NeurIPS 2023 Papers

Graph Contrastive Learning (GCL) has shown superior performance in representation learning in graph-structured data. Despite their success, most existing GCL methods rely on prefabricated graph augmentation and homophily assumptions. Thus, they fail to generalize well to heterophilic graphs where connected nodes may have different class labels and dissimilar features. In this paper, we study the problem of conducting contrastive learning on homophilic and heterophilic graphs. We find that we can achieve promising performance simply by considering an asymmetric view of the neighboring nodes. The resulting simple algorithm, Asymmetric Contrastive Learning for Graphs (GraphACL), is easy to implement and does not rely on graph augmentations and homophily assumptions. We provide theoretical and empirical evidence that GraphACL can capture one-hop local neighborhood information and two-hop monophily similarity, which are both important for modeling heterophilic graphs. Experimental results show that the simple GraphACL significantly outperforms state-of-the-art graph contrastive learning and self-supervised learning methods on homophilic and heterophilic graphs. The code of GraphACL is available at https://github.com/tengxiao1/GraphACL.

We investigate a novel safe reinforcement learning problem with step-wise violation constraints. Our problem differs from existing works in that we focus on stricter step-wise violation constraints and do not assume the existence of safe actions, making our formulation more suitable for safety-critical applications that need to ensure safety in all decision steps but may not always possess safe actions, e.g., robot control and autonomous driving. We propose an efficient algorithm SUCBVI, which guarantees $\widetilde{\mathcal{O}}(\sqrt{ST})$ or gap-dependent $\widetilde{\mathcal{O}}(S/\mathcal{C}_{\mathrm{gap}} + S^2AH^2)$ step-wise violation and $\widetilde{\mathcal{O}}(\sqrt{H^3SAT})$ regret. Lower bounds are provided to validate the optimality in both violation and regret performance with respect to the number of states $S$ and the total number of steps $T$. Moreover, we further study an innovative safe reward-free exploration problem with step-wise violation constraints. For this problem, we design algorithm SRF-UCRL to find a near-optimal safe policy, which achieves nearly state-of-the-art sample complexity $\widetilde{\mathcal{O}}((\frac{S^2AH^2}{\varepsilon}+\frac{H^4SA}{\varepsilon^2})(\log(\frac{1}{\delta})+S))$, and guarantees $\widetilde{\mathcal{O}}(\sqrt{ST})$ violation during exploration. Experimental results demonstrate the superiority of our algorithms in safety performance and corroborate our theoretical results.

Transformer-based language models have found many diverse applications requiring them to process sequences of increasing length. For these applications, the causal self-attention---which is the only component scaling quadratically w.r.t. the sequence length---becomes a central concern. While many works have proposed schemes to sparsify the attention patterns and reduce the computational overhead of self-attention, those are often limited by implementation concerns and end up imposing a simple and static structure over the attention matrix. Conversely, implementing more dynamic sparse attention often results in runtimes significantly slower than computing the full attention using the Flash implementation from Dao et al. (2022). We extend FlashAttention to accommodate a large class of attention sparsity patterns that, in particular, encompass key/query dropping and hashing-based attention. This leads to implementations with no computational complexity overhead and a multi-fold runtime speedup on top of FlashAttention. Even with relatively low degrees of sparsity, our method improves visibly upon FlashAttention as the sequence length increases. Without sacrificing perplexity, we increase the training speed of a transformer language model by $2.0\times$ and $3.3\times$ for sequences of respectively $8k$ and $16k$ tokens.

Machine learning models are famously vulnerable to adversarial attacks: small ad-hoc perturbations of the data that can catastrophically alter the model predictions. While a large literature has studied the case of test-time attacks on pre-trained models, the important case of attacks in an online learning setting has received little attention so far. In this work, we use a control-theoretical perspective to study the scenario where an attacker may perturb data labels to manipulate the learning dynamics of an online learner. We perform a theoretical analysis of the problem in a teacher-student setup, considering different attack strategies, and obtaining analytical results for the steady state of simple linear learners. These results enable us to prove that a discontinuous transition in the learner's accuracy occurs when the attack strength exceeds a critical threshold. We then study empirically attacks on learners with complex architectures using real data, confirming the insights of our theoretical analysis. Our findings show that greedy attacks can be extremely efficient, especially when data stream in small batches.

Collaborative perception can substantially boost each agent's perception ability by facilitating communication among multiple agents. However, temporal asynchrony among agents is inevitable in the real world due to communication delays, interruptions, and clock misalignments. This issue causes information mismatch during multi-agent fusion, seriously shaking the foundation of collaboration. To address this issue, we propose CoBEVFlow, an asynchrony-robust collaborative perception system based on bird's eye view (BEV) flow. The key intuition of CoBEVFlow is to compensate motions to align asynchronous collaboration messages sent by multiple agents. To model the motion in a scene, we propose BEV flow, which is a collection of the motion vector corresponding to each spatial location. Based on BEV flow, asynchronous perceptual features can be reassigned to appropriate positions, mitigating the impact of asynchrony. CoBEVFlow has two advantages: (i) CoBEVFlow can handle asynchronous collaboration messages sent at irregular, continuous time stamps without discretization; and (ii) with BEV flow, CoBEVFlow only transports the original perceptual features, instead of generating new perceptual features, avoiding additional noises. To validate CoBEVFlow's efficacy, we create IRregular V2V(IRV2V), the first synthetic collaborative perception dataset with various temporal asynchronies that simulate different real-world scenarios. Extensive experiments conducted on both IRV2V and the real-world dataset DAIR-V2X show that CoBEVFlow consistently outperforms other baselines and is robust in extremely asynchronous settings. The code is available at https://github.com/MediaBrain-SJTU/CoBEVFlow.

In this work, we present SEEM, a promotable and interactive model for segmenting everything everywhere all at once in an image. In SEEM, we propose a novel and versatile decoding mechanism that enables diverse prompting for all types of segmentation tasks, aiming at a universal interface that behaves like large language models (LLMs). More specifically, SEEM is designed with four desiderata: i) Versatility. We introduce a new visual prompt to unify different spatial queries including points, boxes, scribbles, and masks, which can further generalize to a different referring image; ii) Compositionality. We learn a joint visual-semantic space between text and visual prompts, which facilitates the dynamic composition of two prompt types required for various segmentation tasks, as shown in Fig. 1; iii) Interactivity. We further incorporate learnable memory prompts into the decoder to retain segmentation history through mask-guided cross-attention from the decoder to image features; iv) Semantic awareness. We use a text encoder to encode text queries and mask labels into the same semantic space for open-vocabulary segmentation. We conduct a comprehensive empirical study to validate the effectiveness of SEEM across diverse segmentation tasks. The results demonstrate that SEEM exhibits robust generalizing to unseen user intents as it learns to compose prompts of different types in a unified representation space. Our approach achieves competitive performance on interactive segmentation, generic segmentation, referring segmentation, and video object segmentation on 9 datasets with minimum 1/100 supervision in a single set of weights.

Detecting anomalies in real-world multivariate time series data is challenging due to complex temporal dependencies and inter-variable correlations. Recently, reconstruction-based deep models have been widely used to solve the problem. However, these methods still suffer from an over-generalization issue and fail to deliver consistently high performance. To address this issue, we propose the MEMTO, a memory-guided Transformer using a reconstruction-based approach. It is designed to incorporate a novel memory module that can learn the degree to which each memory item should be updated in response to the input data. To stabilize the training procedure, we use a two-phase training paradigm which involves using K-means clustering for initializing memory items. Additionally, we introduce a bi-dimensional deviation-based detection criterion that calculates anomaly scores considering both input space and latent space. We evaluate our proposed method on five real-world datasets from diverse domains, and it achieves an average anomaly detection F1-score of 95.74%, significantly outperforming the previous state-of-the-art methods. We also conduct extensive experiments to empirically validate the effectiveness of our proposed model's key components.

This study focuses on the evaluation of the Open Question Answering (Open-QA) task, which can directly estimate the factuality of large language models (LLMs). Current automatic evaluation methods have shown limitations, indicating that human evaluation still remains the most reliable approach. We introduce a new task, QA Evaluation (QA-Eval) and the corresponding dataset EVOUNA, designed to assess the accuracy of AI-generated answers in relation to standard answers within Open-QA. Our evaluation of these methods utilizes human-annotated results to measure their performance. Specifically, the work investigates methods that show high correlation with human evaluations, deeming them more reliable. We also discuss the pitfalls of current methods and methods to improve LLM-based evaluators. We believe this new QA-Eval task and corresponding dataset EVOUNA will facilitate the development of more effective automatic evaluation tools and prove valuable for future research in this area. All resources are available at https://github.com/wangcunxiang/QA-Eval and it is under the Apache-2.0 License.

Pre-training on massive video datasets has become essential to achieve high action recognition performance on smaller downstream datasets. However, most large-scale video datasets contain images of people and hence are accompanied with issues related to privacy, ethics, and data protection, often preventing them from being publicly shared for reproducible research. Existing work has attempted to alleviate these problems by blurring faces, downsampling videos, or training on synthetic data. On the other hand, analysis on the {\em transferability} of privacy-preserving pre-trained models to downstream tasks has been limited. In this work, we study this problem by first asking the question: can we pre-train models for human action recognition with data that does not include real humans? To this end, we present, for the first time, a benchmark that leverages real-world videos with {\em humans removed} and synthetic data containing virtual humans to pre-train a model. We then evaluate the transferability of the representation learned on this data to a diverse set of downstream action recognition benchmarks. Furthermore, we propose a novel pre-training strategy, called Privacy-Preserving MAE-Align, to effectively combine synthetic data and human-removed real data. Our approach outperforms previous baselines by up to 5\% and closes the performance gap between human and no-human action recognition representations on downstream tasks, for both linear probing and fine-tuning. Our benchmark, code, and models are available at https://github.com/howardzh01/PPMA.

Kernel design is a pivotal but challenging aspect of time series analysis, especially in the context of small datasets. In recent years, Reservoir Computing (RC) has emerged as a powerful tool to compare time series based on the underlying dynamics of the generating process rather than the observed data. However, the performance of RC highly depends on the hyperparameter setting, which is hard to interpret and costly to optimize because of the recurrent nature of RC. Here, we present a new kernel for time series based on the recently established equivalence between reservoir dynamics and Nonlinear Vector AutoRegressive (NVAR) processes. The kernel is non-recurrent and depends on a small set of meaningful hyperparameters, for which we suggest an effective heuristic. We demonstrate excellent performance on a wide range of real-world classification tasks, both in terms of accuracy and speed. This further advances the understanding of RC representation learning models and extends the typical use of the NVAR framework to kernel design and representation of real-world time series data.

Recently, image-text matching has attracted more and more attention from academia and industry, which is fundamental to understanding the latent correspondence across visual and textual modalities. However, most existing methods implicitly assume the training pairs are well-aligned while ignoring the ubiquitous annotation noise, a.k.a noisy correspondence (NC), thereby inevitably leading to a performance drop. Although some methods attempt to address such noise, they still face two challenging problems: excessive memorizing/overfitting and unreliable correction for NC, especially under high noise. To address the two problems, we propose a generalized Cross-modal Robust Complementary Learning framework (CRCL), which benefits from a novel Active Complementary Loss (ACL) and an efficient Self-refining Correspondence Correction (SCC) to improve the robustness of existing methods. Specifically, ACL exploits active and complementary learning losses to reduce the risk of providing erroneous supervision, leading to theoretically and experimentally demonstrated robustness against NC. SCC utilizes multiple self-refining processes with momentum correction to enlarge the receptive field for correcting correspondences, thereby alleviating error accumulation and achieving accurate and stable corrections. We carry out extensive experiments on three image-text benchmarks, i.e., Flickr30K, MS-COCO, and CC152K, to verify the superior robustness of our CRCL against synthetic and real-world noisy correspondences.

The existing graph neural architecture search (GNAS) methods heavily rely on supervised labels during the search process, failing to handle ubiquitous scenarios where supervisions are not available. In this paper, we study the problem of unsupervised graph neural architecture search, which remains unexplored in the literature. The key problem is to discover the latent graph factors that drive the formation of graph data as well as the underlying relations between the factors and the optimal neural architectures. Handling this problem is challenging given that the latent graph factors together with architectures are highly entangled due to the nature of the graph and the complexity of the neural architecture search process. To address the challenge, we propose a novel Disentangled Self-supervised Graph Neural Architecture Search (DSGAS) model, which is able to discover the optimal architectures capturing various latent graph factors in a self-supervised fashion based on unlabeled graph data. Specifically, we first design a disentangled graph super-network capable of incorporating multiple architectures with factor-wise disentanglement, which are optimized simultaneously. Then, we estimate the performance of architectures under different factors by our proposed self-supervised training with joint architecture-graph disentanglement. Finally, we propose a contrastive search with architecture augmentations to discover architectures with factor-specific expertise. Extensive experiments on 11 real-world datasets demonstrate that the proposed model is able to achieve state-of-the-art performance against several baseline methods in an unsupervised manner.

Transformers are widely used deep learning architectures. Existing transformers are mostly designed for sequences (texts or time series), images or videos, and graphs. This paper proposes a novel transformer model for massive (up to a million) point samples in continuous space. Such data are ubiquitous in environment sciences (e.g., sensor observations), numerical simulations (e.g., particle-laden flow, astrophysics), and location-based services (e.g., POIs and trajectories). However, designing a transformer for massive spatial points is non-trivial due to several challenges, including implicit long-range and multi-scale dependency on irregular points in continuous space, a non-uniform point distribution, the potential high computational costs of calculating all-pair attention across massive points, and the risks of over-confident predictions due to varying point density. To address these challenges, we propose a new hierarchical spatial transformer model, which includes multi-resolution representation learning within a quad-tree hierarchy and efficient spatial attention via coarse approximation. We also design an uncertainty quantification branch to estimate prediction confidence related to input feature noise and point sparsity. We provide a theoretical analysis of computational time complexity and memory costs. Extensive experiments on both real-world and synthetic datasets show that our method outperforms multiple baselines in prediction accuracy and our model can scale up to one million points on one NVIDIA A100 GPU. The code is available at https://github.com/spatialdatasciencegroup/HST

In neural network binarization, BinaryConnect (BC) and its variants are considered the standard. These methods apply the sign function in their forward pass and their respective gradients are backpropagated to update the weights. However, the derivative of the sign function is zero whenever defined, which consequently freezes training. Therefore, implementations of BC (e.g., BNN) usually replace the derivative of sign in the backward computation with identity or other approximate gradient alternatives. Although such practice works well empirically, it is largely a heuristic or ``training trick.'' We aim at shedding some light on these training tricks from the optimization perspective. Building from existing theory on ProxConnect (PC, a generalization of BC), we (1) equip PC with different forward-backward quantizers and obtain ProxConnect++ (PC++) that includes existing binarization techniques as special cases; (2) derive a principled way to synthesize forward-backward quantizers with automatic theoretical guarantees; (3) illustrate our theory by proposing an enhanced binarization algorithm BNN++; (4) conduct image classification experiments on CNNs and vision transformers, and empirically verify that BNN++ generally achieves competitive results on binarizing these models.

We study the problem of computing an optimal policy of an infinite-horizon discounted constrained Markov decision process (constrained MDP). Despite the popularity of Lagrangian-based policy search methods used in practice, the oscillation of policy iterates in these methods has not been fully understood, bringing out issues such as violation of constraints and sensitivity to hyper-parameters. To fill this gap, we employ the Lagrangian method to cast a constrained MDP into a constrained saddle-point problem in which max/min players correspond to primal/dual variables, respectively, and develop two single-time-scale policy-based primal-dual algorithms with non-asymptotic convergence of their policy iterates to an optimal constrained policy. Specifically, we first propose a regularized policy gradient primal-dual (RPG-PD) method that updates the policy using an entropy-regularized policy gradient, and the dual variable via a quadratic-regularized gradient ascent, simultaneously. We prove that the policy primal-dual iterates of RPG-PD converge to a regularized saddle point with a sublinear rate, while the policy iterates converge sublinearly to an optimal constrained policy. We further instantiate RPG-PD in large state or action spaces by including function approximation in policy parametrization, and establish similar sublinear last-iterate policy convergence. Second, we propose an optimistic policy gradient primal-dual (OPG-PD) method that employs the optimistic gradient method to update primal/dual variables, simultaneously. We prove that the policy primal-dual iterates of OPG-PD converge to a saddle point that contains an optimal constrained policy, with a linear rate. To the best of our knowledge, this work appears to be the first non-asymptotic policy last-iterate convergence result for single-time-scale algorithms in constrained MDPs. We further validate the merits and the effectiveness of our methods in computational experiments.

With a long history of traditional Graph Anomaly Detection (GAD) algorithms and recently popular Graph Neural Networks (GNNs), it is still not clear (1) how they perform under a standard comprehensive setting, (2) whether GNNs can outperform traditional algorithms such as tree ensembles, and (3) how about their efficiency on large-scale graphs. In response, we introduce GADBench---a benchmark tool dedicated to supervised anomalous node detection in static graphs. GADBench facilitates a detailed comparison across 29 distinct models on ten real-world GAD datasets, encompassing thousands to millions (~6M) nodes. Our main finding is that tree ensembles with simple neighborhood aggregation can outperform the latest GNNs tailored for the GAD task. We shed light on the current progress of GAD, setting a robust groundwork for subsequent investigations in this domain. GADBench is open-sourced at https://github.com/squareRoot3/GADBench.

Multi-view learning has become a popular research topic in recent years, but research on the cross-application of classic multi-label classification and multi-view learning is still in its early stages. In this paper, we focus on the complex yet highly realistic task of incomplete multi-view weak multi-label learning and propose a masked two-channel decoupling framework based on deep neural networks to solve this problem. The core innovation of our method lies in decoupling the single-channel view-level representation, which is common in deep multi-view learning methods, into a shared representation and a view-proprietary representation. We also design a cross-channel contrastive loss to enhance the semantic property of the two channels. Additionally, we exploit supervised information to design a label-guided graph regularization loss, helping the extracted embedding features preserve the geometric structure among samples. Inspired by the success of masking mechanisms in image and text analysis, we develop a random fragment masking strategy for vector features to improve the learning ability of encoders. Finally, it is important to emphasize that our model is fully adaptable to arbitrary view and label absences while also performing well on the ideal full data. We have conducted sufficient and convincing experiments to confirm the effectiveness and advancement of our model.

The Winograd algorithm is an efficient convolution implementation, which performs calculations in the transformed domain. To further improve the computation efficiency, recent works propose to combine it with model quantization. Although Post-Training Quantization has the advantage of low computational cost and has been successfully applied in many other scenarios, a severe accuracy drop exists when utilizing it in Winograd convolution. Besides, despite the Winograd algorithm consisting of four stages, most existing methods only quantize the element-wise multiplication stage, leaving a considerable portion of calculations in full precision. In this paper, observing the inconsistency among different transformation procedures, we present PTQ-Aware Winograd (PAW) to optimize them collaboratively under a unified objective function. Moreover, we explore the full quantization of faster Winograd (tile size $\geq4$) for the first time. We further propose a hardware-friendly method called Factorized Scale Quantization (FSQ), which can effectively balance the significant range differences in the Winograd domain. Experiments demonstrate the effectiveness of our method, e.g., with 8-bit quantization and a tile size of 6, our method outperforms the previous Winograd PTQ method by 8.27\% and 5.38\% in terms of the top-1 accuracy on ResNet-18 and ResNet-34, respectively.

This paper presents an innovative approach to enhancing explainable image retrieval, particularly in situations where a fine-tuning set is unavailable. The widely-used SPatial verification (SP) method, despite its efficacy, relies on a spatial model and the hypothesis-testing strategy for instance recognition, leading to inherent limitations, including the assumption of planar structures and neglect of topological relations among features. To address these shortcomings, we introduce a pioneering technique that replaces the spatial model with a topological one within the RANSAC process. We propose bio-inspired saccade and fovea functions to verify the topological consistency among features, effectively circumventing the issues associated with SP's spatial model. Our experimental results demonstrate that our method significantly outperforms SP, achieving state-of-the-art performance in non-fine-tuning retrieval. Furthermore, our approach can enhance performance when used in conjunction with fine-tuned features. Importantly, our method retains high explainability and is lightweight, offering a practical and adaptable solution for a variety of real-world applications.