NeurIPS 2024 论文列表

The long-run behavior of multi-agent online learning -- and, in particular, no-regret learning -- is relatively well-understood in potential games, where players have common interests. By contrast, in general harmonic games -- the strategic complement of potential games, where players have competing interests -- very little is known outside the narrow subclass of $2$-player zero-sum games with a fully-mixed equilibrium. Our paper seeks to partially fill this gap by focusing on the full class of (generalized) harmonic games and examining the convergence properties of "follow-the-regularized-leader" (FTRL), the most widely studied class of no-regret learning schemes. As a first result, we show that the continuous-time dynamics of FTRL are Poincaré recurrent, i.e., they return arbitrarily close to their starting point infinitely often, and hence fail to converge. In discrete time, the standard, "vanilla" implementation of FTRL may lead to even worse outcomes, eventually trapping the players in a perpetual cycle of best-responses. However, if FTRL is augmented with a suitable extrapolation step -- which includes as special cases the optimistic and mirror-prox variants of FTRL -- we show that learning converges to a Nash equilibrium from any initial condition, and all players are guaranteed at most $\mathcal{O}(1)$ regret. These results provide an in-depth understanding of no-regret learning in harmonic games, nesting prior work on $2$-player zero-sum games, and showing at a high level that potential and harmonic games are complementary not only from the strategic but also from the dynamic viewpoint.

The generation of label noise is often modeled as a process involving a probability transition matrix (also interpreted as the _annotator confusion matrix_) imposed onto the label distribution. Under this model, learning the ``ground-truth classifier''---i.e., the classifier that can be learned if no noise was present---and the confusion matrix boils down to a model identification problem. Prior works along this line demonstrated appealing empirical performance, yet identifiability of the model was mostly established by assuming an instance-invariant confusion matrix. Having an (occasionally) instance-dependent confusion matrix across data samples is apparently more realistic, but inevitably introduces outliers to the model. Our interest lies in confusion matrix-based noisy label learning with such outliers taken into consideration. We begin with pointing out that under the model of interest, using labels produced by only one annotator is fundamentally insufficient to detect the outliers or identify the ground-truth classifier. Then, we prove that by employing a crowdsourcing strategy involving multiple annotators, a carefully designed loss function can establish the desired model identifiability under reasonable conditions. Our development builds upon a link between the noisy label model and a column-corrupted matrix factorization mode---based on which we show that crowdsourced annotations distinguish nominal data and instance-dependent outliers using a low-dimensional subspace. Experiments show that our learning scheme substantially improves outlier detection and the classifier's testing accuracy.

Mutual information (MI) is a general measure of statistical dependence with widespread application across the sciences. However, estimating MI between multi-dimensional variables is challenging because the number of samples necessary to converge to an accurate estimate scales unfavorably with dimensionality. In practice, existing techniques can reliably estimate MI in up to tens of dimensions, but fail in higher dimensions, where sufficient sample sizes are infeasible. Here, we explore the idea that underlying low-dimensional structure in high-dimensional data can be exploited to faithfully approximate MI in high-dimensional settings with realistic sample sizes. We develop a method that we call latent MI (LMI) approximation, which applies a nonparametric MI estimator to low-dimensional representations learned by a simple, theoretically-motivated model architecture. Using several benchmarks, we show that unlike existing techniques, LMI can approximate MI well for variables with $> 10^3$ dimensions if their dependence structure is captured by low-dimensional representations. Finally, we showcase LMI on two open problems in biology. First, we approximate MI between protein language model (pLM) representations of interacting proteins, and find that pLMs encode non-trivial information about protein-protein interactions. Second, we quantify cell fate information contained in single-cell RNA-seq (scRNA-seq) measurements of hematopoietic stem cells, and find a sharp transition during neutrophil differentiation when fate information captured by scRNA-seq increases dramatically. An implementation of LMI is available at *latentmi.readthedocs.io.*

Expert-designed close-ended benchmarks are indispensable in assessing the knowledge capacity of large language models (LLMs). Despite their widespread use, concerns have mounted regarding their reliability due to limited test scenarios and an unavoidable risk of data contamination. To rectify this, we present PertEval, a toolkit devised for in-depth probing of LLMs' knowledge capacity through **knowledge-invariant perturbations**. These perturbations employ human-like restatement techniques to generate on-the-fly test samples from static benchmarks, meticulously retaining knowledge-critical content while altering irrelevant details. Our toolkit further includes a suite of **response consistency analyses** that compare performance on raw vs. perturbed test sets to precisely assess LLMs' genuine knowledge capacity. Six representative LLMs are re-evaluated using PertEval. Results reveal significantly inflated performance of the LLMs on raw benchmarks, including an absolute 25.8% overestimation for GPT-4. Additionally, through a nuanced response pattern analysis, we discover that PertEval retains LLMs' uncertainty to specious knowledge, and reveals their potential rote memorization to correct options which leads to overestimated performance. We also find that the detailed response consistency analyses by PertEval could illuminate various weaknesses in existing LLMs' knowledge mastery and guide the development of refinement. Our findings provide insights for advancing more robust and genuinely knowledgeable LLMs. Our code is available at https://github.com/aigc-apps/PertEval.

We cast real-world humanoid control as a next token prediction problem, akin to predicting the next word in language. Our model is a causal transformer trained via autoregressive prediction of sensorimotor sequences. To account for the multi-modal nature of the data, we perform prediction in a modality-aligned way, and for each input token predict the next token from the same modality. This general formulation enables us to leverage data with missing modalities, such as videos without actions. We train our model on a dataset of sequences from a prior neural network policy, a model-based controller, motion capture, and YouTube videos of humans. We show that our model enables a real humanoid robot to walk in San Francisco zero-shot. Our model can transfer to the real world even when trained on only 27 hours of walking data, and can generalize to commands not seen during training. These findings suggest a promising path toward learning challenging real-world control tasks by generative modeling of sensorimotor sequences.

Despite Flow Matching and diffusion models having emerged as powerful generative paradigms for continuous variables such as images and videos, their application to high-dimensional discrete data, such as language, is still limited. In this work, we present Discrete Flow Matching, a novel discrete flow paradigm designed specifically for generating discrete data. Discrete Flow Matching offers several key contributions: (i) it works with a general family of probability paths interpolating between source and target distributions; (ii) it allows for a generic formula for sampling from these probability paths using learned posteriors such as the probability denoiser ($x$-prediction) and noise-prediction ($\epsilon$-prediction); (iii) practically, focusing on specific probability paths defined with different schedulers improves generative perplexity compared to previous discrete diffusion and flow models; and (iv) by scaling Discrete Flow Matching models up to 1.7B parameters, we reach 6.7% Pass@1 and 13.4% Pass@10 on HumanEval and 6.7% Pass@1 and 20.6% Pass@10 on 1-shot MBPP coding benchmarks. Our approach is capable of generating high-quality discrete data in a non-autoregressive fashion, significantly closing the gap between autoregressive models and discrete flow models.

The difficulty of monitoring biodiversity at fine scales and over large areas limits ecological knowledge and conservation efforts. To fill this gap, Species Distribution Models (SDMs) predict species across space from spatially explicit features. Yet, they face the challenge of integrating the rich but heterogeneous data made available over the past decade, notably millions of opportunistic species observations and standardized surveys, as well as multi-modal remote sensing data. In light of that, we have designed and developed a new European-scale dataset for SDMs at high spatial resolution (10--50m), including more than 10k species (i.e., most of the European flora). The dataset comprises 5M heterogeneous Presence-Only records and 90k exhaustive Presence-Absence survey records, all accompanied by diverse environmental rasters (e.g., elevation, human footprint, and soil) traditionally used in SDMs. In addition, it provides Sentinel-2 RGB and NIR satellite images with 10 m resolution, a 20-year time series of climatic variables, and satellite time series from the Landsat program. In addition to the data, we provide an openly accessible SDM benchmark (hosted on Kaggle), which has already attracted an active community and a set of strong baselines for single predictor/modality and multimodal approaches. All resources, e.g., the dataset, pre-trained models, and baseline methods (in the form of notebooks), are available on Kaggle, allowing one to start with our dataset literally with two mouse clicks.

LLMs are computationally expensive to pre-train due to their large scale. Model growth emerges as a promising approach by leveraging smaller models to accelerate the training of larger ones. However, the viability of these model growth methods in efficient LLM pre-training remains underexplored. This work identifies three critical $\underline{\textit{O}}$bstacles: ($\textit{O}$1) lack of comprehensive evaluation, ($\textit{O}$2) untested viability for scaling, and ($\textit{O}$3) lack of empirical guidelines. To tackle $\textit{O}$1, we summarize existing approaches into four atomic growth operators and systematically evaluate them in a standardized LLM pre-training setting. Our findings reveal that a depthwise stacking operator, called $G_{\text{stack}}$, exhibits remarkable acceleration in training, leading to decreased loss and improved overall performance on eight standard NLP benchmarks compared to strong baselines. Motivated by these promising results, we conduct extensive experiments to delve deeper into $G_{\text{stack}}$ to address $\textit{O}$2 and $\textit{O}$3. For $\textit{O}$2 (untested scalability), our study shows that $G_{\text{stack}}$ is scalable and consistently performs well, with experiments up to 7B LLMs after growth and pre-training LLMs with 750B tokens. For example, compared to a conventionally trained 7B model using 300B tokens, our $G_{\text{stack}}$ model converges to the same loss with 194B tokens, resulting in a 54.6\% speedup. We further address $\textit{O}$3 (lack of empirical guidelines) by formalizing guidelines to determine growth timing and growth factor for $G_{\text{stack}}$, making it practical in general LLM pre-training. We also provide in-depth discussions and comprehensive ablation studies of $G_{\text{stack}}$. Our code and pre-trained model are available at https://llm-stacking.github.io/.

Generative diffusion models and many stochastic models in science and engineering naturally live in infinite dimensions before discretisation. To incorporate observed data for statistical and learning tasks, one needs to condition on observations. While recent work has treated conditioning linear processes in infinite dimensions, conditioning non-linear processes in infinite dimensions has not been explored. This paper conditions function valued stochastic processes without prior discretisation. To do so, we use an infinite-dimensional version of Girsanov's theorem to condition a function-valued stochastic process, leading to a stochastic differential equation (SDE) for the conditioned process involving the score. We apply this technique to do time series analysis for shapes of organisms in evolutionary biology, where we discretise via the Fourier basis and then learn the coefficients of the score function with score matching methods.

We study the generalized linear contextual bandit problem within the constraints of limited adaptivity. In this paper, we present two algorithms, B-GLinCB and RS-GLinCB, that address, respectively, two prevalent limited adaptivity settings. Given a budget $M$ on the number of policy updates, in the first setting, the algorithm needs to decide upfront $M$ rounds at which it will update its policy, while in the second setting it can adaptively perform $M$ policy updates during its course. For the first setting, we design an algorithm B-GLinCB, that incurs $\tilde{O}(\sqrt{T})$ regret when $M = \Omega( \log{\log T} )$ and the arm feature vectors are generated stochastically. For the second setting, we design an algorithm RS-GLinCB that updates its policy $\tilde{O}(\log^2 T)$ times and achieves a regret of $\tilde{O}(\sqrt{T})$ even when the arm feature vectors are adversarially generated. Notably, in these bounds, we manage to eliminate the dependence on a key instance dependent parameter $\kappa$, that captures non-linearity of the underlying reward model. Our novel approach for removing this dependence for generalized linear contextual bandits might be of independent interest.

Although current large language models are complex, the most basic specifications of the underlying language generation problem itself are simple to state: given a finite set of training samples from an unknown language, produce valid new strings from the language that don't already appear in the training data. Here we ask what we can conclude about language generation using only this specification, without further assumptions. In particular, suppose that an adversary enumerates the strings of an unknown target language L that is known only to come from one of a possibly infinite list of candidates. A computational agent is trying to learn to generate from this language; we say that the agent generates from $L$ in the limit if after some finite point in the enumeration of $L$, the agent is able to produce new elements that come exclusively from $L$ and that have not yet been presented by the adversary. Our main result is that there is an agent that is able to generate in the limit for every countable list of candidate languages. This contrasts dramatically with negative results due to Gold and Angluin in a well-studied model of language learning where the goal is to identify an unknown language from samples; the difference between these results suggests that identifying a language is a fundamentally different problem than generating from it.

In this paper, we introduce a novel theoretical framework for multi-task regression, applying random matrix theory to provide precise performance estimations, under high-dimensional, non-Gaussian data distributions. We formulate a multi-task optimization problem as a regularization technique to enable single-task models to leverage multi-task learning information. We derive a closed-form solution for multi-task optimization in the context of linear models. Our analysis provides valuable insights by linking the multi-task learning performance to various model statistics such as raw data covariances, signal-generating hyperplanes, noise levels, as well as the size and number of datasets. We finally propose a consistent estimation of training and testing errors, thereby offering a robust foundation for hyperparameter optimization in multi-task regression scenarios. Experimental validations on both synthetic and real-world datasets in regression and multivariate time series forecasting demonstrate improvements on univariate models, incorporating our method into the training loss and thus leveraging multivariate information.

In this work we investigate the generalization performance of random feature ridge regression (RFRR). Our main contribution is a general deterministic equivalent for the test error of RFRR. Specifically, under a certain concentration property, we show that the test error is well approximated by a closed-form expression that only depends on the feature map eigenvalues. Notably, our approximation guarantee is non-asymptotic, multiplicative, and independent of the feature map dimension---allowing for infinite-dimensional features. We expect this deterministic equivalent to hold broadly beyond our theoretical analysis, and we empirically validate its predictions on various real and synthetic datasets. As an application, we derive sharp excess error rates under standard power-law assumptions of the spectrum and target decay. In particular, we provide a tight result for the smallest number of features achieving optimal minimax error rate.

Diffusion models have become a leading method for generative modeling of both image and scientific data. As these models are costly to train and \emph{evaluate}, reducing the inference cost for diffusion models remains a major goal. Inspired by the recent empirical success in accelerating diffusion models via the parallel sampling technique~\cite{shih2024parallel}, we propose to divide the sampling process into $\mathcal{O}(1)$ blocks with parallelizable Picard iterations within each block. Rigorous theoretical analysis reveals that our algorithm achieves $\widetilde{\mathcal{O}}(\mathrm{poly} \log d)$ overall time complexity, marking \emph{the first implementation with provable sub-linear complexity w.r.t. the data dimension $d$}. Our analysis is based on a generalized version of Girsanov's theorem and is compatible with both the SDE and probability flow ODE implementations. Our results shed light on the potential of fast and efficient sampling of high-dimensional data on fast-evolving modern large-memory GPU clusters.

Video causal reasoning aims to achieve a high-level understanding of video content from a causal perspective. However, current video reasoning tasks are limited in scope, primarily executed in a question-answering paradigm and focusing on short videos containing only a single event and simple causal relationships, lacking comprehensive and structured causality analysis for videos with multiple events. To fill this gap, we introduce a new task and dataset, Multi-Event Causal Discovery (MECD). It aims to uncover the causal relationships between events distributed chronologically across long videos. Given visual segments and textual descriptions of events, MECD requires identifying the causal associations between these events to derive a comprehensive, structured event-level video causal diagram explaining why and how the final result event occurred. To address MECD, we devise a novel framework inspired by the Granger Causality method, using an efficient mask-based event prediction model to perform an Event Granger Test, which estimates causality by comparing the predicted result event when premise events are masked versus unmasked. Furthermore, we integrate causal inference techniques such as front-door adjustment and counterfactual inference to address challenges in MECD like causality confounding and illusory causality. Experiments validate the effectiveness of our framework in providing causal relationships in multi-event videos, outperforming GPT-4o and VideoLLaVA by 5.7% and 4.1%, respectively.

Obtaining effective representations of DNA sequences is crucial for genome analysis. Metagenomic binning, for instance, relies on genome representations to cluster complex mixtures of DNA fragments from biological samples with the aim of determining their microbial compositions. In this paper, we revisit k-mer-based representations of genomes and provide a theoretical analysis of their use in representation learning. Based on the analysis, we propose a lightweight and scalable model for performing metagenomic binning at the genome read level, relying only on the k-mer compositions of the DNA fragments. We compare the model to recent genome foundation models and demonstrate that while the models are comparable in performance, the proposed model is significantly more effective in terms of scalability, a crucial aspect for performing metagenomic binning of real-world data sets.

We study the problem of PAC learning $\gamma$-margin halfspaces with Massart noise. We propose a simple proper learning algorithm, the Perspectron, that has sample complexity $\widetilde{O}((\epsilon\gamma)^{-2})$ and achieves classification error at most $\eta+\epsilon$ where $\eta$ is the Massart noise rate. Prior works (DGT19, CKMY20) came with worse sample complexity guarantees (in both $\epsilon$ and $\gamma$) or could only handle random classification noise (DDKWZ23,KITBMV23)--- a much milder noise assumption. We also show that our results extend to the more challenging setting of learning generalized linear models with a known link function under Massart noise, achieving a similar sample complexity to the halfspace case. This significantly improves upon the prior state-of-the-art in this setting due to CKMY20, who introduced this model.

Selling a single item to $n$ self-interested bidders is a fundamental problem in economics, where the two objectives typically considered are welfare maximization and revenue maximization. Since the optimal auctions are often impractical and do not work for sequential bidders, posted pricing auctions, where fixed prices are set for the item for different bidders, have emerged as a practical and effective alternative. This paper investigates how many samples are needed from bidders' value distributions to find near-optimal posted prices, considering both independent and correlated bidder distributions, and welfare versus revenue maximization. We obtain matching upper and lower bounds (up to logarithmic terms) on the sample complexity for all these settings.

One-shot Federated Learning (OFL) significantly reduces communication costs in FL by aggregating trained models only once. However, the performance of advanced OFL methods is far behind the normal FL. In this work, we provide a causal view to find that this performance drop of OFL methods comes from the isolation problem, which means that local isolatedly trained models in OFL may easily fit to spurious correlations due to the data heterogeneity. From the causal perspective, we observe that the spurious fitting can be alleviated by augmenting intermediate features from other clients. Built upon our observation, we propose a novel learning approach to endow OFL with superb performance and low communication and storage costs, termed as FuseFL. Specifically, FuseFL decomposes neural networks into several blocks, and progressively trains and fuses each block following a bottom-up manner for feature augmentation, introducing no additional communication costs. Comprehensive experiments demonstrate that FuseFL outperforms existing OFL and ensemble FL by a significant margin. We conduct comprehensive experiments to show that FuseFL supports high scalability of clients, heterogeneous model training, and low memory costs. Our work is the first attempt using causality to analyze and alleviate data heterogeneity of OFL.