NeurIPS 2024 论文列表

We establish a new theoretical framework for learning under multi-class, instance-dependent label noise. This framework casts learning with label noise as a form of domain adaptation, in particular, domain adaptation under posterior drift. We introduce the concept of \emph{relative signal strength} (RSS), a pointwise measure that quantifies the transferability from noisy to clean posterior. Using RSS, we establish nearly matching upper and lower bounds on the excess risk. Our theoretical findings support the simple \emph{Noise Ignorant Empirical Risk Minimization (NI-ERM)} principle, which minimizes empirical risk while ignoring label noise. Finally, we translate this theoretical insight into practice: by using NI-ERM to fit a linear classifier on top of a self-supervised feature extractor, we achieve state-of-the-art performance on the CIFAR-N data challenge.

Increased training parameters have enabled large pre-trained models to excel in various downstream tasks. Nevertheless, the extensive computational requirements associated with these models hinder their widespread adoption within the community. We focus on Knowledge Distillation (KD), where a compact student model is trained to mimic a larger teacher model, facilitating the transfer of knowledge of large models. In contrast to much of the previous work, we scale up the parameters of the student model during training, to benefit from over-parameterization without increasing the inference latency. In particular, we propose a tensor decomposition strategy that effectively over-parameterizes the relatively small student model through an efficient and nearly lossless decomposition of its parameter matrices into higher-dimensional tensors. To ensure efficiency, we further introduce a tensor constraint loss to align the high-dimensional tensors between the student and teacher models. Comprehensive experiments validate the significant performance enhancement by our approach in various KD tasks, covering computer vision and natural language processing areas. Our code is available at https://github.com/intell-sci-comput/OPDF.

This paper aims to overcome the ``lost-in-the-middle'' challenge of large language models (LLMs). While recent advancements have successfully enabled LLMs to perform stable language modeling with up to 4 million tokens, the persistent difficulty faced by most LLMs in identifying relevant information situated in the middle of the context has not been adequately tackled. To address this problem, this paper introduces Multi-scale Positional Encoding (Ms-PoE) which is a simple yet effective plug-and-play approach to enhance the capacity of LLMs to handle the relevant information located in the middle of the context, without fine-tuning or introducing any additional overhead. Ms-PoE leverages the position indice rescaling to relieve the long-term decay effect introduced by RoPE, while meticulously assigning distinct scaling ratios to different attention heads to preserve essential knowledge learned during the pre-training step, forming a multi-scale context fusion from short to long distance. Extensive experiments with a wide range of LLMs demonstrate the efficacy of our approach. Notably, Ms-PoE achieves an average accuracy gain of up to 3.8 on the Zero-SCROLLS benchmark over the original LLMs. Code will be made public upon acceptence.

The computational challenges of Large Language Model (LLM) inference remain a significant barrier to their widespread deployment, especially as prompt lengths continue to increase. Due to the quadratic complexity of the attention computation, it takes 30 minutes for an 8B LLM to process a prompt of 1M tokens (i.e., the pre-filling stage) on a single A100 GPU. Existing methods for speeding up prefilling often fail to maintain acceptable accuracy or efficiency when applied to long-context LLMs. To address this gap, we introduce MInference (Milliontokens Inference), a sparse calculation method designed to accelerate pre-filling of long-sequence processing. Specifically, we identify three unique patterns in long-context attention matrices-the A-shape, Vertical-Slash, and Block-Sparse-that can be leveraged for efficient sparse computation on GPUs. We determine the optimal pattern for each attention head offline and dynamically build sparse indices based on the assigned pattern during inference. With the pattern and sparse indices, we perform efficient sparse attention calculations via our optimized GPU kernels to significantly reduce the latency in the pre-filling stage of longcontext LLMs. Our proposed technique can be directly applied to existing LLMs without any modifications to the pre-training setup or additional fine-tuning. By evaluating on a wide range of downstream tasks, including InfiniteBench, RULER, PG-19, and Needle In A Haystack, and models including LLaMA-3-1M, GLM-4-1M, Yi-200K, Phi-3-128K, and Qwen2-128K, we demonstrate that MInference effectively reduces inference latency by up to 10x for pre-filling on an A100, while maintaining accuracy. Our code is available at https://aka.ms/MInference.

Neural networks continue to struggle with compositional generalization, and this issue is exacerbated by a lack of massive pre-training. One successful approach for developing neural systems which exhibit human-like compositional generalization is $\textit{hybrid}$ neurosymbolic techniques. However, these techniques run into the core issues that plague symbolic approaches to AI: scalability and flexibility. The reason for this failure is that at their core, hybrid neurosymbolic models perform symbolic computation and relegate the scalable and flexible neural computation to parameterizing a symbolic system. We investigate a $\textit{unified}$ neurosymbolic system where transformations in the network can be interpreted simultaneously as both symbolic and neural computation. We extend a unified neurosymbolic architecture called the Differentiable Tree Machine in two central ways. First, we significantly increase the model’s efficiency through the use of sparse vector representations of symbolic structures. Second, we enable its application beyond the restricted set of tree2tree problems to the more general class of seq2seq problems. The improved model retains its prior generalization capabilities and, since there is a fully neural path through the network, avoids the pitfalls of other neurosymbolic techniques that elevate symbolic computation over neural computation.

Visual grounding is a common vision task that involves grounding descriptive sentences to the corresponding regions of an image. Most existing methods use independent image-text encoding and apply complex hand-crafted modules or encoder-decoder architectures for modal interaction and query reasoning. However, their performance significantly drops when dealing with complex textual expressions. This is because the former paradigm only utilizes limited downstream data to fit the multi-modal feature fusion. Therefore, it is only effective when the textual expressions are relatively simple. In contrast, given the wide diversity of textual expressions and the uniqueness of downstream training data, the existing fusion module, which extracts multimodal content from a visual-linguistic context, has not been fully investigated. In this paper, we present a simple yet robust transformer-based framework, SimVG, for visual grounding. Specifically, we decouple visual-linguistic feature fusion from downstream tasks by leveraging existing multimodal pre-trained models and incorporating additional object tokens to facilitate deep integration of downstream and pre-training tasks. Furthermore, we design a dynamic weight-balance distillation method in the multi-branch synchronous learning process to enhance the representation capability of the simpler branch. This branch only consists of a lightweight MLP, which simplifies the structure and improves reasoning speed. Experiments on six widely used VG datasets, i.e., RefCOCO/+/g, ReferIt, Flickr30K, and GRefCOCO, demonstrate the superiority of SimVG. Finally, the proposed method not only achieves improvements in efficiency and convergence speed but also attains new state-of-the-art performance on these benchmarks. Codes and models are available at https://github.com/Dmmm1997/SimVG.

Generative text-to-image models enable us to synthesize unlimited amounts of images in a controllable manner, spurring many recent efforts to train vision models with synthetic data. However, every synthetic image ultimately originates from the upstream data used to train the generator. Does the intermediate generator provide additional information over directly training on relevant parts of the upstream data? Grounding this question in the setting of image classification, we compare finetuning on task-relevant, targeted synthetic data generated by Stable Diffusion---a generative model trained on the LAION-2B dataset---against finetuning on targeted real images retrieved directly from LAION-2B. We show that while synthetic data can benefit some downstream tasks, it is universally matched or outperformed by real data from the simple retrieval baseline. Our analysis suggests that this underperformance is partially due to generator artifacts and inaccurate task-relevant visual details in the synthetic images. Overall, we argue that targeted retrieval is a critical baseline to consider when training with synthetic data---a baseline that current methods do not yet surpass. We release code, data, and models at [https://github.com/scottgeng00/unmet-promise/](https://github.com/scottgeng00/unmet-promise).

Video Anomaly Detection (VAD) finds widespread applications in security surveillance, traffic monitoring, industrial monitoring, and healthcare. Despite extensive research efforts, there remains a lack of concise reviews that provide insightful guidance for researchers. Such reviews would serve as quick references to grasp current challenges, research trends, and future directions. In this paper, we present such a review, examining models and datasets from various perspectives. We emphasize the critical relationship between model and dataset, where the quality and diversity of datasets profoundly influence model performance, and dataset development adapts to the evolving needs of emerging approaches. Our review identifies practical issues, including the absence of comprehensive datasets with diverse scenarios. To address this, we introduce a new dataset, Multi-Scenario Anomaly Detection (MSAD), comprising 14 distinct scenarios captured from various camera views. Our dataset has diverse motion patterns and challenging variations, such as different lighting and weather conditions, providing a robust foundation for training superior models. We conduct an in-depth analysis of recent representative models using MSAD and highlight its potential in addressing the challenges of detecting anomalies across diverse and evolving surveillance scenarios.

Modeling stochastic and irregularly sampled time series is a challenging problem found in a wide range of applications, especially in medicine. Neural stochastic differential equations (Neural SDEs) are an attractive modeling technique for this problem, which parameterize the drift and diffusion terms of an SDE with neural networks. However, current algorithms for training Neural SDEs require backpropagation through the SDE dynamics, greatly limiting their scalability and stability. To address this, we propose **Trajectory Flow Matching** (TFM), which trains a Neural SDE in a *simulation-free* manner, bypassing backpropagation through the dynamics. TFM leverages the flow matching technique from generative modeling to model time series. In this work we first establish necessary conditions for TFM to learn time series data. Next, we present a reparameterization trick which improves training stability. Finally, we adapt TFM to the clinical time series setting, demonstrating improved performance on four clinical time series datasets both in terms of absolute performance and uncertainty prediction, a crucial parameter in this setting.

Hierarchical clustering has usually been addressed by discrete optimization using heuristics or continuous optimization of relaxed scores for hierarchies. In this work, we propose to optimize expected scores under a probabilistic model over hierarchies. (1) We show theoretically that the global optimal values of the expected Dasgupta cost and Tree-Sampling divergence (TSD), two unsupervised metrics for hierarchical clustering, are equal to the optimal values of their discrete counterparts contrary to some relaxed scores. (2) We propose Expected Probabilistic Hierarchies (EPH), a probabilistic model to learn hierarchies in data by optimizing expected scores. EPH uses differentiable hierarchy sampling enabling end-to-end gradient descent based optimization, and an unbiased subgraph sampling approach to scale to large datasets. (3) We evaluate EPH on synthetic and real-world datasets including vector and graph datasets. EPH outperforms all other approaches quantitatively and provides meaningful hierarchies in qualitative evaluations.

3D Gaussian splatting (3DGS) has shown promising results in image rendering and surface reconstruction. However, its potential in volumetric reconstruction tasks, such as X-ray computed tomography, remains under-explored. This paper introduces R$^2$-Gaussian, the first 3DGS-based framework for sparse-view tomographic reconstruction. By carefully deriving X-ray rasterization functions, we discover a previously unknown \emph{integration bias} in the standard 3DGS formulation, which hampers accurate volume retrieval. To address this issue, we propose a novel rectification technique via refactoring the projection from 3D to 2D Gaussians. Our new method presents three key innovations: (1) introducing tailored Gaussian kernels, (2) extending rasterization to X-ray imaging, and (3) developing a CUDA-based differentiable voxelizer. Experiments on synthetic and real-world datasets demonstrate that our method outperforms state-of-the-art approaches in accuracy and efficiency. Crucially, it delivers high-quality results in 4 minutes, which is 12$\times$ faster than NeRF-based methods and on par with traditional algorithms.

Diffusion models have demonstrated competitive performance in missing data imputation (MDI) task. However, directly applying diffusion models to MDI produces suboptimal performance due to two primary defects. First, the sample diversity promoted by diffusion models hinders the accurate inference of missing values. Second, data masking reduces observable indices for model training, obstructing imputation performance. To address these challenges, we introduce $\underline{\text{N}}$egative $\underline{\text{E}}$ntropy-regularized $\underline{\text{W}}$asserstein gradient flow for $\underline{\text{Imp}}$utation (NewImp), enhancing diffusion models for MDI from a gradient flow perspective. To handle the first defect, we incorporate a negative entropy regularization term into the cost functional to suppress diversity and improve accuracy. To handle the second defect, we demonstrate that the imputation procedure of NewImp, induced by the conditional distribution-related cost functional, can equivalently be replaced by that induced by the joint distribution, thereby naturally eliminating the need for data masking. Extensive experiments validate the effectiveness of our method. Code is available at [https://github.com/JustusvLiebig/NewImp](https://github.com/JustusvLiebig/NewImp).

This paper presents MaVEn, an innovative Multi-granularity Visual Encoding framework designed to enhance the capabilities of Multimodal Large Language Models (MLLMs) in multi-image reasoning. Current MLLMs primarily focus on single-image visual understanding, limiting their ability to interpret and integrate information across multiple images. MaVEn addresses this limitation by combining discrete visual symbol sequences, which abstract coarse-grained semantic concepts, with traditional continuous representation sequences that model fine-grained features. This dual approach bridges the semantic gap between visual and textual data, thereby improving the model's ability to process and interpret information from multiple images effectively. Additionally, we design a dynamic reduction mechanism by for long-sequence continuous features to enhance multi-image processing efficiency. Experimental results demonstrate that MaVEn significantly enhances MLLMs' understanding in complex multi-image scenarios, while also improving performance in single-image contexts.

Recent work on pruning large language models (LLMs) has shown that one can eliminate a large number of parameters without compromising performance, making pruning a promising strategy to reduce LLM model size. Existing LLM pruning strategies typically assign uniform pruning ratios across layers, limiting overall pruning ability; and recent work on layerwise pruning of LLMs is often based on heuristics that can easily lead to suboptimal performance. In this paper, we leverage Heavy-Tailed Self-Regularization (HT-SR) Theory, in particular the shape of empirical spectral densities (ESDs) of weight matrices, to design improved layerwise pruning ratios for LLMs. Our analysis reveals a wide variability in how well-trained, and thus relatedly how prunable, different layers of an LLM are. Based on this, we propose AlphaPruning, which uses shape metrics to allocate layerwise sparsity ratios in a more theoretically-principled manner. AlphaPruning can be used in conjunction with multiple existing LLM pruning methods. Our empirical results show that AlphaPruning prunes LLaMA-7B to 80% sparsity while maintaining reasonable perplexity, marking a first in the literature on LLMs.

Despite the remarkable success of transformer-based models in various real-world tasks, their underlying mechanisms remain poorly understood. Recent studies have suggested that transformers can implement gradient descent as an in-context learner for linear regression problems and have developed various theoretical analyses accordingly. However, these works mostly focus on the expressive power of transformers by designing specific parameter constructions, lacking a comprehensive understanding of their inherent working mechanisms post-training. In this study, we consider a sparse linear regression problem and investigate how a trained multi-head transformer performs in-context learning. We experimentally discover that the utilization of multi-heads exhibits different patterns across layers: multiple heads are utilized and essential in the first layer, while usually only a single head is sufficient for subsequent layers. We provide a theoretical explanation for this observation: the first layer preprocesses the context data, and the following layers execute simple optimization steps based on the preprocessed context. Moreover, we demonstrate that such a preprocess-then-optimize algorithm can significantly outperform naive gradient descent and ridge regression algorithms. Further experimental results support our explanations. Our findings offer insights into the benefits of multi-head attention and contribute to understanding the more intricate mechanisms hidden within trained transformers.

Adversarial robustness and privacy of deep learning (DL) models are two widely studied topics in AI security. Adversarial training (AT) is an effective approach to improve the robustness of DL models against adversarial attacks. However, while models with AT demonstrate enhanced robustness, they become more susceptible to membership inference attacks (MIAs), thus increasing the risk of privacy leakage. This indicates a negative trade-off between adversarial robustness and privacy in general deep learning models. Visual prompting is a novel model reprogramming (MR) technique used for fine-tuning pre-trained models, achieving good performance in vision tasks, especially when combined with the label mapping technique. However, the performance of label-mapping-based visual prompting (LM-VP) under adversarial attacks and MIAs lacks evaluation. In this work, we regard the MR of LM-VP as a unified entity, referred to as the LM-VP model, and take a step toward jointly evaluating the adversarial robustness and privacy of LM-VP models. Experimental results show that the choice of pre-trained models significantly affects the white-box adversarial robustness of LM-VP, and standard AT even substantially degrades its performance. In contrast, transfer AT-trained LM-VP achieves a good trade-off between transferred adversarial robustness and privacy, a finding that has been consistently validated across various pre-trained models.

In long-term time series forecasting (LTSF) tasks, an increasing number of works have acknowledged that discrete time series originate from continuous dynamic systems and have attempted to model their underlying dynamics. Recognizing the chaotic nature of real-world data, our model, Attraos, incorporates chaos theory into LTSF, perceiving real-world time series as low-dimensional observations from unknown high-dimensional chaotic dynamical systems. Under the concept of attractor invariance, Attraos utilizes non-parametric Phase Space Reconstruction embedding along with a novel multi-resolution dynamic memory unit to memorize historical dynamical structures, and evolves by a frequency-enhanced local evolution strategy. Detailed theoretical analysis and abundant empirical evidence consistently show that Attraos outperforms various LTSF methods on mainstream LTSF datasets and chaotic datasets with only one-twelfth of the parameters compared to PatchTST.

Matching objectives underpin the success of modern generative models and rely on constructing conditional paths that transform a source distribution into a target distribution. Despite being a fundamental building block, conditional paths have been designed principally under the assumption of $\textit{Euclidean geometry}$, resulting in straight interpolations. However, this can be particularly restrictive for tasks such as trajectory inference, where straight paths might lie outside the data manifold, thus failing to capture the underlying dynamics giving rise to the observed marginals. In this paper, we propose Metric Flow Matching (MFM), a novel simulation-free framework for conditional flow matching where interpolants are approximate geodesics learned by minimizing the kinetic energy of a data-induced Riemannian metric. This way, the generative model matches vector fields on the data manifold, which corresponds to lower uncertainty and more meaningful interpolations. We prescribe general metrics to instantiate MFM, independent of the task, and test it on a suite of challenging problems including LiDAR navigation, unpaired image translation, and modeling cellular dynamics. We observe that MFM outperforms the Euclidean baselines, particularly achieving SOTA on single-cell trajectory prediction.

Neural networks are most often trained under the assumption that data come from a stationary distribution. However, settings in which this assumption is violated are of increasing importance; examples include supervised learning with distributional shifts, reinforcement learning, continual learning and non-stationary contextual bandits. Here, we introduce a novel learning approach that automatically models and adapts to non-stationarity by linking parameters through an Ornstein-Uhlenbeck process with an adaptive drift parameter. The adaptive drift draws the parameters towards the distribution used at initialisation, so the approach can be understood as a form of soft parameter reset. We show empirically that our approach performs well in non-stationary supervised, and off-policy reinforcement learning settings.