NeurIPS 2024 Papers

Large language models (LLMs), although having revolutionized many fields, still suffer from the challenging extrapolation problem, where the inference ability of LLMs sharply declines beyond their max training lengths. In this work, we conduct a theoretical analysis to better understand why No Position Encoding (NoPE) fails outside its effective range, as well as examining the power of Position Encoding (PE) in this context. Our findings reveal that with meticulous weave position, PE can indeed be extended beyond effective range. Our theorems establish that LLMs equipped with weave PE can achieve improved extrapolation performance without additional cost. Furthermore, we introduce a novel weave PE method, Mesa-Extrapolation, which utilizes a chunk-based triangular attention matrix and applies Stair PE to manage the final chunk. This method not only retains competitive performance but also offers substantial benefits such as significantly reduced memory demand and faster inference speed. Extensive experiments validate the effectiveness of Mesa-Extrapolation, demonstrating its potential as a scalable solution to enhancing LLMs’ applicative reach.

We introduce Neural Conditional Probability (NCP), an operator-theoretic approach to learning conditional distributions with a focus on statistical inference tasks. NCP can be used to build conditional confidence regions and extract key statistics such as conditional quantiles, mean, and covariance. It offers streamlined learning via a single unconditional training phase, allowing efficient inference without the need for retraining even when conditioning changes. By leveraging the approximation capabilities of neural networks, NCP efficiently handles a wide variety of complex probability distributions. We provide theoretical guarantees that ensure both optimization consistency and statistical accuracy. In experiments, we show that NCP with a 2-hidden-layer network matches or outperforms leading methods. This demonstrates that a a minimalistic architecture with a theoretically grounded loss can achieve competitive results, even in the face of more complex architectures.

This paper explores the problem of class-generalizable anomaly detection, where the objective is to train one unified AD model that can generalize to detect anomalies in diverse classes from different domains without any retraining or fine-tuning on the target data. Because normal feature representations vary significantly across classes, this will cause the widely studied one-for-one AD models to be poorly classgeneralizable (i.e., performance drops dramatically when used for new classes). In this work, we propose a simple but effective framework (called ResAD) that can be directly applied to detect anomalies in new classes. Our main insight is to learn the residual feature distribution rather than the initial feature distribution. In this way, we can significantly reduce feature variations. Even in new classes, the distribution of normal residual features would not remarkably shift from the learned distribution. Therefore, the learned model can be directly adapted to new classes. ResAD consists of three components: (1) a Feature Converter that converts initial features into residual features; (2) a simple and shallow Feature Constraintor that constrains normal residual features into a spatial hypersphere for further reducing feature variations and maintaining consistency in feature scales among different classes; (3) a Feature Distribution Estimator that estimates the normal residual feature distribution, anomalies can be recognized as out-of-distribution. Despite the simplicity, ResAD can achieve remarkable anomaly detection results when directly used in new classes. The code is available at https://github.com/xcyao00/ResAD.

Evaluations of language models (LMs) commonly report perplexity on monolithic data held out from training. Implicitly or explicitly, this data is composed of domains—varying distributions of language. We introduce Perplexity Analysis for Language Model Assessment (Paloma), a benchmark to measure LM fit to 546 English and code domains, instead of assuming perplexity on one distribution extrapolates to others. We include two new datasets of the top 100 subreddits (e.g., r/depression on Reddit) and programming languages (e.g., Java on GitHub), both sources common in contemporary LMs. With our benchmark, we release 6 baseline 1B LMs carefully controlled to provide fair comparisons about which pretraining corpus is best and code for others to apply those controls to their own experiments. Our case studies demonstrate how the fine-grained results from Paloma surface findings such as that models pretrained without data beyond Common Crawl exhibit anomalous gaps in LM fit to many domains or that loss is dominated by the most frequently occurring strings in the vocabulary.

We consider a clustering problem where a learner seeks to partition a finite set by querying a faulty oracle. This models applications where learners crowdsource information from non-expert human workers or conduct noisy experiments to determine group structure. The learner aims to exactly recover a partition by submitting queries of the form ``are $u$ and $v$ in the same group?'' for any pair of elements $u$ and $v$ in the set. Moreover, because the learner only has access to faulty sources of information, they require an error-tolerant algorithm for this task: i.e. they must fully recover the correct partition, even if up to $\ell$ answers are incorrect, for some error-tolerance parameter $\ell$. We study the question: for any given error-tolerance $\ell$, what is the minimum number of queries needed to learn a finite set partition of $n$ elements into $k$ groups? We design algorithms for this task and prove that they achieve optimal query complexity. To analyze our algorithms, we first highlight a connection between this task and correlation clustering. We then use this connection to build a Rényi-Ulam style analytical framework for this problem, which yields matching lower bounds. Our analysis also reveals an inherent asymmetry between the query complexity necessary to be robust against false negative errors as opposed to false positive errors.

Garment animation is ubiquitous in various applications, such as virtual reality, gaming, and film producing. Recently, learning-based approaches obtain compelling performance in animating diverse garments under versatile scenarios. Nevertheless, to mimic the deformations of the observed garments, data-driven methods require large scale of garment data, which are both resource-wise expensive and time-consuming. In addition, forcing models to match the dynamics of observed garment animation may hinder the potentials to generalize to unseen cases. In this paper, instead of using garment-wise supervised-learning we adopt a disentangled scheme to learn how to animate observed garments: 1). learning constitutive behaviors from the observed cloth; 2). dynamically animate various garments constrained by the learned constitutive laws. Specifically, we propose Energy Unit network (EUNet) to model the constitutive relations in the format of energy. Without the priors from analytical physics models and differentiable simulation engines, EUNet is able to directly capture the constitutive behaviors from the observed piece of cloth and uniformly describes the change of energy caused by deformations, such as stretching and bending. We further apply the pre-trained EUNet to animate various garments based on energy optimizations. The disentangled scheme alleviates the need of garment data and enables us to utilize the dynamics of a piece of cloth for animating garments. Experiments show that while EUNet effectively delivers the energy gradients due to the deformations, models constrained by EUNet achieve more stable and physically plausible performance comparing with those trained in garment-wise supervised manner.

The training of score-based diffusion models (SDMs) is based on score matching. The challenge of score matching is that it includes a computationally expensive Jacobian trace. While several methods have been proposed to avoid this computation, each has drawbacks, such as instability during training and approximating the learning as learning a denoising vector field rather than a true score. We propose a novel score matching variant, local curvature smoothing with Stein's identity (LCSS). The LCSS bypasses the Jacobian trace by applying Stein's identity, enabling regularization effectiveness and efficient computation. We show that LCSS surpasses existing methods in sample generation performance and matches the performance of denoising score matching, widely adopted by most SDMs, in evaluations such as FID, Inception score, and bits per dimension. Furthermore, we show that LCSS enables realistic image generation even at a high resolution of $1024 \times 1024$.

Diffusion Transformer (DiT) is emerging as a cutting-edge trend in the landscape of generative diffusion models for image generation. Recently, masked-reconstruction strategies have been considered to improve the efficiency and semantic consistency in training DiT but suffer from deficiency in contextual information extraction. In this paper, we provide a new insight to reveal that noisy-to-noisy masked-reconstruction harms sufficient utilization of contextual information. We further demonstrate the insight with theoretical analysis and empirical study on the mutual information between unmasked and masked patches. Guided by such insight, we propose a novel training paradigm named MC-DiT for fully learning contextual information via diffusion denoising at different noise variances with clean-to-clean mask-reconstruction. Moreover, to avoid model collapse, we design two complementary branches of DiT decoders for enhancing the use of noisy patches and mitigating excessive reliance on clean patches in reconstruction. Extensive experimental results on 256$\times$256 and 512$\times$512 image generation on the ImageNet dataset demonstrate that the proposed MC-DiT achieves state-of-the-art performance in unconditional and conditional image generation with enhanced convergence speed.

Implicit representation has opened up new possibilities for inverse rendering. However, existing implicit neural inverse rendering methods struggle to handle strongly illuminated scenes with significant shadows and slight reflections. The existence of shadows and reflections can lead to an inaccurate understanding of the scene, making precise factorization difficult. To this end, we present RobIR, an implicit inverse rendering approach that uses ACES tone mapping and regularized visibility estimation to reconstruct accurate BRDF of the object. By accurately modeling the indirect radiance field, normal, visibility, and direct light simultaneously, we are able to accurately decouple environment lighting and the object's PBR materials without imposing strict constraints on the scene. Even in high-illumination scenes with shadows and specular reflections, our method can recover high-quality albedo and roughness with no shadow interference. RobIR outperforms existing methods in both quantitative and qualitative evaluations.

In an era marked by the rapid scaling of foundation models, autonomous driving technologies are approaching a transformative threshold where end-to-end autonomous driving (E2E-AD) emerges due to its potential of scaling up in the data-driven manner. However, existing E2E-AD methods are mostly evaluated under the open-loop log-replay manner with L2 errors and collision rate as metrics (e.g., in nuScenes), which could not fully reflect the driving performance of algorithms as recently acknowledged in the community. For those E2E-AD methods evaluated under the closed-loop protocol, they are tested in fixed routes (e.g., Town05Long and Longest6 in CARLA) with the driving score as metrics, which is known for high variance due to the unsmoothed metric function and large randomness in the long route. Besides, these methods usually collect their own data for training, which makes algorithm-level fair comparison infeasible. To fulfill the paramount need of comprehensive, realistic, and fair testing environments for Full Self-Driving (FSD), we present Bench2Drive, the first benchmark for evaluating E2E-AD systems' multiple abilities in a closed-loop manner. Bench2Drive's official training data consists of 2 million fully annotated frames, collected from 10000 short clips uniformly distributed under 44 interactive scenarios (cut-in, overtaking, detour, etc), 23 weathers (sunny, foggy, rainy, etc), and 12 towns (urban, village, university, etc) in CARLA v2. Its evaluation protocol requires E2E-AD models to pass 44 interactive scenarios under different locations and weathers which sums up to 220 routes and thus provides a comprehensive and disentangled assessment about their driving capability under different situations. We implement state-of-the-art E2E-AD models and evaluate them in Bench2Drive, providing insights regarding current status and future directions.

The ability to compare objects, scenes, or situations is crucial for effective decision-making and problem-solving in everyday life. For instance, comparing the freshness of apples enables better choices during grocery shopping, while comparing sofa designs helps optimize the aesthetics of our living space. Despite its significance, the comparative capability is largely unexplored in artificial general intelligence (AGI). In this paper, we introduce MLLM-CompBench, a benchmark designed to evaluate the comparative reasoning capability of multimodal large language models (MLLMs). MLLM-CompBench mines and pairs images through visually oriented questions covering eight dimensions of relative comparison: visual attribute, existence, state, emotion, temporality, spatiality, quantity, and quality. We curate a collection of around 40K image pairs using metadata from diverse vision datasets and CLIP similarity scores. These image pairs span a broad array of visual domains, including animals, fashion, sports, and both outdoor and indoor scenes. The questions are carefully crafted to discern relative characteristics between two images and are labeled by human annotators for accuracy and relevance. We use MLLM-CompBench to evaluate recent MLLMs, including GPT-4V(ision), Gemini-Pro, and LLaVA-1.6. Our results reveal notable shortcomings in their comparative abilities. We believe MLLM-CompBench not only sheds light on these limitations but also establishes a solid foundation for future enhancements in the comparative capability of MLLMs.

Graph Transformers (GTs) have recently emerged as popular alternatives to traditional message-passing Graph Neural Networks (GNNs), due to their theoretically superior expressiveness and impressive performance reported on standard node classification benchmarks, often significantly outperforming GNNs. In this paper, we conduct a thorough empirical analysis to reevaluate the performance of three classic GNN models (GCN, GAT, and GraphSAGE) against GTs. Our findings suggest that the previously reported superiority of GTs may have been overstated due to suboptimal hyperparameter configurations in GNNs. Remarkably, with slight hyperparameter tuning, these classic GNN models achieve state-of-the-art performance, matching or even exceeding that of recent GTs across 17 out of the 18 diverse datasets examined. Additionally, we conduct detailed ablation studies to investigate the influence of various GNN configurations—such as normalization, dropout, residual connections, and network depth—on node classification performance. Our study aims to promote a higher standard of empirical rigor in the field of graph machine learning, encouraging more accurate comparisons and evaluations of model capabilities. Our implementation is available at https://github.com/LUOyk1999/tunedGNN.

The Spiking Neural Network (SNN) is a biologically inspired neural network infrastructure that has recently garnered significant attention. It utilizes binary spike activations to transmit information, thereby replacing multiplications with additions and resulting in high energy efficiency. However, training an SNN directly poses a challenge due to the undefined gradient of the firing spike process. Although prior works have employed various surrogate gradient training methods that use an alternative function to replace the firing process during back-propagation, these approaches ignore an intrinsic problem: gradient vanishing. To address this issue, we propose a shortcut back-propagation method in the paper, which advocates for transmitting the gradient directly from the loss to the shallow layers. This enables us to present the gradient to the shallow layers directly, thereby significantly mitigating the gradient vanishing problem. Additionally, this method does not introduce any burden during the inference phase. To strike a balance between final accuracy and ease of training, we also propose an evolutionary training framework and implement it by inducing a balance coefficient that dynamically changes with the training epoch, which further improves the network's performance. Extensive experiments conducted over static and dynamic datasets using several popular network structures reveal that our method consistently outperforms state-of-the-art methods.

We present an efficient neural 3D scene representation for novel-view synthesis (NVS) in large-scale, dynamic urban areas. Existing works are not well suited for applications like mixed-reality or closed-loop simulation due to their limited visual quality and non-interactive rendering speeds. Recently, rasterization-based approaches have achieved high-quality NVS at impressive speeds. However, these methods are limited to small-scale, homogeneous data, i.e. they cannot handle severe appearance and geometry variations due to weather, season, and lighting and do not scale to larger, dynamic areas with thousands of images. We propose 4DGF, a neural scene representation that scales to large-scale dynamic urban areas, handles heterogeneous input data, and substantially improves rendering speeds. We use 3D Gaussians as an efficient geometry scaffold while relying on neural fields as a compact and flexible appearance model. We integrate scene dynamics via a scene graph at global scale while modeling articulated motions on a local level via deformations. This decomposed approach enables flexible scene composition suitable for real-world applications. In experiments, we surpass the state-of-the-art by over 3 dB in PSNR and more than 200x in rendering speed.

Mutual Information (MI) is a fundamental metric for quantifying dependency between two random variables. When we can access only the samples, but not the underlying distribution functions, we can evaluate MI using sample-based estimators. Assessment of such MI estimators, however, has almost always relied on analytical datasets including Gaussian multivariates. Such datasets allow analytical calculations of the true MI values, but they are limited in that they do not reflect the complexities of real-world datasets. This study introduces a comprehensive benchmark suite for evaluating neural MI estimators on unstructured datasets, specifically focusing on images and texts. By leveraging same-class sampling for positive pairing and introducing a binary symmetric channel trick, we show that we can accurately manipulate true MI values of real-world datasets. Using the benchmark suite, we investigate seven challenging scenarios, shedding light on the reliability of neural MI estimators for unstructured datasets.

We propose a Regularized Adaptive Momentum Dual Averaging (RAMDA) algorithm for training structured neural networks. Similar to existing regularized adaptive methods, the subproblem for computing the update direction of RAMDA involves a nonsmooth regularizer and a diagonal preconditioner, and therefore does not possess a closed-form solution in general. We thus also carefully devise an implementable inexactness condition that retains convergence guarantees similar to the exact versions, and propose a companion efficient solver for the subproblems of both RAMDA and existing methods to make them practically feasible. We leverage the theory of manifold identification in variational analysis to show that, even in the presence of such inexactness, the iterates of RAMDA attain the ideal structure induced by the regularizer at the stationary point of asymptotic convergence. This structure is locally optimal near the point of convergence, so RAMDA is guaranteed to obtain the best structure possible among all methods converging to the same point, making it the first regularized adaptive method outputting models that possess outstanding predictive performance while being (locally) optimally structured. Extensive numerical experiments in large-scale modern computer vision, language modeling, and speech tasks show that the proposed RAMDA is efficient and consistently outperforms state of the art for training structured neural network. Implementation of our algorithm is available at https://www.github.com/ismoptgroup/RAMDA.

Uncertainty quantification, once a singular task, has evolved into a spectrum of tasks, including abstained prediction, out-of-distribution detection, and aleatoric uncertainty quantification. The latest goal is disentanglement: the construction of multiple estimators that are each tailored to one and only one source of uncertainty. This paper presents the first benchmark of uncertainty disentanglement. We reimplement and evaluate a comprehensive range of uncertainty estimators, from Bayesian over evidential to deterministic ones, across a diverse range of uncertainty tasks on ImageNet. We find that, despite recent theoretical endeavors, no existing approach provides pairs of disentangled uncertainty estimators in practice. We further find that specialized uncertainty tasks are harder than predictive uncertainty tasks, where we observe saturating performance. Our results provide both practical advice for which uncertainty estimators to use for which specific task, and reveal opportunities for future research toward task-centric and disentangled uncertainties. All our reimplementations and Weights & Biases logs are available at https://github.com/bmucsanyi/untangle.

Among approaches for provably safe reinforcement learning, Model Predictive Shielding (MPS) has proven effective at complex tasks in continuous, high-dimensional state spaces, by leveraging a *backup policy* to ensure safety when the learned policy attempts to take risky actions. However, while MPS can ensure safety both during and after training, it often hinders task progress due to the conservative and task-oblivious nature of backup policies. This paper introduces *Dynamic Model Predictive Shielding* (DMPS), which optimizes reinforcement learning objectives while maintaining provable safety. DMPS employs a local planner to dynamically select safe recovery actions that maximize both short-term progress as well as long-term rewards. Crucially, the planner and the neural policy play a synergistic role in DMPS. When planning recovery actions for ensuring safety, the planner utilizes the neural policy to estimate long-term rewards, allowing it to *observe* beyond its short-term planning horizon. Conversely, the neural policy under training learns from the recovery plans proposed by the planner, converging to policies that are both *high-performing* and *safe* in practice. This approach guarantees safety during and after training, with bounded recovery regret that decreases exponentially with planning horizon depth. Experimental results demonstrate that DMPS converges to policies that rarely require shield interventions after training and achieve higher rewards compared to several state-of-the-art baselines.

To reduce annotation costs, it is common in crowdsourcing to collect only a few noisy labels from different crowd workers for each instance. However, the limited noisy labels restrict the performance of label integration algorithms in inferring the unknown true label for the instance. Recent works have shown that leveraging neighbor instances can help alleviate this problem. Yet, these works all assume that each instance has the same neighborhood size, which defies common sense. To address this gap, we propose a novel label integration algorithm called K-free nearest neighbor (KFNN). In KFNN, the neighborhood size of each instance is automatically determined based on its attributes and noisy labels. Specifically, KFNN initially estimates a Mahalanobis distance distribution from the attribute space to model the relationship between each instance and all classes. This distance distribution is then utilized to enhance the multiple noisy label distribution of each instance. Subsequently, a Kalman filter is designed to mitigate the impact of noise incurred by neighbor instances. Finally, KFNN determines the optimal neighborhood size by the max-margin learning. Extensive experimental results demonstrate that KFNN significantly outperforms all the other state-of-the-art algorithms and exhibits greater robustness in various crowdsourcing scenarios.