NeurIPS 2023 论文列表

Randomized smoothing is a leading approach for constructing classifiers that are certifiably robust against adversarial examples. Existing work on randomized smoothing has focused on classifiers with continuous inputs, such as images, where $\ell_p$-norm bounded adversaries are commonly studied. However, there has been limited work for classifiers with discrete or variable-size inputs, such as for source code, which require different threat models and smoothing mechanisms. In this work, we adapt randomized smoothing for discrete sequence classifiers to provide certified robustness against edit distance-bounded adversaries. Our proposed smoothing mechanism randomized deletion (RS-Del) applies random deletion edits, which are (perhaps surprisingly) sufficient to confer robustness against adversarial deletion, insertion and substitution edits. Our proof of certification deviates from the established Neyman-Pearson approach, which is intractable in our setting, and is instead organized around longest common subsequences. We present a case study on malware detection—a binary classification problem on byte sequences where classifier evasion is a well-established threat model. When applied to the popular MalConv malware detection model, our smoothing mechanism RS-Del achieves a certified accuracy of 91% at an edit distance radius of 128 bytes.

Constructing a directed cyclic graph (DCG) is challenged by both algorithmic difficulty and computational burden. Comparing multiple DCGs is even more difficult, compounded by the need to identify dynamic causalities across graphs. We propose to unify multiple DCGs with a single structural model and develop a limited-information-based method to simultaneously construct multiple networks and infer their disparities, which can be visualized by appropriate correspondence analysis. The algorithm provides DCGs with robust non-asymptotic theoretical properties. It is designed with two sequential stages, each of which involves parallel computation tasks that are scalable to the network complexity. Taking advantage of high-performance clusters, our method makes it possible to evaluate the statistical significance of DCGs using the bootstrap method. We demonstrated the effectiveness of our method by applying it to synthetic and real datasets.

We present Consistent Assignment of Views over Random Partitions (CARP), a self-supervised clustering method for representation learning of visual features. CARP learns prototypes in an end-to-end online fashion using gradient descent without additional non-differentiable modules to solve the cluster assignment problem. CARP optimizes a new pretext task based on random partitions of prototypes that regularizes the model and enforces consistency between views' assignments. Additionally, our method improves training stability and prevents collapsed solutions in joint-embedding training. Through an extensive evaluation, we demonstrate that CARP's representations are suitable for learning downstream tasks. We evaluate CARP's representations capabilities in 17 datasets across many standard protocols, including linear evaluation, few-shot classification, $k$-NN, $k$-means, image retrieval, and copy detection. We compare CARP performance to 11 existing self-supervised methods. We extensively ablate our method and demonstrate that our proposed random partition pretext task improves the quality of the learned representations by devising multiple random classification tasks. In transfer learning tasks, CARP achieves the best performance on average against many SSL methods trained for a longer time.

Reconstructing the 3D articulated shape of an animal from a single in-the-wild image is a challenging task. We propose LEPARD, a learning-based framework that discovers semantically meaningful 3D parts and reconstructs 3D shapes in a part-based manner. This is advantageous as 3D parts are robust to pose variations due to articulations and their shape is typically simpler than the overall shape of the object. In our framework, the parts are explicitly represented as parameterized primitive surfaces with global and local deformations in 3D that deform to match the image evidence. We propose a kinematics-inspired optimization to guide each transformation of the primitive deformation given 2D evidence. Similar to recent approaches, LEPARD is only trained using off-the-shelf deep features from DINO and does not require any form of 2D or 3D annotations. Experiments on 3D animal shape reconstruction, demonstrate significant improvement over existing alternatives in terms of both the overall reconstruction performance as well as the ability to discover semantically meaningful and consistent parts.

Training large-scale neural networks is heavily constrained by GPU memory. In order to circumvent this limitation, gradient checkpointing, or recomputation is a powerful technique. There is active research in this area with methods such as Checkmake or Moccasin. However, both Checkmate and Moccasin rely on mixed integer linear programming or constraint programming, resulting in limited scalability due to their exponentially large search space. This paper proposes a novel algorithm for recomputation (FastSA) based on a simulated annealing heuristic that achieves comparable or even better solutions than state-of-the-art alternatives. FastSA can optimize computational graphs with thousands of nodes within 3 to 30 seconds, several orders of magnitude faster than current solutions. We applied FastSA to PyTorch models and verified its effectiveness through popular large vision and text models, including recent language models with the transformer architecture. The results demonstrate significant memory reductions by 73% with extra 18% computational overheads on average. Our experiments demonstrate the practicality and effectiveness of our recomputation algorithm, further highlighting its potential for wide application in various deep learning domains.

Existing full text datasets of U.S. public domain newspapers do not recognize the often complex layouts of newspaper scans, and as a result the digitized content scrambles texts from articles, headlines, captions, advertisements, and other layout regions. OCR quality can also be low. This study develops a novel, deep learning pipeline for extracting full article texts from newspaper images and applies it to the nearly 20 million scans in Library of Congress's public domain Chronicling America collection. The pipeline includes layout detection, legibility classification, custom OCR, and association of article texts spanning multiple bounding boxes. To achieve high scalability, it is built with efficient architectures designed for mobile phones. The resulting American Stories dataset provides high quality data that could be used for pre-training a large language model to achieve better understanding of historical English and historical world knowledge. The dataset could also be added to the external database of a retrieval-augmented language model to make historical information - ranging from interpretations of political events to minutiae about the lives of people's ancestors - more widely accessible. Furthermore, structured article texts facilitate using transformer-based methods for popular social science applications like topic classification, detection of reproduced content, and news story clustering. Finally, American Stories provides a massive silver quality dataset for innovating multimodal layout analysis models and other multimodal applications.

Intelligent agents use internal world models to reason and make predictions about different courses of their actions at many scales. Devising learning paradigms and architectures that allow machines to learn world models that operate at multiple levels of temporal abstractions while dealing with complex uncertainty predictions is a major technical hurdle. In this work, we propose a probabilistic formalism to learn multi-time scale world models which we call the Multi Time Scale State Space (MTS3) model. Our model uses a computationally efficient inference scheme on multiple time scales for highly accurate long-horizon predictions and uncertainty estimates over several seconds into the future. Our experiments, which focus on action conditional long horizon future predictions, show that MTS3 outperforms recent methods on several system identification benchmarks including complex simulated and real-world dynamical systems. Code is available at this repository: https://github.com/ALRhub/MTS3.

We propose a general class of sample based explanations of machine learning models, which we term generalized representers. To measure the effect of a training sample on a model's test prediction, generalized representers use two components: a global sample importance that quantifies the importance of the training point to the model and is invariant to test samples, and a local sample importance that measures similarity between the training sample and the test point with a kernel. A key contribution of the paper is to show that generalized representers are the only class of sample based explanations satisfying a natural set of axiomatic properties. We discuss approaches to extract global importances given a kernel, and also natural choices of kernels given modern non-linear models. As we show, many popular existing sample based explanations could be cast as generalized representers with particular choices of kernels and approaches to extract global importances. Additionally, we conduct empirical comparisons of different generalized representers on two image classification datasets.

Masked graph modeling excels in the self-supervised representation learning of molecular graphs. Scrutinizing previous studies, we can reveal a common scheme consisting of three key components: (1) graph tokenizer, which breaks a molecular graph into smaller fragments (\ie subgraphs) and converts them into tokens; (2) graph masking, which corrupts the graph with masks; (3) graph autoencoder, which first applies an encoder on the masked graph to generate the representations, and then employs a decoder on the representations to recover the tokens of the original graph. However, the previous MGM studies focus extensively on graph masking and encoder, while there is limited understanding of tokenizer and decoder. To bridge the gap, we first summarize popular molecule tokenizers at the granularity of node, edge, motif, and Graph Neural Networks (GNNs), and then examine their roles as the MGM's reconstruction targets. Further, we explore the potential of adopting an expressive decoder in MGM. Our results show that a subgraph-level tokenizer and a sufficiently expressive decoder with remask decoding have a \yuan{large impact on the encoder's representation learning}. Finally, we propose a novel MGM method SimSGT, featuring a Simple GNN-based Tokenizer (SGT) and an effective decoding strategy. We empirically validate that our method outperforms the existing molecule self-supervised learning methods. Our codes and checkpoints are available at https://github.com/syr-cn/SimSGT.

Domain adaptive object detection (DAOD) aims to generalize detectors trained on an annotated source domain to an unlabelled target domain. However, existing methods focus on reducing the domain bias of the detection backbone by inferring a discriminative visual encoder, while ignoring the domain bias in the detection head. Inspired by the high generalization of vision-language models (VLMs), applying a VLM as the robust detection backbone following a domain-aware detection head is a reasonable way to learn the discriminative detector for each domain, rather than reducing the domain bias in traditional methods. To achieve the above issue, we thus propose a novel DAOD framework named Domain-Aware detection head with Prompt tuning (DA-Pro), which applies the learnable domain-adaptive prompt to generate the dynamic detection head for each domain. Formally, the domain-adaptive prompt consists of the domain-invariant tokens, domain-specific tokens, and the domain-related textual description along with the class label. Furthermore, two constraints between the source and target domains are applied to ensure that the domain-adaptive prompt can capture the domains-shared and domain-specific knowledge. A prompt ensemble strategy is also proposed to reduce the effect of prompt disturbance. Comprehensive experiments over multiple cross-domain adaptation tasks demonstrate that using the domain-adaptive prompt can produce an effectively domain-related detection head for boosting domain-adaptive object detection. Our code is available at https://github.com/Therock90421/DA-Pro.

The classical analysis of Stochastic Gradient Descent (SGD) with polynomially decaying stepsize $\eta_t = \eta/\sqrt{t}$ relies on well-tuned $\eta$ depending on problem parameters such as Lipschitz smoothness constant, which is often unknown in practice. In this work, we prove that SGD with arbitrary $\eta > 0$, referred to as untuned SGD, still attains an order-optimal convergence rate $\widetilde{\mathcal{O}}(T^{-1/4})$ in terms of gradient norm for minimizing smooth objectives. Unfortunately, it comes at the expense of a catastrophic exponential dependence on the smoothness constant, which we show is unavoidable for this scheme even in the noiseless setting. We then examine three families of adaptive methods — Normalized SGD (NSGD), AMSGrad, and AdaGrad — unveiling their power in preventing such exponential dependency in the absence of information about the smoothness parameter and boundedness of stochastic gradients. Our results provide theoretical justification for the advantage of adaptive methods over untuned SGD in alleviating the issue with large gradients.

We study Proportional Response Dynamics (PRD) in linear Fisher markets, where participants act asynchronously. We model this scenario as a sequential process in which at each step, an adversary selects a subset of the players to update their bids, subject to liveness constraints. We show that if every bidder individually applies the PRD update rule whenever they are included in the group of bidders selected by the adversary, then, in the generic case, the entire dynamic converges to a competitive equilibrium of the market. Our proof technique reveals additional properties of linear Fisher markets, such as the uniqueness of the market equilibrium for generic parameters and the convergence of associated no swap regret dynamics and best response dynamics under certain conditions.

Graph Neural Networks (GNNs) have achieved great success in representing data with dependencies by recursively propagating and aggregating messages along the edges. However, edges in real-world graphs often have varying degrees of difficulty, and some edges may even be noisy to the downstream tasks. Therefore, existing GNNs may lead to suboptimal learned representations because they usually treat every edge in the graph equally. On the other hand, Curriculum Learning (CL), which mimics the human learning principle of learning data samples in a meaningful order, has been shown to be effective in improving the generalization ability and robustness of representation learners by gradually proceeding from easy to more difficult samples during training. Unfortunately, existing CL strategies are designed for independent data samples and cannot trivially generalize to handle data dependencies. To address these issues, we propose a novel CL strategy to gradually incorporate more edges into training according to their difficulty from easy to hard, where the degree of difficulty is measured by how well the edges are expected given the model training status. We demonstrate the strength of our proposed method in improving the generalization ability and robustness of learned representations through extensive experiments on nine synthetic datasets and nine real-world datasets. The code for our proposed method is available at https://github.com/rollingstonezz/Curriculum_learning_for_GNNs

One of the central questions in the theory of deep learning is to understand how neural networks learn hierarchical features. The ability of deep networks to extract salient features is crucial to both their outstanding generalization ability and the modern deep learning paradigm of pretraining and finetuneing. However, this feature learning process remains poorly understood from a theoretical perspective, with existing analyses largely restricted to two-layer networks. In this work we show that three-layer neural networks have provably richer feature learning capabilities than two-layer networks. We analyze the features learned by a three-layer network trained with layer-wise gradient descent, and present a general purpose theorem which upper bounds the sample complexity and width needed to achieve low test error when the target has specific hierarchical structure. We instantiate our framework in specific statistical learning settings -- single-index models and functions of quadratic features -- and show that in the latter setting three-layer networks obtain a sample complexity improvement over all existing guarantees for two-layer networks. Crucially, this sample complexity improvement relies on the ability of three-layer networks to efficiently learn *nonlinear* features. We then establish a concrete optimization-based depth separation by constructing a function which is efficiently learnable via gradient descent on a three-layer network, yet cannot be learned efficiently by a two-layer network. Our work makes progress towards understanding the provable benefit of three-layer neural networks over two-layer networks in the feature learning regime.

Enabling machine learning classifiers to defer their decision to a downstream expert when the expert is more accurate will ensure improved safety and performance. This objective can be achieved with the learning-to-defer framework which aims to jointly learn how to classify and how to defer to the expert. In recent studies, it has been theoretically shown that popular estimators for learning to defer parameterized with softmax provide unbounded estimates for the likelihood of deferring which makes them uncalibrated. However, it remains unknown whether this is due to the widely used softmax parameterization and if we can find a softmax-based estimator that is both statistically consistent and possesses a valid probability estimator. In this work, we first show that the cause of the miscalibrated and unbounded estimator in prior literature is due to the symmetric nature of the surrogate losses used and not due to softmax. We then propose a novel statistically consistent asymmetric softmax-based surrogate loss that can produce valid estimates without the issue of unboundedness. We further analyze the non-asymptotic properties of our proposed method and empirically validate its performance and calibration on benchmark datasets.

New NLP benchmarks are urgently needed to align with the rapid development of large language models (LLMs). We present C-Eval, the first comprehensive Chinese evaluation suite designed to assess advanced knowledge and reasoning abilities of foundation models in a Chinese context. C-Eval comprises multiple-choice questions across four difficulty levels: middle school, high school, college, and professional. The questions span 52 diverse disciplines, ranging from humanities to science and engineering. C-Eval is accompanied by C-Eval Hard, a subset of very challenging subjects in C-Eval that requires advanced reasoning abilities to solve. We conduct a comprehensive evaluation of the most advanced LLMs on C-Eval, including both English- and Chinese-oriented models. Results indicate that only GPT-4 could achieve an average accuracy of over 60%, suggesting that there is still significant room for improvement for current LLMs. We anticipate C-Eval will help analyze important strengths and shortcomings of foundation models, and foster their development and growth for Chinese users.

Existing datasets for automated fact-checking have substantial limitations, such as relying on artificial claims, lacking annotations for evidence and intermediate reasoning, or including evidence published after the claim. In this paper we introduce AVeriTeC, a new dataset of 4,568 real-world claims covering fact-checks by 50 different organizations. Each claim is annotated with question-answer pairs supported by evidence available online, as well as textual justifications explaining how the evidence combines to produce a verdict. Through a multi-round annotation process, we avoid common pitfalls including context dependence, evidence insufficiency, and temporal leakage, and reach a substantial inter-annotator agreement of $\kappa=0.619$ on verdicts. We develop a baseline as well as an evaluation scheme for verifying claims through question-answering against the open web.

We analyze the dynamics of finite width effects in wide but finite feature learning neural networks. Starting from a dynamical mean field theory description of infinite width deep neural network kernel and prediction dynamics, we provide a characterization of the $\mathcal{O}(1/\sqrt{\text{width}})$ fluctuations of the DMFT order parameters over random initializations of the network weights. Our results, while perturbative in width, unlike prior analyses, are non-perturbative in the strength of feature learning. In the lazy limit of network training, all kernels are random but static in time and the prediction variance has a universal form. However, in the rich, feature learning regime, the fluctuations of the kernels and predictions are dynamically coupled with a variance that can be computed self-consistently. In two layer networks, we show how feature learning can dynamically reduce the variance of the final tangent kernel and final network predictions. We also show how initialization variance can slow down online learning in wide but finite networks. In deeper networks, kernel variance can dramatically accumulate through subsequent layers at large feature learning strengths, but feature learning continues to improve the signal-to-noise ratio of the feature kernels. In discrete time, we demonstrate that large learning rate phenomena such as edge of stability effects can be well captured by infinite width dynamics and that initialization variance can decrease dynamically. For CNNs trained on CIFAR-10, we empirically find significant corrections to both the bias and variance of network dynamics due to finite width.

Recent advances in constrained reinforcement learning (RL) have endowed reinforcement learning with certain safety guarantees. However, deploying existing constrained RL algorithms in continuous control tasks with general hard constraints remains challenging, particularly in those situations with non-convex hard constraints. Inspired by the generalized reduced gradient (GRG) algorithm, a classical constrained optimization technique, we propose a reduced policy optimization (RPO) algorithm that combines RL with GRG to address general hard constraints. RPO partitions actions into basic actions and nonbasic actions following the GRG method and outputs the basic actions via a policy network. Subsequently, RPO calculates the nonbasic actions by solving equations based on equality constraints using the obtained basic actions. The policy network is then updated by implicitly differentiating nonbasic actions with respect to basic actions. Additionally, we introduce an action projection procedure based on the reduced gradient and apply a modified Lagrangian relaxation technique to ensure inequality constraints are satisfied. To the best of our knowledge, RPO is the first attempt that introduces GRG to RL as a way of efficiently handling both equality and inequality hard constraints. It is worth noting that there is currently a lack of RL environments with complex hard constraints, which motivates us to develop three new benchmarks: two robotics manipulation tasks and a smart grid operation control task. With these benchmarks, RPO achieves better performance than previous constrained RL algorithms in terms of both cumulative reward and constraint violation. We believe RPO, along with the new benchmarks, will open up new opportunities for applying RL to real-world problems with complex constraints.