NeurIPS 2024 Papers

We study the classic problem of prediction with expert advice under bandit feedback. Our model assumes that one action, corresponding to the learner's abstention from play, has no reward or loss on every trial. We propose the CBA (Confidence-rated Bandits with Abstentions) algorithm, which exploits this assumption to obtain reward bounds that can significantly improve those of the classical Exp4 algorithm. Our problem can be construed as the aggregation of confidence-rated predictors, with the learner having the option to abstain from play. We are the first to achieve bounds on the expected cumulative reward for general confidence-rated predictors. In the special case of specialists, we achieve a novel reward bound, significantly improving previous bounds of SpecialistExp (treating abstention as another action). We discuss how CBA can be applied to the problem of adversarial contextual bandits with the option of abstaining from selecting any action. We are able to leverage a wide range of inductive biases, outperforming previous approaches both theoretically and in preliminary experimental analysis. Additionally, we achieve a reduction in runtime from quadratic to almost linear in the number of contexts for the specific case of metric space contexts.

Recently, 3D Gaussian Splatting (3DGS) has become one of the mainstream methodologies for novel view synthesis (NVS) due to its high quality and fast rendering speed. However, as a point-based scene representation, 3DGS potentially generates a large number of Gaussians to fit the scene, leading to high memory usage. Improvements that have been proposed require either an empirical pre-set pruning ratio or importance score threshold to prune the point cloud. Such hyperparameters require multiple rounds of training to optimize and achieve the maximum pruning ratio while maintaining the rendering quality for each scene. In this work, we propose learning-to-prune 3DGS (LP-3DGS), where a trainable binary mask is applied to the importance score to automatically find a favorable pruning ratio. Instead of using the traditional straight-through estimator (STE) method to approximate the binary mask gradient, we redesign the masking function to leverage the Gumbel-Sigmoid method, making it differentiable and compatible with the existing training process of 3DGS. Extensive experiments have shown that LP-3DGS consistently achieves a good balance between efficiency and high quality.

Frequently, the burgeoning field of black-box optimization encounters challenges due to a limited understanding of the mechanisms of the objective function. To address such problems, in this work we focus on the deterministic concept of Order Oracle, which only utilizes order access between function values (possibly with some bounded noise), but without assuming access to their values. As theoretical results, we propose a new approach to create non-accelerated optimization algorithms (obtained by integrating Order Oracle into existing optimization “tools”) in non-convex, convex, and strongly convex settings that are as good as both SOTA coordinate algorithms with first-order oracle and SOTA algorithms with Order Oracle up to logarithm factor. Moreover, using the proposed approach, _we provide the first accelerated optimization algorithm using the Order Oracle_. And also, using an already different approach we provide the asymptotic convergence of _the first algorithm with the stochastic Order Oracle concept_. Finally, our theoretical results demonstrate effectiveness of proposed algorithms through numerical experiments.

We introduce a new benchmark designed to advance the development of general-purpose, large-scale vision-language models for remote sensing images. Although several vision-language datasets in remote sensing have been proposed to pursue this goal, existing datasets are typically tailored to single tasks, lack detailed object information, or suffer from inadequate quality control. Exploring these improvement opportunities, we present a Versatile vision-language Benchmark for Remote Sensing image understanding, termed VRSBench. This benchmark comprises 29,614 images, with 29,614 human-verified detailed captions, 52,472 object references, and 123,221 question-answer pairs. It facilitates the training and evaluation of vision-language models across a broad spectrum of remote sensing image understanding tasks. We further evaluated state-of-the-art models on this benchmark for three vision-language tasks: image captioning, visual grounding, and visual question answering. Our work aims to significantly contribute to the development of advanced vision-language models in the field of remote sensing. The data and code can be accessed at https://vrsbench.github.io.

How to evaluate Large Language Models (LLMs) in code generation remains an open question. Many benchmarks have been proposed, but they have two limitations, i.e., data leakage and lack of domain-specific evaluation. The former hurts the fairness of benchmarks, and the latter hinders practitioners from selecting superior LLMs for specific programming domains. To address these two limitations, we propose a new benchmark - EvoCodeBench, which has the following advances: (1) Evolving data. EvoCodeBench will be dynamically updated every period (e.g., 6 months) to avoid data leakage. This paper releases the first version - EvoCodeBench-2403, containing 275 samples from 25 repositories. (2) A domain taxonomy and domain labels. Based on the statistics of open-source communities, we design a programming domain taxonomy consisting of 10 popular domains. Based on the taxonomy, we annotate each sample in EvoCodeBench with a domain label. EvoCodeBench provides a broad platform for domain-specific evaluations. (3) Domain-specific evaluations. Besides the Pass@k, we compute the Domain-Specific Improvement (DSI) and define LLMs' comfort and strange domains. These evaluations help practitioners select superior LLMs in specific domains and discover the shortcomings of existing LLMs. Besides, EvoCodeBench is collected by a rigorous pipeline and aligns with real-world repositories in multiple aspects (e.g., code distributions). We evaluate 8 popular LLMs (e.g., gpt-4, DeepSeek Coder, StarCoder 2) on EvoCodeBench and summarize some insights. EvoCodeBench reveals the actual abilities of these LLMs in real-world repositories. For example, the highest Pass@1 of gpt-4 on EvoCodeBench-2403 is only 20.74%. Besides, we evaluate LLMs in different domains and discover their comfort and strange domains. For example, gpt-4 performs best in most domains but falls behind others in the Internet domain. StarCoder 2-15B unexpectedly performs well in the Database domain and even outperforms 33B LLMs. We release EvoCodeBench, all prompts, and LLMs' completions for further community analysis.

As the adoption of large language models increases and the need for per-user or per-task model customization grows, the parameter-efficient fine-tuning (PEFT) methods, such as low-rank adaptation (LoRA) and its variants, incur substantial storage and transmission costs. To further reduce stored parameters, we introduce a "divide-and-share" paradigm that breaks the barriers of low-rank decomposition across matrix dimensions, modules, and layers by sharing parameters globally via a vector bank. As an instantiation of the paradigm to LoRA, our proposed VB-LoRA composites all the low-rank matrices of LoRA from a shared vector bank with a differentiable top-$k$ admixture module. VB-LoRA achieves extreme parameter efficiency while maintaining comparable or better performance compared to state-of-the-art PEFT methods. Extensive experiments demonstrate the effectiveness of VB-LoRA on natural language understanding, natural language generation, instruction tuning, and mathematical reasoning tasks. When fine-tuning the Llama2-13B model, VB-LoRA only uses 0.4% of LoRA's stored parameters, yet achieves superior results. Our source code is available at https://github.com/leo-yangli/VB-LoRA. This method has been merged into the Hugging Face PEFT package.

Time series data are essential in a wide range of machine learning (ML) applications. However, temporal data are often scarce or highly sensitive, limiting data sharing and the use of data-intensive ML methods. A possible solution to this problem is the generation of synthetic datasets that resemble real data. In this work, we introduce Time Series Generative Modeling (TSGM), an open-source framework for the generative modeling and evaluation of synthetic time series datasets. TSGM includes a broad repertoire of machine learning methods: generative models, probabilistic, simulation-based approaches, and augmentation techniques. The framework enables users to evaluate the quality of the produced data from different angles: similarity, downstream effectiveness, predictive consistency, diversity, fairness, and privacy. TSGM is extensible and user-friendly, which allows researchers to rapidly implement their own methods and compare them in a shareable environment. The framework has been tested on open datasets and in production and proved to be beneficial in both cases. https://github.com/AlexanderVNikitin/tsgm

The content of visual and audio scenes is multi-faceted such that a video stream can be paired with various audio streams and vice-versa. Thereby, in video-to-audio generation task, it is imperative to introduce steering approaches for controlling the generated audio. While Video-to-Audio generation is a well-established generative task, existing methods lack such controllability. In this work, we propose VATT, a multi-modal generative framework that takes a video and an optional text prompt as input, and generates audio and optional textual description (caption) of the audio. Such a framework has two unique advantages: i) Video-to-Audio generation process can be refined and controlled via text which complements the context of the visual information, and ii) The model can suggest what audio to generate for the video by generating audio captions. VATT consists of two key modules: VATT Converter, which is an LLM that has been fine-tuned for instructions and includes a projection layer that maps video features to the LLM vector space, and VATT Audio, a bi-directional transformer that generates audio tokens from visual frames and from optional text prompt using iterative parallel decoding. The audio tokens and the text prompt are used by a pretrained neural codec to convert them into a waveform. Our experiments show that when VATT is compared to existing video-to-audio generation methods in objective metrics, such as VGGSound audiovisual dataset, it achieves competitive performance when the audio caption is not provided. When the audio caption is provided as a prompt, VATT achieves even more refined performance (with lowest KLD score of 1.41). Furthermore, subjective studies asking participants to choose the most compatible generated audio for a given silent video, show that VATT Audio has been chosen on average as a preferred generated audio than the audio generated by existing methods. VATT enables controllable video-to-audio generation through text as well as suggesting text prompts for videos through audio captions, unlocking novel applications such as text-guided video-to-audio generation and video-to-audio captioning.

Over the several recent years, there has been a boom in development of Flow Matching (FM) methods for generative modeling. One intriguing property pursued by the community is the ability to learn flows with straight trajectories which realize the Optimal Transport (OT) displacements. Straightness is crucial for the fast integration (inference) of the learned flow's paths. Unfortunately, most existing flow straightening methods are based on non-trivial iterative FM procedures which accumulate the error during training or exploit heuristics based on minibatch OT. To address these issues, we develop and theoretically justify the novel Optimal Flow Matching approach which allows recovering the straight OT displacement for the quadratic transport in just one FM step. The main idea of our approach is the employment of vector field for FM which are parameterized by convex functions. The code of our OFM implementation and the conducted experiments is available at https://github.com/Jhomanik/Optimal-Flow-Matching

Recently, through a unified gradient flow perspective of Markov chain Monte Carlo (MCMC) and variational inference (VI), particle-based variational inference methods (ParVIs) have been proposed that tend to combine the best of both worlds. While typical ParVIs such as Stein Variational Gradient Descent (SVGD) approximate the gradient flow within a reproducing kernel Hilbert space (RKHS), many attempts have been made recently to replace RKHS with more expressive function spaces, such as neural networks. While successful, these methods are mainly designed for sampling from unconstrained domains. In this paper, we offer a general solution to constrained sampling by introducing a boundary condition for the gradient flow which would confine the particles within the specific domain. This allows us to propose a new functional gradient ParVI method for constrained sampling, called *constrained functional gradient flow* (CFG), with provable continuous-time convergence in total variation (TV). We also present novel numerical strategies to handle the boundary integral term arising from the domain constraints. Our theory and experiments demonstrate the effectiveness of the proposed framework.

Originally rooted in game theory, the Shapley Value (SV) has recently become an important tool in machine learning research. Perhaps most notably, it is used for feature attribution and data valuation in explainable artificial intelligence. Shapley Interactions (SIs) naturally extend the SV and address its limitations by assigning joint contributions to groups of entities, which enhance understanding of black box machine learning models. Due to the exponential complexity of computing SVs and SIs, various methods have been proposed that exploit structural assumptions or yield probabilistic estimates given limited resources. In this work, we introduce shapiq, an open-source Python package that unifies state-of-the-art algorithms to efficiently compute SVs and any-order SIs in an application-agnostic framework. Moreover, it includes a benchmarking suite containing 11 machine learning applications of SIs with pre-computed games and ground-truth values to systematically assess computational performance across domains. For practitioners, shapiq is able to explain and visualize any-order feature interactions in predictions of models, including vision transformers, language models, as well as XGBoost and LightGBM with TreeSHAP-IQ. With shapiq, we extend shap beyond feature attributions and consolidate the application of SVs and SIs in machine learning that facilitates future research. The source code and documentation are available at https://github.com/mmschlk/shapiq.

Rendering and reconstruction are long-standing topics in computer vision and graphics. Achieving both high rendering quality and accurate geometry is a challenge. Recent advancements in 3D Gaussian Splatting (3DGS) have enabled high-fidelity novel view synthesis at real-time speeds. However, the noisy and discrete nature of 3D Gaussian primitives hinders accurate surface estimation. Previous attempts to regularize 3D Gaussian normals often degrade rendering quality due to the fundamental disconnect between normal vectors and the rendering pipeline in 3DGS-based methods. Therefore, we introduce Normal-GS, a novel approach that integrates normal vectors into the 3DGS rendering pipeline. The core idea is to model the interaction between normals and incident lighting using the physically-based rendering equation. Our approach re-parameterizes surface colors as the product of normals and a designed Integrated Directional Illumination Vector (IDIV). To optimize memory usage and simplify optimization, we employ an anchor-based 3DGS to implicitly encode locally-shared IDIVs. Additionally, Normal-GS leverages optimized normals and Integrated Directional Encoding (IDE) to accurately model specular effects, enhancing both rendering quality and surface normal precision. Extensive experiments demonstrate that Normal-GS achieves near state-of-the-art visual quality while obtaining accurate surface normals and preserving real-time rendering performance.

We study the problem of online multi-group learning, a learning model in which an online learner must simultaneously achieve small prediction regret on a large collection of (possibly overlapping) subsequences corresponding to a family of groups. Groups are subsets of the context space, and in fairness applications, they may correspond to subpopulations defined by expressive functions of demographic attributes. In this paper, we design such oracle-efficient algorithms with sublinear regret under a variety of settings, including: (i) the i.i.d. setting, (ii) the adversarial setting with smoothed context distributions, and (iii) the adversarial transductive setting.

Scaling deep learning models has been at the heart of recent revolutions in language modelling and image generation. Practitioners have observed a strong relationship between model size, dataset size, and performance. However, structure-based architectures such as Graph Neural Networks (GNNs) are yet to show the benefits of scale mainly due to lower efficiency of sparse operations, large data requirements, and lack of clarity about the effectiveness of various architectures. We address this drawback of GNNs by studying their scaling behavior. Specifically, we analyze message-passing networks, graph Transformers, and hybrid architectures on the largest public collection of 2D molecular graphs for supervised pretraining. For the first time, we observe that GNNs benefit tremendously from the increasing scale of depth, width, number of molecules and associated labels. A major factor is the diversity of the pretraining data that comprises thousands of labels per molecule derived from bio-assays, quantum simulations, transcriptomics and phenomic imaging. We further demonstrate strong finetuning scaling behavior on 38 highly competitive downstream tasks, outclassing previous large models. This gives rise to MolGPS, a new graph foundation model that allows to navigate the chemical space, outperforming the previous state-of-the-arts on 26 out the 38 downstream tasks. We hope that our work paves the way for an era where foundational GNNs drive pharmaceutical drug discovery.

We develop a method to generate prediction sets with a guaranteed coverage rate that is robust to corruptions in the training data, such as missing or noisy variables. Our approach builds on conformal prediction, a powerful framework to construct prediction sets that are valid under the i.i.d assumption. Importantly, naively applying conformal prediction does not provide reliable predictions in this setting, due to the distribution shift induced by the corruptions. To account for the distribution shift, we assume access to privileged information (PI). The PI is formulated as additional features that explain the distribution shift, however, they are only available during training and absent at test time. We approach this problem by introducing a novel generalization of weighted conformal prediction and support our method with theoretical coverage guarantees. Empirical experiments on both real and synthetic datasets indicate that our approach achieves a valid coverage rate and constructs more informative predictions compared to existing methods, which are not supported by theoretical guarantees.

The architecture of Vision Transformers (ViTs), particularly the Multi-head Attention (MHA) mechanism, imposes substantial hardware demands. Deploying ViTs on devices with varying constraints, such as mobile phones, requires multiple models of different sizes. However, this approach has limitations, such as training and storing each required model separately. This paper introduces HydraViT, a novel approach that addresses these limitations by stacking attention heads to achieve a scalable ViT. By repeatedly changing the size of the embedded dimensions throughout each layer and their corresponding number of attention heads in MHA during training, HydraViT induces multiple subnetworks. Thereby, HydraViT achieves adaptability across a wide spectrum of hardware environments while maintaining performance. Our experimental results demonstrate the efficacy of HydraViT in achieving a scalable ViT with up to 10 subnetworks, covering a wide range of resource constraints. HydraViT achieves up to 5 p.p. more accuracy with the same GMACs and up to 7 p.p. more accuracy with the same throughput on ImageNet-1K compared to the baselines, making it an effective solution for scenarios where hardware availability is diverse or varies over time. The source code is available at https://github.com/ds-kiel/HydraViT.

Flexible and accurate drag-based editing is a challenging task that has recently garnered significant attention. Current methods typically model this problem as automatically learning "how to drag" through point dragging and often produce one deterministic estimation, which presents two key limitations: 1) Overlooking the inherently ill-posed nature of drag-based editing, where multiple results may correspond to a given input, as illustrated in Fig.1; 2) Ignoring the constraint of image quality, which may lead to unexpected distortion. To alleviate this, we propose LucidDrag, which shifts the focus from "how to drag" to "what-then-how" paradigm. LucidDrag comprises an intention reasoner and a collaborative guidance sampling mechanism. The former infers several optimal editing strategies, identifying what content and what semantic direction to be edited. Based on the former, the latter addresses "how to drag" by collaboratively integrating existing editing guidance with the newly proposed semantic guidance and quality guidance. Specifically, semantic guidance is derived by establishing a semantic editing direction based on reasoned intentions, while quality guidance is achieved through classifier guidance using an image fidelity discriminator. Both qualitative and quantitative comparisons demonstrate the superiority of LucidDrag over previous methods.

Policy Mirror Descent (PMD) is a powerful and theoretically sound methodology for sequential decision-making. However, it is not directly applicable to Reinforcement Learning (RL) due to the inaccessibility of explicit action-value functions. We address this challenge by introducing a novel approach based on learning a world model of the environment using conditional mean embeddings. Leveraging tools from operator theory we derive a closed-form expression of the action-value function in terms of the world model via simple matrix operations. Combining these estimators with PMD leads to POWR, a new RL algorithm for which we prove convergence rates to the global optimum. Preliminary experiments in finite and infinite state settings support the effectiveness of our method.

When releasing outputs from confidential data, agencies need to balance the analytical usefulness of the released data with the obligation to protect data subjects' confidentiality. For releases satisfying differential privacy, this balance is reflected by the privacy budget, $\varepsilon$. We provide a framework for setting $\varepsilon$ based on its relationship with Bayesian posterior probabilities of disclosure. The agency responsible for the data release decides how much posterior risk it is willing to accept at various levels of prior risk, which implies a unique $\varepsilon$. Agencies can evaluate different risk profiles to determine one that leads to an acceptable trade-off in risk and utility.