NeurIPS 2024 论文列表

Large Language Models (LLMs) have demonstrated impressive capabilities across a range of scientific tasks including mathematics, physics, and chemistry. Despite their successes, the effectiveness of LLMs in handling complex statistical tasks remains systematically under-explored. To bridge this gap, we introduce StatQA, a new benchmark designed for statistical analysis tasks. StatQA comprises 11,623 examples tailored to evaluate LLMs' proficiency in specialized statistical tasks and their applicability assessment capabilities, particularly for hypothesis testing methods. We systematically experiment with representative LLMs using various prompting strategies and show that even state-of-the-art models such as GPT-4o achieve a best performance of only 64.83%, indicating significant room for improvement. Notably, while open-source LLMs (e.g. LLaMA-3) show limited capability, those fine-tuned ones exhibit marked improvements, outperforming all in-context learning-based methods (e.g. GPT-4o). Moreover, our comparative human experiments highlight a striking contrast in error types between LLMs and humans: LLMs primarily make applicability errors, whereas humans mostly make statistical task confusion errors. This divergence highlights distinct areas of proficiency and deficiency, suggesting that combining LLM and human expertise could lead to complementary strengths, inviting further investigation into their collaborative potential. Our source code and data are available at https://statqa.github.io/.

Uncertainty quantification in Large Language Models (LLMs) is crucial for applications where safety and reliability are important. In particular, uncertainty can be used to improve the trustworthiness of LLMs by detecting factually incorrect model responses, commonly called hallucinations. Critically, one should seek to capture the model's semantic uncertainty, i.e., the uncertainty over the meanings of LLM outputs, rather than uncertainty over lexical or syntactic variations that do not affect answer correctness. To address this problem, we propose Kernel Language Entropy (KLE), a novel method for uncertainty estimation in white- and black-box LLMs. KLE defines positive semidefinite unit trace kernels to encode the semantic similarities of LLM outputs and quantifies uncertainty using the von Neumann entropy. It considers pairwise semantic dependencies between answers (or semantic clusters), providing more fine-grained uncertainty estimates than previous methods based on hard clustering of answers. We theoretically prove that KLE generalizes the previous state-of-the-art method called semantic entropy and empirically demonstrate that it improves uncertainty quantification performance across multiple natural language generation datasets and LLM architectures.

Transformer models excel at capturing long-range dependencies in sequential data, but lack explicit mechanisms to leverage structural patterns inherent in fixed-length input sequences. In this paper, we propose a novel sequence structure learning and modulation approach that endows Transformers with the ability to model and utilize such fixed-sequence structural properties for improved performance on inertial pose estimation tasks. Specifically, our method introduces a Sequence Structure Module (SSM) that utilizes structural information of fixed-length inertial sensor readings to adjust the input features of transformers. Such structural information can either be acquired by learning or specified based on users' prior knowledge. To justify the prospect of our approach, we show that i) injecting spatial structural information of IMUs/joints learned from data improves accuracy, while ii) injecting temporal structural information based on smooth priors reduces jitter (i.e., improves steadiness), in a spatial-temporal transformer solution for inertial pose estimation. Extensive experiments across multiple benchmark datasets demonstrate the superiority of our approach against state-of-the-art methods and has the potential to advance the design of the transformer architecture for fixed-length sequences.

Domain generalizable person re-identification (DG re-ID) aims to learn discriminative representations that are robust to distributional shifts. While data augmentation is a straightforward solution to improve generalization, certain augmentations exhibit a polarized effect in this task, enhancing in-distribution performance while deteriorating out-of-distribution performance. In this paper, we investigate this phenomenon and reveal that it leads to sparse representation spaces with reduced uniformity. To address this issue, we propose a novel framework, Balancing Alignment and Uniformity (BAU), which effectively mitigates this effect by maintaining a balance between alignment and uniformity. Specifically, BAU incorporates alignment and uniformity losses applied to both original and augmented images and integrates a weighting strategy to assess the reliability of augmented samples, further improving the alignment loss. Additionally, we introduce a domain-specific uniformity loss that promotes uniformity within each source domain, thereby enhancing the learning of domain-invariant features. Extensive experimental results demonstrate that BAU effectively exploits the advantages of data augmentation, which previous studies could not fully utilize, and achieves state-of-the-art performance without requiring complex training procedures. The code is available at https://github.com/yoonkicho/BAU.

We study the limits and capability of public-data assisted differentially private (PA-DP) algorithms. Specifically, we focus on the problem of stochastic convex optimization (SCO) with either labeled or unlabeled public data. For complete/labeled public data, we show that any $(\epsilon,\delta)$-PA-DP has excess risk $\tilde{\Omega}\big(\min(\frac{1}{\sqrt{n_{\text{pub}}}},\frac{1}{\sqrt{n}}+\frac{\sqrt{d}}{n\epsilon} ) \big)$, where $d$ is the dimension, ${n_{\text{pub}}}$ is the number of public samples, ${n_{\text{priv}}}$ is the number of private samples, and $n={n_{\text{pub}}}+{n_{\text{priv}}}$. These lower bounds are established via our new lower bounds for PA-DP mean estimation, which are of a similar form. Up to constant factors, these lower bounds show that the simple strategy of either treating all data as private or discarding the private data, is optimal. We also study PA-DP supervised learning with \textit{unlabeled} public samples. In contrast to our previous result, we here show novel methods for leveraging public data in private supervised learning. For generalized linear models (GLM) with unlabeled public data, we show an efficient algorithm which, given $\tilde{O}({n_{\text{priv}}}\epsilon)$ unlabeled public samples, achieves the dimension independent rate $\tilde{O}\big(\frac{1}{\sqrt{{n_{\text{priv}}}}} + \frac{1}{\sqrt{{n_{\text{priv}}}\epsilon}}\big)$. We develop new lower bounds for this setting which shows that this rate cannot be improved with more public samples, and any fewer public samples leads to a worse rate. Finally, we provide extensions of this result to general hypothesis classes with finite \textit{fat-shattering dimension} with applications to neural networks and non-Euclidean geometries.

Linear temporal logic (LTL) and, more generally, $\omega$-regular objectives are alternatives to the traditional discount sum and average reward objectives in reinforcement learning (RL), offering the advantage of greater comprehensibility and hence explainability. In this work, we study the relationship between these objectives. Our main result is that each RL problem for $\omega$-regular objectives can be reduced to a limit-average reward problem in an optimality-preserving fashion, via (finite-memory) reward machines. Furthermore, we demonstrate the efficacy of this approach by showing that optimal policies for limit-average problems can be found asymptotically by solving a sequence of discount-sum problems approximately. Consequently, we resolve an open problem: optimal policies for LTL and $\omega$-regular objectives can be learned asymptotically.

A core task in multi-modal learning is to integrate information from multiple feature spaces (e.g., text and audio), offering modality-invariant essential representations of data. Recent research showed that, classical tools such as canonical correlation analysis (CCA) provably identify the shared components up to minor ambiguities, when samples in each modality are generated from a linear mixture of shared and private components. Such identifiability results were obtained under the condition that the cross-modality samples are aligned/paired according to their shared information. This work takes a step further, investigating shared component identifiability from multi-modal linear mixtures where cross-modality samples are unaligned. A distribution divergence minimization-based loss is proposed, under which a suite of sufficient conditions ensuring identifiability of the shared components are derived. Our conditions are based on cross-modality distribution discrepancy characterization and density-preserving transform removal, which are much milder than existing studies relying on independent component analysis. More relaxed conditions are also provided via adding reasonable structural constraints, motivated by available side information in various applications. The identifiability claims are thoroughly validated using synthetic and real-world data.

This paper presents a comprehensive analysis of the growth rate of $H$-consistency bounds (and excess error bounds) for various surrogate losses used in classification. We prove a square-root growth rate near zero for smooth margin-based surrogate losses in binary classification, providing both upper and lower bounds under mild assumptions. This result also translates to excess error bounds. Our lower bound requires weaker conditions than those in previous work for excess error bounds, and our upper bound is entirely novel. Moreover, we extend this analysis to multi-class classification with a series of novel results, demonstrating a universal square-root growth rate for smooth *comp-sum* and *constrained losses*, covering common choices for training neural networks in multi-class classification. Given this universal rate, we turn to the question of choosing among different surrogate losses. We first examine how $H$-consistency bounds vary across surrogates based on the number of classes. Next, ignoring constants and focusing on behavior near zero, we identify *minimizability gaps* as the key differentiating factor in these bounds. Thus, we thoroughly analyze these gaps, to guide surrogate loss selection, covering: comparisons across different comp-sum losses, conditions where gaps become zero, and general conditions leading to small gaps. Additionally, we demonstrate the key role of minimizability gaps in comparing excess error bounds and $H$-consistency bounds.

With the rapidly increasing number of satellites in space and their enhanced capabilities, the amount of earth observation images collected by satellites is exceeding the transmission limits of satellite-to-ground links. Although existing learned image compression solutions achieve remarkable performance by using a sophisticated encoder to extract fruitful features as compression and using a decoder to reconstruct. It is still hard to directly deploy those complex encoders on current satellites' embedded GPUs with limited computing capability and power supply to compress images in orbit. In this paper, we propose COSMIC, a simple yet effective learned compression solution to transmit satellite images. We first design a lightweight encoder (i.e. reducing FLOPs by 2.5~5X) on satellite to achieve a high image compression ratio to save satellite-to-ground links. Then, for reconstructions on the ground, to deal with the feature extraction ability degradation due to simplifying encoders, we propose a diffusion-based model to compensate image details when decoding. Our insight is that satellite's earth observation photos are not just images but indeed multi-modal data with a nature of Text-to-Image pairing since they are collected with rich sensor data (e.g. coordinates, timestep, etc.) that can be used as the condition for diffusion generation. Extensive experiments show that COSMIC outperforms state-of-the-art baselines on both perceptual and distortion metrics.

Large Language Models (LLMs) are being deployed across various domains today. However, their capacity to solve Capture the Flag (CTF) challenges in cybersecurity has not been thoroughly evaluated. To address this, we develop a novel method to assess LLMs in solving CTF challenges by creating a scalable, open-source benchmark database specifically designed for these applications. This database includes metadata for LLM testing and adaptive learning, compiling a diverse range of CTF challenges from popular competitions. Utilizing the advanced function calling capabilities of LLMs, we build a fully automated system with an enhanced workflow and support for external tool calls. Our benchmark dataset and automated framework allow us to evaluate the performance of five LLMs, encompassing both black-box and open-source models. This work lays the foundation for future research into improving the efficiency of LLMs in interactive cybersecurity tasks and automated task planning. By providing a specialized benchmark, our project offers an ideal platform for developing, testing, and refining LLM-based approaches to vulnerability detection and resolution. Evaluating LLMs on these challenges and comparing with human performance yields insights into their potential for AI-driven cybersecurity solutions to perform real-world threat management. We make our benchmark dataset open source to public https://github.com/NYU-LLM-CTF/NYU_CTF_Bench along with our playground automated framework https://github.com/NYU-LLM-CTF/llm_ctf_automation.

Sequential recommendation systems predict the next interaction item based on users' past interactions, aligning recommendations with individual preferences. Leveraging the strengths of Large Language Models (LLMs) in knowledge comprehension and reasoning, recent approaches are eager to apply LLMs to sequential recommendation. A common paradigm is converting user behavior sequences into instruction data, and fine-tuning the LLM with parameter-efficient fine-tuning (PEFT) methods like Low-Rank Adaption (LoRA). However, the uniform application of LoRA across diverse user behaviors is insufficient to capture individual variability, resulting in negative transfer between disparate sequences. To address these challenges, we propose Instance-wise LoRA (iLoRA). We innovatively treat the sequential recommendation task as a form of multi-task learning, integrating LoRA with the Mixture of Experts (MoE) framework. This approach encourages different experts to capture various aspects of user behavior. Additionally, we introduce a sequence representation guided gate function that generates customized expert participation weights for each user sequence, which allows dynamic parameter adjustment for instance-wise recommendations. In sequential recommendation, iLoRA achieves an average relative improvement of 11.4\% over basic LoRA in the hit ratio metric, with less than a 1\% relative increase in trainable parameters. Extensive experiments on three benchmark datasets demonstrate the effectiveness of iLoRA, highlighting its superior performance compared to existing methods in mitigating negative transfer and improving recommendation accuracy. Our data and code are available at https://github.com/AkaliKong/iLoRA.

The vertebrate hippocampus is thought to use recurrent connectivity in area CA3 to support episodic memory recall from partial cues. This brain area also contains place cells, whose location-selective firing fields implement maps supporting spatial memory. Here we show that place cells emerge in networks trained to remember temporally continuous sensory episodes. We model CA3 as a recurrent autoencoder that recalls and reconstructs sensory experiences from noisy and partially occluded observations by agents traversing simulated arenas. The agents move in realistic trajectories modeled from rodents and environments are modeled as continuously varying, high-dimensional, sensory experience maps (spatially smoothed Gaussian random fields). Training our autoencoder to accurately pattern-complete and reconstruct sensory experiences with a constraint on total activity causes spatially localized firing fields, i.e., place cells, to emerge in the encoding layer. The emergent place fields reproduce key aspects of hippocampal phenomenology: a) remapping (maintenance of and reversion to distinct learned maps in different environments), implemented via repositioning of experience manifolds in the network’s hidden layer, b) orthogonality of spatial representations in different arenas, c) robust place field emergence in differently shaped rooms, with single units showing multiple place fields in large or complex spaces, and (d) slow representational drift of place fields. We argue that these results arise because continuous traversal of space makes sensory experience temporally continuous. We make testable predictions: a) rapidly changing sensory context will disrupt place fields, b) place fields will form even if recurrent connections are blocked, but reversion to previously learned representations upon remapping will be abolished, c) the dimension of temporally smooth experience sets the dimensionality of place fields, including during virtual navigation of abstract spaces.

Optimizing complex and high-dimensional black-box functions is ubiquitous in science and engineering fields. Unfortunately, the online evaluation of these functions is restricted due to time and safety constraints in most cases. In offline model-based optimization (MBO), we aim to find a design that maximizes the target function using only a pre-existing offline dataset. While prior methods consider forward or inverse approaches to address the problem, these approaches are limited by conservatism and the difficulty of learning highly multi-modal mappings. Recently, there has been an emerging paradigm of learning to improve solutions with synthetic trajectories constructed from the offline dataset. In this paper, we introduce a novel conditional generative modeling approach to produce trajectories toward high-scoring regions. First, we construct synthetic trajectories toward high-scoring regions using the dataset while injecting locality bias for consistent improvement directions. Then, we train a conditional diffusion model to generate trajectories conditioned on their scores. Lastly, we sample multiple trajectories from the trained model with guidance to explore high-scoring regions beyond the dataset and select high-fidelity designs among generated trajectories with the proxy function. Extensive experiment results demonstrate that our method outperforms competitive baselines on Design-Bench and its practical variants. The code is publicly available in \url{https://github.com/dbsxodud-11/GTG}.

Data-driven artificial intelligence (AI) models have made significant advancements in weather forecasting, particularly in medium-range and nowcasting. However, most data-driven weather forecasting models are black-box systems that focus on learning data mapping rather than fine-grained physical evolution in the time dimension. Consequently, the limitations in the temporal scale of datasets prevent these models from forecasting at finer time scales. This paper proposes a physics-AI hybrid model (i.e., WeatherGFT) which generalizes weather forecasts to finer-grained temporal scales beyond training dataset. Specifically, we employ a carefully designed PDE kernel to simulate physical evolution on a small time scale (e.g., 300 seconds) and use a parallel neural networks with a learnable router for bias correction. Furthermore, we introduce a lead time-aware training framework to promote the generalization of the model at different lead times. The weight analysis of physics-AI modules indicates that physics conducts major evolution while AI performs corrections adaptively. Extensive experiments show that WeatherGFT trained on an hourly dataset, effectively generalizes forecasts across multiple time scales, including 30-minute, which is even smaller than the dataset's temporal resolution.

In-context learning (ICL) refers to a remarkable capability of pretrained large language models, which can learn a new task given a few examples during inference. However, theoretical understanding of ICL is largely under-explored, particularly whether transformers can be trained to generalize to unseen examples in a prompt, which will require the model to acquire contextual knowledge of the prompt for generalization. This paper investigates the training dynamics of transformers by gradient descent through the lens of non-linear regression tasks. The contextual generalization here can be attained via learning the template function for each task in-context, where all template functions lie in a linear space with $m$ basis functions. We analyze the training dynamics of one-layer multi-head transformers to {in-contextly} predict unlabeled inputs given partially labeled prompts, where the labels contain Gaussian noise and the number of examples in each prompt are not sufficient to determine the template. Under mild assumptions, we show that the training loss for a one-layer multi-head transformer converges linearly to a global minimum. Moreover, the transformer effectively learns to perform ridge regression over the basis functions. To our knowledge, this study is the first provable demonstration that transformers can learn contextual (i.e., template) information to generalize to both unseen examples and tasks when prompts contain only a small number of query-answer pairs.

This work introduces Variational Diffusion Distillation (VDD), a novel method that distills denoising diffusion policies into Mixtures of Experts (MoE) through variational inference. Diffusion Models are the current state-of-the-art in generative modeling due to their exceptional ability to accurately learn and represent complex, multi-modal distributions. This ability allows Diffusion Models to replicate the inherent diversity in human behavior, making them the preferred models in behavior learning such as Learning from Human Demonstrations (LfD). However, diffusion models come with some drawbacks, including the intractability of likelihoods and long inference times due to their iterative sampling process. The inference times, in particular, pose a significant challenge to real-time applications such as robot control. In contrast, MoEs effectively address the aforementioned issues while retaining the ability to represent complex distributions but are notoriously difficult to train. VDD is the first method that distills pre-trained diffusion models into MoE models, and hence, combines the expressiveness of Diffusion Models with the benefits of Mixture Models. Specifically, VDD leverages a decompositional upper bound of the variational objective that allows the training of each expert separately, resulting in a robust optimization scheme for MoEs. VDD demonstrates across nine complex behavior learning tasks, that it is able to: i) accurately distill complex distributions learned by the diffusion model, ii) outperform existing state-of-the-art distillation methods, and iii) surpass conventional methods for training MoE. The code and videos are available at https://intuitive-robots.github.io/vdd-website.

Lumina-T2X is a nascent family of Flow-based Large Diffusion Transformers (Flag-DiT) that establishes a unified framework for transforming noise into various modalities, such as images and videos, conditioned on text instructions. Despite its promising capabilities, Lumina-T2X still encounters challenges including training instability, slow inference, and extrapolation artifacts. In this paper, we present Lumina-Next, an improved version of Lumina-T2X, showcasing stronger generation performance with increased training and inference efficiency. We begin with a comprehensive analysis of the Flag-DiT architecture and identify several suboptimal components, which we address by introducing the Next-DiT architecture with 3D RoPE and sandwich normalizations. To enable better resolution extrapolation, we thoroughly compare different context extrapolation methods applied to text-to-image generation with 3D RoPE, and propose Frequency- and Time-Aware Scaled RoPE tailored for diffusion transformers. Additionally, we introduce a sigmoid time discretization schedule for diffusion sampling, which achieves high-quality generation in 5-10 steps combined with higher-order ODE solvers. Thanks to these improvements, Lumina-Next not only improves the basic text-to-image generation but also demonstrates superior resolution extrapolation capabilities as well as multilingual generation using decoder-based LLMs as the text encoder, all in a zero-shot manner. To further validate Lumina-Next as a versatile generative framework, we instantiate it on diverse tasks including visual recognition, multi-views, audio, music, and point cloud generation, showcasing strong performance across these domains. By releasing all codes and model weights at https://github.com/Alpha-VLLM/Lumina-T2X, we aim to advance the development of next-generation generative AI capable of universal modeling.

Model-X knockoff has garnered significant attention among various feature selection methods due to its guarantees for controlling the false discovery rate (FDR). Since its introduction in parametric design, knockoff techniques have evolved to handle arbitrary data distributions using deep learning-based generative models. However, we have observed limitations in the current implementations of the deep Model-X knockoff framework. Notably, the "swap property" that knockoffs require often faces challenges at the sample level, resulting in diminished selection power. To address these issues, we develop "Deep Dependency Regularized Knockoff (DeepDRK)," a distribution-free deep learning method that effectively balances FDR and power. In DeepDRK, we introduce a novel formulation of the knockoff model as a learning problem under multi-source adversarial attacks. By employing an innovative perturbation technique, we achieve lower FDR and higher power. Our model outperforms existing benchmarks across synthetic, semi-synthetic, and real-world datasets, particularly when sample sizes are small and data distributions are non-Gaussian.

Top-down Bird's Eye View (BEV) maps are a popular perception representation for ground robot navigation due to their richness and flexibility for downstream tasks. While recent methods have shown promise for predicting BEV maps from First-Person View (FPV) images, their generalizability is limited to small regions captured by current autonomous vehicle-based datasets. In this context, we show that a more scalable approach towards generalizable map prediction can be enabled by using two large-scale crowd-sourced mapping platforms, Mapillary for FPV images and OpenStreetMap for BEV semantic maps. We introduce Map It Anywhere (MIA), a data engine that enables seamless curation and modeling of labeled map prediction data from existing open-source map platforms. Using our MIA data engine, we display the ease of automatically collecting a 1.2 million FPV & BEV pair dataset encompassing diverse geographies, landscapes, environmental factors, camera models & capture scenarios. We further train a simple camera model-agnostic model on this data for BEV map prediction. Extensive evaluations using established benchmarks and our dataset show that the data curated by MIA enables effective pretraining for generalizable BEV map prediction, with zero-shot performance far exceeding baselines trained on existing datasets by 35%. Our analysis highlights the promise of using large-scale public maps for developing & testing generalizable BEV perception, paving the way for more robust autonomous navigation. Website: mapitanywhere.github.io