NeurIPS 2023 Papers

Pseudo-labeling has emerged as a popular and effective approach for utilizing unlabeled data. However, in the context of semi-supervised multi-label learning (SSMLL), conventional pseudo-labeling methods encounter difficulties when dealing with instances associated with multiple labels and an unknown label count. These limitations often result in the introduction of false positive labels or the neglect of true positive ones. To overcome these challenges, this paper proposes a novel solution called Class-Aware Pseudo-Labeling (CAP) that performs pseudo-labeling in a class-aware manner. The proposed approach introduces a regularized learning framework incorporating class-aware thresholds, which effectively control the assignment of positive and negative pseudo-labels for each class. Notably, even with a small proportion of labeled examples, our observations demonstrate that the estimated class distribution serves as a reliable approximation. Motivated by this finding, we develop a class-distribution-aware thresholding strategy to ensure the alignment of pseudo-label distribution with the true distribution. The correctness of the estimated class distribution is theoretically verified, and a generalization error bound is provided for our proposed method. Extensive experiments on multiple benchmark datasets confirm the efficacy of CAP in addressing the challenges of SSMLL problems.

Common statistical measures of uncertainty such as $p$-values and confidence intervals quantify the uncertainty due to sampling, that is, the uncertainty due to not observing the full population. However, sampling is not the only source of uncertainty. In practice, distributions change between locations and across time. This makes it difficult to gather knowledge that transfers across data sets. We propose a measure of instability that quantifies the distributional instability of a statistical parameter with respect to Kullback-Leibler divergence, that is, the sensitivity of the parameter under general distributional perturbations within a Kullback-Leibler divergence ball. In addition, we quantify the instability of parameters with respect to directional or variable-specific shifts. Measuring instability with respect to directional shifts can be used to detect under which kind of distribution shifts a statistical conclusion might be reversed. We discuss how such knowledge can inform data collection for transfer learning of statistical parameters under shifted distributions. We evaluate the performance of the proposed measure on real data and show that it can elucidate the distributional instability of a parameter with respect to certain shifts and can be used to improve estimation accuracy under shifted distributions.

As a new paradigm in information retrieval, generative retrieval directly generates a ranked list of document identifiers (docids) for a given query using generative language models (LMs). How to assign each document a unique docid (denoted as document tokenization) is a critical problem, because it determines whether the generative retrieval model can precisely retrieve any document by simply decoding its docid. Most existing methods adopt rule-based tokenization, which is ad-hoc and does not generalize well. In contrast, in this paper we propose a novel document tokenization learning method, GenRet, which learns to encode the complete document semantics into docids. GenRet learns to tokenize documents into short discrete representations (i.e., docids) via a discrete auto-encoding approach. We develop a progressive training scheme to capture the autoregressive nature of docids and diverse clustering techniques to stabilize the training process. Based on the semantic-embedded docids of any set of documents, the generative retrieval model can learn to generate the most relevant docid only according to the docids' semantic relevance to the queries. We conduct experiments on the NQ320K, MS MARCO, and BEIR datasets. GenRet establishes the new state-of-the-art on the NQ320K dataset. Compared to generative retrieval baselines, GenRet can achieve significant improvements on unseen documents. Moreover, GenRet can also outperform comparable baselines on MS MARCO and BEIR, demonstrating the method's generalizability.

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.

Large language models (LLMs) are increasingly adopted for a variety of tasks with implicit graphical structures, such as planning in robotics, multi-hop question answering or knowledge probing, structured commonsense reasoning, and more. While LLMs have advanced the state-of-the-art on these tasks with structure implications, whether LLMs could explicitly process textual descriptions of graphs and structures, map them to grounded conceptual spaces, and perform structured operations remains underexplored. To this end, we propose NLGraph (Natural Language Graph), a comprehensive benchmark of graph-based problem solving designed in natural language. NLGraph contains 29,370 problems, covering eight graph reasoning tasks with varying complexity from simple tasks such as connectivity and shortest path up to complex problems such as maximum flow and simulating graph neural networks. We evaluate LLMs (GPT-3/4) with various prompting approaches on the NLGraph benchmark and find that 1) language models do demonstrate preliminary graph reasoning abilities, 2) the benefit of advanced prompting and in-context learning diminishes on more complex graph problems, while 3) LLMs are also (un)surprisingly brittle in the face of spurious correlations in graph and problem settings. We then propose Build-a-Graph Prompting and Algorithmic Prompting, two instruction-based approaches to enhance LLMs in solving natural language graph problems. Build-a-Graph and Algorithmic prompting improve the performance of LLMs on NLGraph by 3.07% to 16.85% across multiple tasks and settings, while how to solve the most complicated graph reasoning tasks in our setup with language models remains an open research question.

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.

Real-world datasets are typically imbalanced in the sense that only a few classes have numerous samples, while many classes are associated with only a few samples. As a result, a naive ERM learning process will be biased towards the majority classes, making it difficult to generalize to the minority classes. To address this issue, one simple but effective approach is to modify the loss function to emphasize the learning on minority classes, such as re-weighting the losses or adjusting the logits via class-dependent terms. However, existing generalization analysis of such losses is still coarse-grained and fragmented, failing to explain some empirical results. To bridge this gap between theory and practice, we propose a novel technique named data-dependent contraction to capture how these modified losses handle different classes. On top of this technique, a fine-grained generalization bound is established for imbalanced learning, which helps reveal the mystery of re-weighting and logit-adjustment in a unified manner. Furthermore, a principled learning algorithm is developed based on the theoretical insights. Finally, the empirical results on benchmark datasets not only validate the theoretical results but also demonstrate the effectiveness of the proposed method.

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.