NeurIPS 2024 Papers

We consider the problem of active learning on graphs for node-level tasks, which has crucial applications in many real-world networks where labeling node responses is expensive. In this paper, we propose an offline active learning method that selects nodes to query by explicitly incorporating information from both the network structure and node covariates. Building on graph signal recovery theories and the random spectral sparsification technique, the proposed method adopts a two-stage biased sampling strategy that takes both informativeness and representativeness into consideration for node querying. Informativeness refers to the complexity of graph signals that are learnable from the responses of queried nodes, while representativeness refers to the capacity of queried nodes to control generalization errors given noisy node-level information. We establish a theoretical relationship between generalization error and the number of nodes selected by the proposed method. Our theoretical results demonstrate the trade-off between Informativeness and representativeness in active learning. Extensive numerical experiments show that the proposed method is competitive with existing graph-based active learning methods, especially when node covariates and responses contain noises. Additionally, the proposed method is applicable to both regression and classification tasks on graphs.

Safe reinforcement learning (RL) requires the agent to finish a given task while obeying specific constraints. Giving constraints in natural language form has great potential for practical scenarios due to its flexible transfer capability and accessibility. Previous safe RL methods with natural language constraints typically need to design cost functions manually for each constraint, which requires domain expertise and lacks flexibility. In this paper, we harness the dual role of text in this task, using it not only to provide constraint but also as a training signal. We introduce the Trajectory-level Textual Constraints Translator (TTCT) to replace the manually designed cost function. Our empirical results demonstrate that TTCT effectively comprehends textual constraint and trajectory, and the policies trained by TTCT can achieve a lower violation rate than the standard cost function. Extra studies are conducted to demonstrate that the TTCT has zero-shot transfer capability to adapt to constraint-shift environments.

Time series forecasting has attracted significant attention in recent decades. Previous studies have demonstrated that the Channel-Independent (CI) strategy improves forecasting performance by treating different channels individually, while it leads to poor generalization on unseen instances and ignores potentially necessary interactions between channels. Conversely, the Channel-Dependent (CD) strategy mixes all channels with even irrelevant and indiscriminate information, which, however, results in oversmoothing issues and limits forecasting accuracy. There is a lack of channel strategy that effectively balances individual channel treatment for improved forecasting performance without overlooking essential interactions between channels. Motivated by our observation of a correlation between the time series model's performance boost against channel mixing and the intrinsic similarity on a pair of channels, we developed a novel and adaptable \textbf{C}hannel \textbf{C}lustering \textbf{M}odule (CCM). CCM dynamically groups channels characterized by intrinsic similarities and leverages cluster information instead of individual channel identities, combining the best of CD and CI worlds. Extensive experiments on real-world datasets demonstrate that CCM can (1) boost the performance of CI and CD models by an average margin of 2.4% and 7.2% on long-term and short-term forecasting, respectively; (2) enable zero-shot forecasting with mainstream time series forecasting models; (3) uncover intrinsic time series patterns among channels and improve interpretability of complex time series models.

We present a unified likelihood ratio-based confidence sequence (CS) for *any* (self-concordant) generalized linear model (GLM) that is guaranteed to be convex and numerically tight. We show that this is on par or improves upon known CSs for various GLMs, including Gaussian, Bernoulli, and Poisson. In particular, for the first time, our CS for Bernoulli has a $\mathrm{poly}(S)$-free radius where $S$ is the norm of the unknown parameter. Our first technical novelty is its derivation, which utilizes a time-uniform PAC-Bayesian bound with a uniform prior/posterior, despite the latter being a rather unpopular choice for deriving CSs. As a direct application of our new CS, we propose a simple and natural optimistic algorithm called **OFUGLB**, applicable to *any* generalized linear bandits (**GLB**; Filippi et al. (2010)). Our analysis shows that the celebrated optimistic approach simultaneously attains state-of-the-art regrets for various self-concordant (not necessarily bounded) **GLB**s, and even $\mathrm{poly}(S)$-free for bounded **GLB**s, including logistic bandits. The regret analysis, our second technical novelty, follows from combining our new CS with a new proof technique that completely avoids the previously widely used self-concordant control lemma (Faury et al., 2020, Lemma 9). Numerically, **OFUGLB** outperforms or is at par with prior algorithms for logistic bandits.

We study online classification when the learner has access to predictions about future examples. We design an online learner whose expected regret is never worse than the worst-case regret, gracefully improves with the quality of the predictions, and can be significantly better than the worst-case regret when the predictions of future examples are accurate. As a corollary, we show that if the learner is always guaranteed to observe data where future examples are easily predictable, then online learning can be as easy as transductive online learning. Our results complement recent work in online algorithms with predictions and smoothed online classification, which go beyond a worse-case analysis by using machine-learned predictions and distributional assumptions respectively.

Driving systems often rely on high-definition (HD) maps for precise environmental information, which is crucial for planning and navigation. While current HD map constructors perform well under ideal conditions, their resilience to real-world challenges, \eg, adverse weather and sensor failures, is not well understood, raising safety concerns. This work introduces MapBench, the first comprehensive benchmark designed to evaluate the robustness of HD map construction methods against various sensor corruptions. Our benchmark encompasses a total of 29 types of corruptions that occur from cameras and LiDAR sensors. Extensive evaluations across 31 HD map constructors reveal significant performance degradation of existing methods under adverse weather conditions and sensor failures, underscoring critical safety concerns. We identify effective strategies for enhancing robustness, including innovative approaches that leverage multi-modal fusion, advanced data augmentation, and architectural techniques. These insights provide a pathway for developing more reliable HD map construction methods, which are essential for the advancement of autonomous driving technology. The benchmark toolkit and affiliated code and model checkpoints have been made publicly accessible.

Deep neural networks (DNNs) excel on clean images but struggle with corrupted ones. Incorporating specific corruptions into the data augmentation pipeline can improve robustness to those corruptions but may harm performance on clean images and other types of distortion. In this paper, we introduce an alternative approach that improves the robustness of DNNs to a wide range of corruptions without compromising accuracy on clean images. We first demonstrate that input perturbations can be mimicked by multiplicative perturbations in the weight space. Leveraging this, we propose Data Augmentation via Multiplicative Perturbation (DAMP), a training method that optimizes DNNs under random multiplicative weight perturbations. We also examine the recently proposed Adaptive Sharpness-Aware Minimization (ASAM) and show that it optimizes DNNs under adversarial multiplicative weight perturbations. Experiments on image classification datasets (CIFAR-10/100, TinyImageNet and ImageNet) and neural network architectures (ResNet50, ViT-S/16, ViT-B/16) show that DAMP enhances model generalization performance in the presence of corruptions across different settings. Notably, DAMP is able to train a ViT-S/16 on ImageNet from scratch, reaching the top-1 error of 23.7% which is comparable to ResNet50 without extensive data augmentations.

Sign language translation (SLT) addresses the problem of translating information from a sign language in video to a spoken language in text. Existing studies, while showing progress, are often limited to narrow domains and/or few sign languages and struggle with open-domain tasks. In this paper, we push forward the frontier of SLT by scaling pretraining data, model size, and number of translation directions. We perform large-scale SLT pretraining on different data including 1) noisy multilingual Youtube SLT data, 2) parallel text corpora, and 3) SLT data augmented by translating video captions to other languages with off-the-shelf machine translation models. We unify different pretraining tasks with task-specific prompts under the encoder-decoder architecture, and initialize the SLT model with pretrained (m/By)T5 models across model sizes. SLT pretraining results on How2Sign and FLEURS-ASL\#0 (ASL to 42 spoken languages) demonstrate the significance of data/model scaling and cross-lingual cross-modal transfer, as well as the feasibility of zero-shot SLT. We finetune the pretrained SLT models on 5 downstream open-domain SLT benchmarks covering 5 sign languages. Experiments show substantial quality improvements over the vanilla baselines, surpassing the previous state-of-the-art (SOTA) by wide margins.

We propose a new framework for algorithmic stability in the context of multiclass classification. In practice, classification algorithms often operate by first assigning a continuous score (for instance, an estimated probability) to each possible label, then taking the maximizer---i.e., selecting the class that has the highest score. A drawback of this type of approach is that it is inherently unstable, meaning that it is very sensitive to slight perturbations of the training data, since taking the maximizer is discontinuous. Motivated by this challenge, we propose a pipeline for constructing stable classifiers from data, using bagging (i.e., resampling and averaging) to produce stable continuous scores, and then using a stable relaxation of argmax, which we call the "inflated argmax", to convert these scores to a set of candidate labels. The resulting stability guarantee places no distributional assumptions on the data, does not depend on the number of classes or dimensionality of the covariates, and holds for any base classifier. Using a common benchmark data set, we demonstrate that the inflated argmax provides necessary protection against unstable classifiers, without loss of accuracy.

In the realm of music AI, arranging rich and structured multi-track accompaniments from a simple lead sheet presents significant challenges. Such challenges include maintaining track cohesion, ensuring long-term coherence, and optimizing computational efficiency. In this paper, we introduce a novel system that leverages prior modelling over disentangled style factors to address these challenges. Our method presents a two-stage process: initially, a piano arrangement is derived from the lead sheet by retrieving piano texture styles; subsequently, a multi-track orchestration is generated by infusing orchestral function styles into the piano arrangement. Our key design is the use of vector quantization and a unique multi-stream Transformer to model the long-term flow of the orchestration style, which enables flexible, controllable, and structured music generation. Experiments show that by factorizing the arrangement task into interpretable sub-stages, our approach enhances generative capacity while improving efficiency. Additionally, our system supports a variety of music genres and provides style control at different composition hierarchies. We further show that our system achieves superior coherence, structure, and overall arrangement quality compared to existing baselines.

As Large Language Models (LLMs) excel across tasks and specialized domains, scaling LLMs based on existing models has gained significant attention, which is challenged by potential performance drop when combining disparate models. Various techniques have been proposed to aggregate pre-trained LLMs, including model merging, Mixture-of-Experts, and stacking. Despite their merits, a comprehensive comparison and synergistic application of them to a diverse model zoo is yet to be adequately addressed. In light of this research gap, this paper introduces $\texttt{Model-GLUE}$, a holistic LLM scaling guideline. First, our work starts with a benchmarking of existing LLM scaling techniques, especially selective merging, and variants of mixture. Utilizing the insights from the benchmark results, we formulate a strategy for the selection and aggregation of a heterogeneous model zoo characterizing different architectures and initialization. Our methodology involves clustering mergeable models, selecting a merging strategy, and integrating model clusters through model-level mixture. Finally, evidenced by our experiments on a diverse Llama-2-based model zoo, $\texttt{Model-GLUE}$ shows an average performance enhancement of 5.61\%, achieved without additional training. Codes are available at https://github.com/Model-GLUE/Model-GLUE.

Generalizing across robot embodiments and tasks is crucial for adaptive robotic systems. Modular policy learning approaches adapt to new embodiments but are limited to specific tasks, while few-shot imitation learning (IL) approaches often focus on a single embodiment. In this paper, we introduce a few-shot behavior cloning framework to simultaneously generalize to unseen embodiments and tasks using a few (e.g., five) reward-free demonstrations. Our framework leverages a joint-level input-output representation to unify the state and action spaces of heterogeneous embodiments and employs a novel structure-motion state encoder that is parameterized to capture both shared knowledge across all embodiments and embodiment-specific knowledge. A matching-based policy network then predicts actions from a few demonstrations, producing an adaptive policy that is robust to over-fitting. Evaluated in the DeepMind Control suite, our framework termed Meta-Controller demonstrates superior few-shot generalization to unseen embodiments and tasks over modular policy learning and few-shot IL approaches.

We present Meta 3D AssetGen (AssetGen), a significant advancement in text-to-3D generation which produces faithful, high-quality meshes with texture and material control. Compared to works that bake shading in the 3D object’s appearance, AssetGen outputs physically-based rendering (PBR) materials, supporting realistic relighting. AssetGen generates first several views of the object with separate shaded and albedo appearance channels, and then reconstructs colours, metalness and roughness in 3D, using a deferred shading loss for efficient supervision. It also uses a sign-distance function to represent 3D shape more reliably and introduces a corresponding loss for direct shape supervision. This is implemented using fused kernels for high memory efficiency. After mesh extraction, a texture refinement transformer operating in UV space significantly improves sharpness and details. AssetGen achieves 17% improvement in Chamfer Distance and 40% in LPIPS over the best concurrent work for few-view reconstruction, and a human preference of 72% over the best industry competitors of comparable speed, including those that support PBR. Project page with generated assets: https://assetgen.github.io

Recent years have witnessed the rapid development of Neuro-Symbolic (NeSy) AI systems, which integrate symbolic reasoning into deep neural networks. However, most of the existing benchmarks for NeSy AI fail to provide long-horizon reasoning tasks with complex multi-agent interactions. Furthermore, they are usually constrained by fixed and simplistic logical rules over limited entities, making them far from real-world complexities. To address these crucial gaps, we introduce LogiCity, the first simulator based on customizable first-order logic (FOL) for an urban-like environment with multiple dynamic agents. LogiCity models diverse urban elements using semantic and spatial concepts, such as $\texttt{IsAmbulance}(\texttt{X})$ and $\texttt{IsClose}(\texttt{X}, \texttt{Y})$. These concepts are used to define FOL rules that govern the behavior of various agents. Since the concepts and rules are abstractions, they can be universally applied to cities with any agent compositions, facilitating the instantiation of diverse scenarios. Besides, a key feature of LogiCity is its support for user-configurable abstractions, enabling customizable simulation complexities for logical reasoning. To explore various aspects of NeSy AI, LogiCity introduces two tasks, one features long-horizon sequential decision-making, and the other focuses on one-step visual reasoning, varying in difficulty and agent behaviors. Our extensive evaluation reveals the advantage of NeSy frameworks in abstract reasoning. Moreover, we highlight the significant challenges of handling more complex abstractions in long-horizon multi-agent scenarios or under high-dimensional, imbalanced data. With its flexible design, various features, and newly raised challenges, we believe LogiCity represents a pivotal step forward in advancing the next generation of NeSy AI. All the code and data are open-sourced at our website.

Key-value (KV) caching plays an essential role in accelerating decoding for transformer-based autoregressive large language models (LLMs). However, the amount of memory required to store the KV cache can become prohibitive at long sequence lengths and large batch sizes. Since the invention of the transformer, two of the most effective interventions discovered for reducing the size of the KV cache have been Multi-Query Attention (MQA) and its generalization, Grouped-Query Attention (GQA). MQA and GQA both modify the design of the attention block so that multiple query heads can share a single key/value head, reducing the number of distinct key/value heads by a large factor while only minimally degrading accuracy. In this paper, we show that it is possible to take Multi-Query Attention a step further by also sharing key and value heads between adjacent layers, yielding a new attention design we call Cross-Layer Attention (CLA). With CLA, we find that it is possible to reduce the size of the KV cache by another $2\times$ while maintaining nearly the same accuracy as unmodified MQA. In experiments training 1B- and 3B-parameter models from scratch, we demonstrate that CLA provides a Pareto improvement over the memory/accuracy tradeoffs which are possible with traditional MQA, potentially enabling future models to operate at longer sequence lengths and larger batch sizes than would otherwise be possible.

Fairness in image restoration tasks is the desire to treat different sub-groups of images equally well. Existing definitions of fairness in image restoration are highly restrictive. They consider a reconstruction to be a correct outcome for a group (e.g., women) *only* if it falls within the group's set of ground truth images (e.g., natural images of women); otherwise, it is considered *entirely* incorrect. Consequently, such definitions are prone to controversy, as errors in image restoration can manifest in various ways. In this work we offer an alternative approach towards fairness in image restoration, by considering the *Group Perceptual Index* (GPI), which we define as the statistical distance between the distribution of the group's ground truth images and the distribution of their reconstructions. We assess the fairness of an algorithm by comparing the GPI of different groups, and say that it achieves perfect *Perceptual Fairness* (PF) if the GPIs of all groups are identical. We motivate and theoretically study our new notion of fairness, draw its connection to previous ones, and demonstrate its utility on state-of-the-art face image restoration algorithms.

Causal disentanglement aims to learn about latent causal factors behind data, hold- ing the promise to augment existing representation learning methods in terms of interpretability and extrapolation. Recent advances establish identifiability results assuming that interventions on (single) latent factors are available; however, it re- mains debatable whether such assumptions are reasonable due to the inherent nature of intervening on latent variables. Accordingly, we reconsider the fundamentals and ask what can be learned using just observational data. We provide a precise characterization of latent factors that can be identified in nonlinear causal models with additive Gaussian noise and linear mixing, without any interventions or graphical restrictions. In particular, we show that the causal variables can be identified up to a _layer_-wise transformation and that further disen- tanglement is not possible. We transform these theoretical results into a practical algorithm consisting of solving a quadratic program over the score estimation of the observed data. We provide simulation results to support our theoretical guarantees and demonstrate that our algorithm can derive meaningful causal representations from purely observational data.

Federated Learning (FL) allows multiple clients to collaboratively train models without directly sharing their private data. While various data augmentation techniques have been actively studied in the FL environment, most of these methods share input-level or feature-level data information over communication, posing potential privacy leakage. In response to this challenge, we introduce a federated data augmentation algorithm named FedAvP that shares only the augmentation policies, not the data-related information. For data security and efficient policy search, we interpret the policy loss as a meta update loss in standard FL algorithms and utilize the first-order gradient information to further enhance privacy and reduce communication costs. Moreover, we propose a meta-learning method to search for adaptive personalized policies tailored to heterogeneous clients. Our approach outperforms existing best performing augmentation policy search methods and federated data augmentation methods, in the benchmarks for heterogeneous FL.

Equivariant Graph Neural Networks (GNNs) that incorporate E(3) symmetry have achieved significant success in various scientific applications. As one of the most successful models, EGNN leverages a simple scalarization technique to perform equivariant message passing over only Cartesian vectors (i.e., 1st-degree steerable vectors), enjoying greater efficiency and efficacy compared to equivariant GNNs using higher-degree steerable vectors. This success suggests that higher-degree representations might be unnecessary. In this paper, we disprove this hypothesis by exploring the expressivity of equivariant GNNs on symmetric structures, including $k$-fold rotations and regular polyhedra. We theoretically demonstrate that equivariant GNNs will always degenerate to a zero function if the degree of the output representations is fixed to 1 or other specific values. Based on this theoretical insight, we propose HEGNN, a high-degree version of EGNN to increase the expressivity by incorporating high-degree steerable vectors while maintaining EGNN's efficiency through the scalarization trick. Our extensive experiments demonstrate that HEGNN not only aligns with our theoretical analyses on toy datasets consisting of symmetric structures, but also shows substantial improvements on more complicated datasets such as $N$-body and MD17. Our theoretical findings and empirical results potentially open up new possibilities for the research of equivariant GNNs.