NeurIPS 2023 Papers

Stein thinning is a promising algorithm proposed by (Riabiz et al., 2022) for post-processing outputs of Markov chain Monte Carlo (MCMC). The main principle is to greedily minimize the kernelized Stein discrepancy (KSD), which only requires the gradient of the log-target distribution, and is thus well-suited for Bayesian inference. The main advantages of Stein thinning are the automatic remove of the burn-in period, the correction of the bias introduced by recent MCMC algorithms, and the asymptotic properties of convergence towards the target distribution. Nevertheless, Stein thinning suffers from several empirical pathologies, which may result in poor approximations, as observed in the literature. In this article, we conduct a theoretical analysis of these pathologies, to clearly identify the mechanisms at stake, and suggest improved strategies. Then, we introduce the regularized Stein thinning algorithm to alleviate the identified pathologies. Finally, theoretical guarantees and extensive experiments show the high efficiency of the proposed algorithm. An implementation of regularized Stein thinning as the kernax library in python and JAX is available at https://gitlab.com/drti/kernax.

Classic network clustering tackles the problem of identifying sets of nodes (communities) that have similar connection patterns. However, in many scenarios nodes also have attributes that are correlated and can also be used to identify node clusters. Thus, network information (edges) and node information (attributes) can be jointly leveraged to design high-performance clustering algorithms. Under a general model for the network and node attributes, this work establishes an information-theoretic criteria for the exact recovery of community labels and characterizes a phase transition determined by the Chernoff-Hellinger divergence of the model. The criteria shows how network and attribute information can be exchanged in order to have exact recovery (e.g., more reliable network information requires less reliable attribute information). This work also presents an iterative clustering algorithm that maximizes the joint likelihood, assuming that the probability distribution of network interactions and node attributes belong to exponential families. This covers a broad range of possible interactions (e.g., edges with weights) and attributes (e.g., non-Gaussian models) while also exploring the connection between exponential families and Bregman divergences. Extensive numerical experiments using synthetic and real data indicate that the proposed algorithm outperforms algorithms that leverage only network or only attribute information as well as recently proposed algorithms that perform clustering using both sources of information. The contributions of this work provide insights into the fundamental limits and practical techniques for inferring community labels on node-attributed networks.

In computational social choice, the distortion of a voting rule quantifies the degree to which the rule overcomes limited preference information to select a socially desirable outcome. This concept has been investigated extensively, but only through a worst-case lens. Instead, we study the expected distortion of voting rules with respect to an underlying distribution over voter utilities. Our main contribution is the design and analysis of a novel and intuitive rule, binomial voting, which provides strong distribution-independent guarantees for both expected distortion and expected welfare.

Bayesian persuasion studies the problem faced by an informed sender who strategically discloses information to influence the behavior of an uninformed receiver. Recently, a growing attention has been devoted to settings where the sender and the receiver interact sequentially, in which the receiver's decision-making problem is usually modeled as a Markov decision process (MDP). However, the literature focuses on computing optimal information-revelation policies (a.k.a. signaling schemes) under the restrictive assumption that the receiver acts myopically, selecting actions to maximize the one-step utility and disregarding future rewards. This is justified by the fact that, when the receiver is farsighted and thus considers future rewards, finding an optimal Markovian signaling scheme is NP-hard. In this paper, we show that Markovian signaling schemes do not constitute the "right" class of policies. Indeed, differently from most of the MDPs settings, we show that Markovian signaling schemes are not optimal, and general history-dependent signaling schemes should be considered. Moreover, we also show that history-dependent signaling schemes circumvent the negative complexity results affecting Markovian signaling schemes. Formally, we design an algorithm that computes an optimal and $\epsilon$-persuasive history-dependent signaling scheme in time polynomial in ${1}/{\epsilon}$ and in the instance size. The crucial challenge is that general history-dependent signaling schemes cannot be represented in polynomial space. Nevertheless, we introduce a convenient subclass of history-dependent signaling schemes, called promise-form, which are as powerful as general history-dependent ones and efficiently representable. Intuitively, promise-form signaling schemes compactly encode histories in the form of honest promises on future receiver's rewards.

Autoregressive sampling from large language models has led to state-of-the-art results in several natural language tasks. However, autoregressive sampling generates tokens one at a time making it slow, and even prohibitive in certain tasks. One way to speed up sampling is *speculative decoding*: use a small model to sample a *draft* (block or sequence of tokens), and then score all tokens in the draft by the large language model in parallel. A subset of the tokens in the draft are accepted (and the rest rejected) based on a statistical method to guarantee that the final output follows the distribution of the large model. In this work, we provide a principled understanding of speculative decoding through the lens of optimal transport (OT) with *membership cost*. This framework can be viewed as an extension of the well-known *maximal-coupling* problem. This new formulation enables us to generalize the speculative decoding method to allow for a set of $k$ candidates at the token-level, which leads to an improved optimal membership cost. We show that the optimal draft selection algorithm (transport plan) can be computed via linear programming, whose best-known runtime is exponential in $k$. We then propose a valid draft selection algorithm whose acceptance probability is $(1-1/e)$-optimal multiplicatively. Moreover, it can be computed in time almost linear with size of domain of a single token. Using this new draft selection algorithm, we develop a new autoregressive sampling algorithm called *SpecTr*, which provides speedup in decoding while ensuring that there is no quality degradation in the decoded output. We experimentally demonstrate that for state-of-the-art large language models, the proposed approach achieves a wall clock speedup of 2.13X, a further 1.37X speedup over speculative decoding on standard benchmarks.

Depth estimation from monocular images is pivotal for real-world visual perception systems. While current learning-based depth estimation models train and test on meticulously curated data, they often overlook out-of-distribution (OoD) situations. Yet, in practical settings -- especially safety-critical ones like autonomous driving -- common corruptions can arise. Addressing this oversight, we introduce a comprehensive robustness test suite, RoboDepth, encompassing 18 corruptions spanning three categories: i) weather and lighting conditions; ii) sensor failures and movement; and iii) data processing anomalies. We subsequently benchmark 42 depth estimation models across indoor and outdoor scenes to assess their resilience to these corruptions. Our findings underscore that, in the absence of a dedicated robustness evaluation framework, many leading depth estimation models may be susceptible to typical corruptions. We delve into design considerations for crafting more robust depth estimation models, touching upon pre-training, augmentation, modality, model capacity, and learning paradigms. We anticipate our benchmark will establish a foundational platform for advancing robust OoD depth estimation.

We introduce SwiftSage, a novel agent framework inspired by the dual-process theory of human cognition, designed to excel in action planning for complex interactive reasoning tasks. SwiftSage integrates the strengths of behavior cloning and prompting large language models (LLMs) to enhance task completion performance. The framework comprises two primary modules: the Swift module, representing fast and intuitive thinking, and the Sage module, emulating deliberate thought processes. The Swift module is a small encoder-decoder LM fine-tuned on the oracle agent's action trajectories, while the Sage module employs LLMs such as GPT-4 for subgoal planning and grounding. We develop a heuristic method to harmoniously integrate the two modules, resulting in a more efficient and robust problem-solving process. In 30 tasks from the ScienceWorld benchmark, SwiftSage significantly outperforms other methods such as SayCan, ReAct, and Reflexion, demonstrating its effectiveness in solving complex interactive tasks.

Variational inequalities are a broad and flexible class of problems that includes minimization, saddle point, and fixed point problems as special cases. Therefore, variational inequalities are used in various applications ranging from equilibrium search to adversarial learning. With the increasing size of data and models, today's instances demand parallel and distributed computing for real-world machine learning problems, most of which can be represented as variational inequalities. Meanwhile, most distributed approaches have a significant bottleneck -- the cost of communications. The three main techniques to reduce the total number of communication rounds and the cost of one such round are the similarity of local functions, compression of transmitted information, and local updates. In this paper, we combine all these approaches. Such a triple synergy did not exist before for variational inequalities and saddle problems, nor even for minimization problems. The methods presented in this paper have the best theoretical guarantees of communication complexity and are significantly ahead of other methods for distributed variational inequalities. The theoretical results are confirmed by adversarial learning experiments on synthetic and real datasets.

Out-of-distribution (OOD) detection is important for deploying reliable machine learning models on real-world applications. Recent advances in outlier exposure have shown promising results on OOD detection via fine-tuning model with informatively sampled auxiliary outliers. However, previous methods assume that the collected outliers can be sufficiently large and representative to cover the boundary between ID and OOD data, which might be impractical and challenging. In this work, we propose a novel framework, namely, Diversified Outlier Exposure (DivOE), for effective OOD detection via informative extrapolation based on the given auxiliary outliers. Specifically, DivOE introduces a new learning objective, which diversifies the auxiliary distribution by explicitly synthesizing more informative outliers for extrapolation during training. It leverages a multi-step optimization method to generate novel outliers beyond the original ones, which is compatible with many variants of outlier exposure. Extensive experiments and analyses have been conducted to characterize and demonstrate the effectiveness of the proposed DivOE. The code is publicly available at: https://github.com/tmlr-group/DivOE.

We present a multi-temporal, multi-modal remote-sensing dataset for predicting how active wildfires will spread at a resolution of 24 hours. The dataset consists of 13607 images across 607 fire events in the United States from January 2018 to October 2021. For each fire event, the dataset contains a full time series of daily observations, containing detected active fires and variables related to fuel, topography and weather conditions. The dataset is challenging due to: a) its inputs being multi-temporal, b) the high number of 23 multi-modal input channels, c) highly imbalanced labels and d) noisy labels, due to smoke, clouds, and inaccuracies in the active fire detection. The underlying complexity of the physical processes adds to these challenges. Compared to existing public datasets in this area, WildfireSpreadTS allows for multi-temporal modeling of spreading wildfires, due to its time series structure. Furthermore, we provide additional input modalities and a high spatial resolution of 375m for the active fire maps. We publish this dataset to encourage further research on this important task with multi-temporal, noise-resistant or generative methods, uncertainty estimation or advanced optimization techniques that deal with the high-dimensional input space.

Creating large-scale high-quality labeled datasets is a major bottleneck in supervised machine learning workflows. Threshold-based auto-labeling (TBAL), where validation data obtained from humans is used to find a confidence threshold above which the data is machine-labeled, reduces reliance on manual annotation. TBAL is emerging as a widely-used solution in practice. Given the long shelf-life and diverse usage of the resulting datasets, understanding when the data obtained by such auto-labeling systems can be relied on is crucial. This is the first work to analyze TBAL systems and derive sample complexity bounds on the amount of human-labeled validation data required for guaranteeing the quality of machine-labeled data. Our results provide two crucial insights. First, reasonable chunks of unlabeled data can be automatically and accurately labeled by seemingly bad models. Second, a hidden downside of TBAL systems is potentially prohibitive validation data usage. Together, these insights describe the promise and pitfalls of using such systems. We validate our theoretical guarantees with extensive experiments on synthetic and real datasets.

Some of the most successful knowledge graph embedding (KGE) models for link prediction – CP, RESCAL, TuckER, ComplEx – can be interpreted as energy-based models. Under this perspective they are not amenable for exact maximum-likelihood estimation (MLE), sampling and struggle to integrate logical constraints. This work re-interprets the score functions of these KGEs as circuits – constrained computational graphs allowing efficient marginalisation. Then, we design two recipes to obtain efficient generative circuit models by either restricting their activations to be non-negative or squaring their outputs. Our interpretation comes with little or no loss of performance for link prediction, while the circuits framework unlocks exact learning by MLE, efficient sampling of new triples, and guarantee that logical constraints are satisfied by design. Furthermore, our models scale more gracefully than the original KGEs on graphs with millions of entities.

Human reasoning can be understood as a cooperation between the intuitive, associative "System-1'' and the deliberative, logical "System-2''. For existing System-1-like methods in visual activity understanding, it is crucial to integrate System-2 processing to improve explainability, generalization, and data efficiency. One possible path of activity reasoning is building a symbolic system composed of symbols and rules, where one rule connects multiple symbols, implying human knowledge and reasoning abilities. Previous methods have made progress, but are defective with limited symbols from handcraft and limited rules from visual-based annotations, failing to cover the complex patterns of activities and lacking compositional generalization. To overcome the defects, we propose a new symbolic system with two ideal important properties: broad-coverage symbols and rational rules. Collecting massive human knowledge via manual annotations is expensive to instantiate this symbolic system. Instead, we leverage the recent advancement of LLMs (Large Language Models) as an approximation of the two ideal properties, i.e., Symbols from Large Language Models (Symbol-LLM). Then, given an image, visual contents from the images are extracted and checked as symbols and activity semantics are reasoned out based on rules via fuzzy logic calculation. Our method shows superiority in extensive activity understanding tasks. Code and data are available at https://mvig-rhos.com/symbol_llm.

Inductive relation prediction (IRP)---where entities can be different during training and inference---has shown great power for completing evolving knowledge graphs. Existing works mainly focus on using graph neural networks (GNNs) to learn the representation of the subgraph induced from the target link, which can be seen as an implicit rule-mining process to measure the plausibility of the target link. However, these methods are not able to differentiate the target link and other links during message passing, hence the final subgraph representation will contain irrelevant rule information to the target link, which reduces the reasoning performance and severely hinders the applications for real-world scenarios. To tackle this problem, we propose a novel $\textit{single-source edge-wise}$ GNN model to learn the $\textbf{R}$ule-induc$\textbf{E}$d $\textbf{S}$ubgraph represen$\textbf{T}$ations $(\textbf{REST}$), which encodes relevant rules and eliminates irrelevant rules within the subgraph. Specifically, we propose a $\textit{single-source}$ initialization approach to initialize edge features only for the target link, which guarantees the relevance of mined rules and target link. Then we propose several RNN-based functions for $\textit{edge-wise}$ message passing to model the sequential property of mined rules. REST is a simple and effective approach with theoretical support to learn the $\textit{rule-induced subgraph representation}$. Moreover, REST does not need node labeling, which significantly accelerates the subgraph preprocessing time by up to $\textbf{11.66}\times$. Experiments on inductive relation prediction benchmarks demonstrate the effectiveness of our REST.

Deep Equilibrium Models (DEQs) and Neural Ordinary Differential Equations (Neural ODEs) are two branches of implicit models that have achieved remarkable success owing to their superior performance and low memory consumption. While both are implicit models, DEQs and Neural ODEs are derived from different mathematical formulations. Inspired by homotopy continuation, we establish a connection between these two models and illustrate that they are actually two sides of the same coin. Homotopy continuation is a classical method of solving nonlinear equations based on a corresponding ODE. Given this connection, we proposed a new implicit model called HomoODE that inherits the property of high accuracy from DEQs and the property of stability from Neural ODEs. Unlike DEQs, which explicitly solve an equilibrium-point-finding problem via Newton's methods in the forward pass, HomoODE solves the equilibrium-point-finding problem implicitly using a modified Neural ODE via homotopy continuation. Further, we developed an acceleration method for HomoODE with a shared learnable initial point. It is worth noting that our model also provides a better understanding of why Augmented Neural ODEs work as long as the augmented part is regarded as the equilibrium point to find. Comprehensive experiments with several image classification tasks demonstrate that HomoODE surpasses existing implicit models in terms of both accuracy and memory consumption.

We aim to investigate whether end-to-end learning of visual reasoning can be achieved with general-purpose neural networks, with the help of visual pretraining. A positive result would refute the common belief that explicit visual abstraction (e.g. object detection) is essential for compositional generalization on visual reasoning, and confirm the feasibility of a neural network ''generalist'' to solve visual recognition and reasoning tasks. We propose a simple and general self-supervised framework which ''compresses'' each video frame into a small set of tokens with a transformer network, and reconstructs the remaining frames based on the compressed temporal context. To minimize the reconstruction loss, the network must learn a compact representation for each image, as well as capture temporal dynamics and object permanence from temporal context. We perform evaluation on two visual reasoning benchmarks, CATER and ACRE. We observe that pretraining is essential to achieve compositional generalization for end-to-end visual reasoning. Our proposed framework outperforms traditional supervised pretraining, including image classification and explicit object detection, by large margins.

No-Reference Video Quality Assessment (NR-VQA) plays an essential role in improving the viewing experience of end-users. Driven by deep learning, recent NR-VQA models based on Convolutional Neural Networks (CNNs) and Transformers have achieved outstanding performance. To build a reliable and practical assessment system, it is of great necessity to evaluate their robustness. However, such issue has received little attention in the academic community. In this paper, we make the first attempt to evaluate the robustness of NR-VQA models against adversarial attacks, and propose a patch-based random search method for black-box attack. Specifically, considering both the attack effect on quality score and the visual quality of adversarial video, the attack problem is formulated as misleading the estimated quality score under the constraint of just-noticeable difference (JND). Built upon such formulation, a novel loss function called Score-Reversed Boundary Loss is designed to push the adversarial video’s estimated quality score far away from its ground-truth score towards a specific boundary, and the JND constraint is modeled as a strict $L_2$ and $L_\infty$ norm restriction. By this means, both white-box and black-box attacks can be launched in an effective and imperceptible manner. The source code is available at https://github.com/GZHU-DVL/AttackVQA.

We introduce general tools for designing efficient private estimation algorithms, in the high-dimensional settings, whose statistical guarantees almost match those of the best known non-private algorithms. To illustrate our techniques, we consider two problems: recovery of stochastic block models and learning mixtures of spherical Gaussians. For the former, we present the first efficient $(\epsilon, \delta)$-differentially private algorithm for both weak recovery and exact recovery. Previously known algorithms achieving comparable guarantees required quasi-polynomial time. For the latter, we design an $(\epsilon, \delta)$-differentially private algorithm that recovers the centers of the $k$-mixture when the minimum separation is at least $ O(k^{1/t}\sqrt{t})$. For all choices of $t$, this algorithm requires sample complexity $n\geq k^{O(1)}d^{O(t)}$ and time complexity $(nd)^{O(t)}$. Prior work required either an additional additive $\Omega(\sqrt{\log n})$ term in the minimum separation or an explicit upper bound on the Euclidean norm of the centers.

Exploring large corpora can generate useful discoveries but is time-consuming for humans. We formulate a new task, D5, that automatically discovers differences between two large corpora in a goal-driven way. The task input is a problem comprising a user-specified research goal (“*comparing the side effects of drug A and drug*”) and a corpus pair (two large collections of patients' self-reported reactions after taking each drug). The output is a goal-related description (discovery) of how these corpora differ (patients taking drug A “*mention feelings of paranoia*” more often). We build a D5 system, and to quantitatively evaluate its performance, we 1) build a diagnostic benchmark, SynD5, to test whether it can recover known differences between two synthetic corpora, and 2) contribute a meta-dataset, OpenD5, aggregating 675 open-ended problems ranging across business, social sciences, humanities, machine learning, and health. With both synthetic and real datasets, we confirm that language models can leverage the user-specified goals to propose more relevant candidate discoveries, and they sometimes produce discoveries previously unknown to the authors, including demographic differences in discussion topics, political stances in speech, insights in commercial reviews, and error patterns in NLP models. Finally, we discuss the limitations of the current D5 system, which discovers correlation rather than causation and has the potential to reinforce societal biases when misused; therefore, practitioners should treat the outputs of our system with caution.