViteVQA demonstrate the superiority of T5-ViteVQA to the existing approaches of TextVQA and VQA tasks. The ViteVQA benchmark is available in https://github.com/bytedance/VTVQA.

The Past Extragradient (PEG) [Popov, 1980] method, also known as the Optimistic Gradient method, has known a recent gain in interest in the optimization community with the emergence of variational inequality formulations for machine learning. Recently, in the unconstrained case, Golowich et al. [2020] proved that a $O(1/N)$ last-iterate convergence rate in terms of the squared norm of the operator can be achieved for Lipschitz and monotone operators with a Lipchitz Jacobian. In this work, by introducing a novel analysis through potential functions, we show that (i) this $O(1/N)$ last-iterate convergence can be achieved without any assumption on the Jacobian of the operator, and (ii) it can be extended to the constrained case, which was not derived before even under Lipschitzness of the Jacobian. The proof is significantly different from the one known from Golowich et al. [2020], and its discovery was computer-aided. Those results close the open question of the last iterate convergence of PEG for monotone variational inequalities.

The backdoor or Trojan attack is a severe threat to deep neural networks (DNNs). Researchers find that DNNs trained on benign data and settings can also learn backdoor behaviors, which is known as the natural backdoor. Existing works on anti-backdoor learning are based on weak observations that the backdoor and benign behaviors can differentiate during training. An adaptive attack with slow poisoning can bypass such defenses. Moreover, these methods cannot defend natural backdoors. We found the fundamental differences between backdoor-related neurons and benign neurons: backdoor-related neurons form a hyperplane as the classification surface across input domains of all affected labels. By further analyzing the training process and model architectures, we found that piece-wise linear functions cause this hyperplane surface. In this paper, we design a novel training method that forces the training to avoid generating such hyperplanes and thus remove the injected backdoors. Our extensive experiments on five datasets against five state-of-the-art attacks and also benign training show that our method can outperform existing state-of-the-art defenses. On average, the ASR (attack success rate) of the models trained with NONE is 54.83 times lower than undefended models under standard poisoning backdoor attack and 1.75 times lower under the natural backdoor attack. Our code is available at https://github.com/RU-System-Software-and-Security/NONE.

Infinite width limit has shed light on generalization and optimization aspects of deep learning by establishing connections between neural networks and kernel methods. Despite their importance, the utility of these kernel methods was limited in large-scale learning settings due to their (super-)quadratic runtime and memory complexities. Moreover, most prior works on neural kernels have focused on the ReLU activation, mainly due to its popularity but also due to the difficulty of computing such kernels for general activations. In this work, we overcome such difficulties by providing methods to work with general activations. First, we compile and expand the list of activation functions admitting exact dual activation expressions to compute neural kernels. When the exact computation is unknown, we present methods to effectively approximate them. We propose a fast sketching method that approximates any multi-layered Neural Network Gaussian Process (NNGP) kernel and Neural Tangent Kernel (NTK) matrices for a wide range of activation functions, going beyond the commonly analyzed ReLU activation. This is done by showing how to approximate the neural kernels using the truncated Hermite expansion of any desired activation functions. While most prior works require data points on the unit sphere, our methods do not suffer from such limitations and are applicable to any dataset of points in $\mathbb{R}^d$. Furthermore, we provide a subspace embedding for NNGP and NTK matrices with near input-sparsity runtime and near-optimal target dimension which applies to any \emph{homogeneous} dual activation functions with rapidly convergent Taylor expansion. Empirically, with respect to exact convolutional NTK (CNTK) computation, our method achieves $106\times$ speedup for approximate CNTK of a 5-layer Myrtle network on CIFAR-10 dataset.

During training, models can exploit spurious correlations as shortcuts, resulting in poor generalization performance when shortcuts do not persist. In this work, assuming access to a representation based on domain knowledge (i.e., known concepts) that is invariant to shortcuts, we aim to learn robust and accurate models from biased training data. In contrast to previous work, we do not rely solely on known concepts, but allow the model to also learn unknown concepts. We propose two approaches for mitigating shortcuts that incorporate domain knowledge, while accounting for potentially important yet unknown concepts. The first approach is two-staged. After fitting a model using known concepts, it accounts for the residual using unknown concepts. While flexible, we show that this approach is vulnerable when shortcuts are correlated with the unknown concepts. This limitation is addressed by our second approach that extends a recently proposed regularization penalty. Applied to two real-world datasets, we demonstrate that both approaches can successfully mitigate shortcut learning.

Researchers investigating example hardness have increasingly focused on the dynamics by which neural networks learn and forget examples throughout training. Popular metrics derived from these dynamics include (i) the epoch at which examples are first correctly classified; (ii) the number of times their predictions flip during training; and (iii) whether their prediction flips if they are held out. However, these metrics do not distinguish among examples that are hard for distinct reasons, such as membership in a rare subpopulation, being mislabeled, or belonging to a complex subpopulation. In this paper, we propose *second-split forgetting time* (SSFT), a complementary metric that tracks the epoch (if any) after which an original training example is forgotten as the network is fine-tuned on a randomly held out partition of the data. Across multiple benchmark datasets and modalities, we demonstrate that *mislabeled* examples are forgotten quickly, and seemingly *rare* examples are forgotten comparatively slowly. By contrast, metrics only considering the first split learning dynamics struggle to differentiate the two. At large learning rates, SSFT tends to be robust across architectures, optimizers, and random seeds. From a practical standpoint, the SSFT can (i) help to identify mislabeled samples, the removal of which improves generalization; and (ii) provide insights about failure modes. Through theoretical analysis addressing overparameterized linear models, we provide insights into how the observed phenomena may arise.

Data augmentation is a critical contributing factor to the success of deep learning but heavily relies on prior domain knowledge which is not always available. Recent works on automatic data augmentation learn a policy to form a sequence of augmentation operations, which are still pre-defined and restricted to limited options. In this paper, we show that a prior-free autonomous data augmentation's objective can be derived from a representation learning principle that aims to preserve the minimum sufficient information of the labels. Given an example, the objective aims at creating a distant ``hard positive example'' as the augmentation, while still preserving the original label. We then propose a practical surrogate to the objective that can be optimized efficiently and integrated seamlessly into existing methods for a broad class of machine learning tasks, e.g., supervised, semi-supervised, and noisy-label learning. Unlike previous works, our method does not require training an extra generative model but instead leverages the intermediate layer representations of the end-task model for generating data augmentations. In experiments, we show that our method consistently brings non-trivial improvements to the three aforementioned learning tasks from both efficiency and final performance, either or not combined with pre-defined augmentations, e.g., on medical images when domain knowledge is unavailable and the existing augmentation techniques perform poorly. Code will be released publicly.

In safety-critical applications of reinforcement learning such as healthcare and robotics, it is often desirable to optimize risk-sensitive objectives that account for tail outcomes rather than expected reward. We prove the first regret bounds for reinforcement learning under a general class of risk-sensitive objectives including the popular CVaR objective. Our theory is based on a novel characterization of the CVaR objective as well as a novel optimistic MDP construction.

State space models (SSM) have recently been shown to be very effective as a deep learning layer as a promising alternative to sequence models such as RNNs, CNNs, or Transformers. The first version to show this potential was the S4 model, which is particularly effective on tasks involving long-range dependencies by using a prescribed state matrix called the HiPPO matrix. While this has an interpretable mathematical mechanism for modeling long dependencies, it also requires a custom representation and algorithm that makes the model difficult to understand and implement. On the other hand, a recent variant of S4 called DSS showed that restricting the state matrix to be fully diagonal can still preserve the performance of the original model when using a specific initialization based on approximating S4's matrix. This work seeks to systematically understand how to parameterize and initialize diagonal state space models. While it follows from classical results that almost all SSMs have an equivalent diagonal form, we show that the initialization is critical for performance. First, we explain why DSS works mathematically, as the diagonal approximation to S4 surprisingly recovers the same dynamics in the limit of infinite state dimension. We then systematically describe various design choices in parameterizing and computing diagonal SSMs, and perform a controlled empirical study ablating the effects of these choices. Our final model S4D is a simple diagonal version of S4 whose kernel computation requires just 3 lines of code and performs comparably to S4 in almost all settings, with state-of-the-art results in image, audio, and medical time-series domains, and 85\% average on the Long Range Arena benchmark.