NeurIPS 2024 论文列表

A straightforward pipeline for zero-shot out-of-distribution (OOD) detection involves selecting potential OOD labels from an extensive semantic pool and then leveraging a pre-trained vision-language model to perform classification on both in-distribution (ID) and OOD labels. In this paper, we theorize that enhancing performance requires expanding the semantic pool, while increasing the expected probability of selected OOD labels being activated by OOD samples, and ensuring low mutual dependence among the activations of these OOD labels. A natural expansion manner is to adopt a larger lexicon; however, the inevitable introduction of numerous synonyms and uncommon words fails to meet the above requirements, indicating that viable expansion manners move beyond merely selecting words from a lexicon. Since OOD detection aims to correctly classify input images into ID/OOD class groups, we can "make up" OOD label candidates which are not standard class names but beneficial for the process. Observing that the original semantic pool is comprised of unmodified specific class names, we correspondingly construct a conjugated semantic pool (CSP) consisting of modified superclass names, each serving as a cluster center for samples sharing similar properties across different categories. Consistent with our established theory, expanding OOD label candidates with the CSP satisfies the requirements and outperforms existing works by 7.89% in FPR95. Codes are available in https://github.com/MengyuanChen21/NeurIPS2024-CSP.

Recently, 3D Gaussian Splatting (3DGS) has become popular in reconstructing dense 3D representations of appearance and geometry. However, the learning pipeline in 3DGS inherently lacks the ability to quantify uncertainty, which is an important factor in applications like robotics mapping and navigation. In this paper, we propose an uncertainty estimation method built upon the Bayesian inference framework. Specifically, we propose a method to build variational multi-scale 3D Gaussians, where we leverage explicit scale information in 3DGS parameters to construct diversified parameter space samples. We develop an offset table technique to draw local multi-scale samples efficiently by offsetting selected attributes and sharing other base attributes. Then, the offset table is learned by variational inference with multi-scale prior. The learned offset posterior can quantify the uncertainty of each individual Gaussian component, and be used in the forward pass to infer the predictive uncertainty. Extensive experimental results on various benchmark datasets show that the proposed method provides well-aligned calibration performance on estimated uncertainty and better rendering quality compared with the previous methods that enable uncertainty quantification with view synthesis. Besides, by leveraging the model parameter uncertainty estimated by our method, we can remove noisy Gaussians automatically, thereby obtaining a high-fidelity part of the reconstructed scene, which is of great help in improving the visual quality.

Recommender systems aim to predict personalized rankings based on user preference data. With the rise of Language Models (LMs), LM-based recommenders have been widely explored due to their extensive world knowledge and powerful reasoning abilities. Most of the LM-based recommenders convert historical interactions into language prompts, pairing with a positive item as the target response and fine-tuning LM with a language modeling loss. However, the current objective fails to fully leverage preference data and is not optimized for personalized ranking tasks, which hinders the performance of LM-based recommenders. Inspired by the current advancement of Direct Preference Optimization (DPO) in human preference alignment and the success of softmax loss in recommendations, we propose Softmax-DPO (\textbf{S-DPO}) to instill ranking information into the LM to help LM-based recommenders distinguish preferred items from negatives, rather than solely focusing on positives. Specifically, we incorporate multiple negatives in user preference data and devise an alternative version of DPO loss tailored for LM-based recommenders, which is extended from the traditional full-ranking Plackett-Luce (PL) model to partial rankings and connected to softmax sampling strategies. Theoretically, we bridge S-DPO with the softmax loss over negative sampling and find that it has an inherent benefit of mining hard negatives, which assures its exceptional capabilities in recommendation tasks. Empirically, extensive experiments conducted on three real-world datasets demonstrate the superiority of S-DPO to effectively model user preference and further boost recommendation performance while providing better rewards for preferred items. Our codes are available at https://github.com/chenyuxin1999/S-DPO.

Symmetry detection has been shown to improve various machine learning tasks. In the context of continuous symmetry detection, current state of the art experiments are limited to the detection of affine transformations. Under the manifold assumption, we outline a framework for discovering continuous symmetry in data beyond the affine transformation group. We also provide a similar framework for discovering discrete symmetry. We experimentally compare our method to an existing method known as LieGAN and show that our method is competitive at detecting affine symmetries for large sample sizes and superior than LieGAN for small sample sizes. We also show our method is able to detect continuous symmetries beyond the affine group and is generally more computationally efficient than LieGAN.

Learning modular object-centric representations is said to be crucial for systematic generalization. Existing methods show promising object-binding capabilities empirically, but theoretical identifiability guarantees remain relatively underdeveloped. Understanding when object-centric representations can theoretically be identified is important for scaling slot-based methods to high-dimensional images with correctness guarantees. To that end, we propose a probabilistic slot-attention algorithm that imposes an *aggregate* mixture prior over object-centric slot representations, thereby providing slot identifiability guarantees without supervision, up to an equivalence relation. We provide empirical verification of our theoretical identifiability result using both simple 2-dimensional data and high-resolution imaging datasets.

In this paper, we explore two fundamental first-order algorithms in convex optimization, namely, gradient descent (GD) and proximal gradient method (ProxGD). Our focus is on making these algorithms entirely adaptive by leveraging local curvature information of smooth functions. We propose adaptive versions of GD and ProxGD that are based on observed gradient differences and, thus, have no added computational costs. Moreover, we prove convergence of our methods assuming only local Lipschitzness of the gradient. In addition, the proposed versions allow for even larger stepsizes than those initially suggested in [MM20].

EEVR (Emotion Elicitation in Virtual Reality) is a novel dataset specifically designed for language supervision-based pre-training of emotion recognition tasks, such as valence and arousal classification. It features high-quality physiological signals, including electrodermal activity (EDA) and photoplethysmography (PPG), acquired through emotion elicitation via 360-degree virtual reality (VR) videos. Additionally, it includes subject-wise textual descriptions of emotions experienced during each stimulus gathered from qualitative interviews. The dataset consists of recordings from 37 participants and is the first dataset to pair raw text with physiological signals, providing additional contextual information that objective labels cannot offer. To leverage this dataset, we introduced the Contrastive Language Signal Pre-training (CLSP) method, which jointly learns representations using pairs of physiological signals and textual descriptions. Our results show that integrating self-reported textual descriptions with physiological signals significantly improves performance on emotion recognition tasks, such as arousal and valence classification. Moreover, our pre-trained CLSP model demonstrates strong zero-shot transferability to existing datasets, outperforming supervised baseline models, suggesting that the representations learned by our method are more contextualized and generalized. The dataset also includes baseline models for arousal, valence, and emotion classification, as well as code for data cleaning and feature extraction. Further details and access to the dataset are available at https://melangelabiiitd.github.io/EEVR/.

Entity alignment (EA) aims to merge two knowledge graphs (KGs) by identifying equivalent entity pairs. While existing methods heavily rely on human-generated labels, it is prohibitively expensive to incorporate cross-domain experts for annotation in real-world scenarios. The advent of Large Language Models (LLMs) presents new avenues for automating EA with annotations, inspired by their comprehensive capability to process semantic information. However, it is nontrivial to directly apply LLMs for EA since the annotation space in real-world KGs is large. LLMs could also generate noisy labels that may mislead the alignment. To this end, we propose a unified framework, LLM4EA, to effectively leverage LLMs for EA. Specifically, we design a novel active learning policy to significantly reduce the annotation space by prioritizing the most valuable entities based on the entire inter-KG and intra-KG structure. Moreover, we introduce an unsupervised label refiner to continuously enhance label accuracy through in-depth probabilistic reasoning. We iteratively optimize the policy based on the feedback from a base EA model. Extensive experiments demonstrate the advantages of LLM4EA on four benchmark datasets in terms of effectiveness, robustness, and efficiency.

Neural architecture search (NAS) finds high performing networks for a given task. Yet the results of NAS are fairly prosaic; they did not e.g. create a shift from convolutional structures to transformers. This is not least because the search spaces in NAS often aren’t diverse enough to include such transformations *a priori*. Instead, for NAS to provide greater potential for fundamental design shifts, we need a novel expressive search space design which is built from more fundamental operations. To this end, we introduce `einspace`, a search space based on a parameterised probabilistic context-free grammar. Our space is versatile, supporting architectures of various sizes and complexities, while also containing diverse network operations which allow it to model convolutions, attention components and more. It contains many existing competitive architectures, and provides flexibility for discovering new ones. Using this search space, we perform experiments to find novel architectures as well as improvements on existing ones on the diverse Unseen NAS datasets. We show that competitive architectures can be obtained by searching from scratch, and we consistently find large improvements when initialising the search with strong baselines. We believe that this work is an important advancement towards a transformative NAS paradigm where search space expressivity and strategic search initialisation play key roles.

In software development, resolving the emergent issues within GitHub repositories is a complex challenge that involves not only the incorporation of new code but also the maintenance of existing code. Large Language Models (LLMs) have shown promise in code generation but face difficulties in resolving Github issues, particularly at the repository level. To overcome this challenge, we empirically study the reason why LLMs fail to resolve GitHub issues and analyze the major factors. Motivated by the empirical findings, we propose a novel LLM-based **M**ulti-**A**gent framework for **G**itHub **I**ssue re**S**olution, **MAGIS**, consisting of four agents customized for software evolution: Manager, Repository Custodian, Developer, and Quality Assurance Engineer agents. This framework leverages the collaboration of various agents in the planning and coding process to unlock the potential of LLMs to resolve GitHub issues. In experiments, we employ the SWE-bench benchmark to compare MAGIS with popular LLMs, including GPT-3.5, GPT-4, and Claude-2. MAGIS can resolve **13.94%** GitHub issues, significantly outperforming the baselines. Specifically, MAGIS achieves an eight-fold increase in resolved ratio over the direct application of GPT-4, the advanced LLM.

Benchmarks for large multimodal language models (MLMs) now serve to simultaneously assess the general capabilities of models instead of evaluating for a specific capability. As a result, when a developer wants to identify which models to use for their application, they are overwhelmed by the number of benchmarks and remain uncertain about which benchmark's results are most reflective of their specific use case. This paper introduces Task-Me-Anything, a benchmark generation engine which produces a benchmark tailored to a user's needs. Task-Me-Anything maintains an extendable taxonomy of visual assets and can programmatically generate a vast number of task instances. Additionally, it algorithmically addresses user queries regarding MLM performance efficiently within a computational budget. It contains 113K images, 10K videos, 2K 3D object assets, over 365 object categories, 655 attributes, and 335 relationships. It can generate 500M image/video question-answering pairs, which focus on evaluating MLM perceptual capabilities. Task-Me-Anything reveals critical insights: open-source MLMs excel in object and attribute recognition but lack spatial and temporal understanding; each model exhibits unique strengths and weaknesses; larger models generally perform better, though exceptions exist; and GPT4O demonstrates challenges in recognizing rotating/moving objects and distinguishing colors.

In this work, we study the problem of communicating multiple samples from an unknown probability distribution using as few bits as possible. This is a generalization of the channel simulation problem, which has recently found applications and achieved state of the art results in realistic image compression, neural network compression, and communication-efficient federated learning. In this problem, the transmitter wants the receiver to generate multiple independent and identically distributed (i.i.d.) samples from a target distribution $P$, while the transmitter and the receiver have access to independent samples from a reference distribution $Q$. The core idea is to employ channel simulation in multiple rounds while updating the reference distribution $Q$ after each round in order to reduce the KL-divergence between $P$ and $Q$, thereby reducing the communication cost in subsequent rounds. We derive a lower bound on the expected communication cost and construct a practical algorithm that achieves the lower bound up to a multiplicative constant. We then employ this algorithm in communication-efficient federated learning, in which model updates correspond to samples from a distribution, and achieve a 37% reduction in the communication load. To further highlight the potential of sample communication for generative models, we show that the number of bits needed to communicate samples from a large language model can be reduced by up to 16 times, compared to entropy-based data compression.

Despite the widespread adoption of Graph Neural Networks (GNNs), these models often incorporate off-the-shelf normalization layers like BatchNorm or InstanceNorm, which were not originally designed for GNNs. Consequently, these normalization layers may not effectively capture the unique characteristics of graph-structured data, potentially even weakening the expressive power of the overall architecture. While existing graph-specific normalization layers have been proposed, they often struggle to offer substantial and consistent benefits. In this paper, we propose GRANOLA, a novel graph-adaptive normalization layer. Unlike existing normalization layers, GRANOLA normalizes node features by adapting to the specific characteristics of the graph, particularly by generating expressive representations of its nodes, obtained by leveraging the propagation of Random Node Features (RNF) in the graph. We provide theoretical results that support our design choices as well as an extensive empirical evaluation demonstrating the superior performance of GRANOLA over existing normalization techniques. Furthermore, GRANOLA emerges as the top-performing method among all baselines in the same time complexity class of Message Passing Neural Networks (MPNNs).

Stochastic gradient descent (SGD) is perhaps the most prevalent optimization method in modern machine learning. Contrary to the empirical practice of sampling from the datasets \emph{without replacement} and with (possible) reshuffling at each epoch, the theoretical counterpart of SGD usually relies on the assumption of \emph{sampling with replacement}. It is only very recently that SGD using sampling without replacement -- shuffled SGD -- has been analyzed with matching upper and lower bounds. However, we observe that those bounds are too pessimistic to explain often superior empirical performance of data permutations (sampling without replacement) over vanilla counterparts (sampling with replacement) on machine learning problems. Through fine-grained analysis in the lens of primal-dual cyclic coordinate methods and the introduction of novel smoothness parameters, we present several results for shuffled SGD on smooth and non-smooth convex losses, where our novel analysis framework provides tighter convergence bounds over all popular shuffling schemes (IG, SO, and RR). Notably, our new bounds predict faster convergence than existing bounds in the literature -- by up to a factor of $O(\sqrt{n})$, mirroring benefits from tighter convergence bounds using component smoothness parameters in randomized coordinate methods. Lastly, we numerically demonstrate on common machine learning datasets that our bounds are indeed much tighter, thus offering a bridge between theory and practice.

The domain adaptation method effectively mitigates the negative impact of domain gaps on the performance of super-resolution (SR) networks through the guidance of numerous target domain low-resolution (LR) images. However, in real-world scenarios, the availability of target domain LR images is often limited, sometimes even to just one, which inevitably impairs the domain adaptation performance of SR networks. We propose Instance-guided One-shot Domain Adaptation for Super-Resolution (IODA) to enable efficient domain adaptation with only a single unlabeled target domain LR image. To address the limited diversity of the target domain distribution caused by a single target domain LR image, we propose an instance-guided target domain distribution expansion strategy. This strategy effectively expands the diversity of the target domain distribution by generating instance-specific features focused on different instances within the image. For SR tasks emphasizing texture details, we propose an image-guided domain adaptation method. Compared to existing methods that use text representation for domain difference, this method utilizes pixel-level representation with higher granularity, enabling efficient domain adaptation guidance for SR networks. Finally, we validate the effectiveness of IODA on multiple datasets and various network architectures, achieving satisfactory one-shot domain adaptation for SR networks. Our code is available at https://github.com/ZaizuoTang/IODA.

We present a novel approach for test-time adaptation via online self-training, consisting of two components. First, we introduce a statistical framework that detects distribution shifts in the classifier's entropy values obtained on a stream of unlabeled samples. Second, we devise an online adaptation mechanism that utilizes the evidence of distribution shifts captured by the detection tool to dynamically update the classifier's parameters. The resulting adaptation process drives the distribution of test entropy values obtained from the self-trained classifier to match those of the source domain, building invariance to distribution shifts. This approach departs from the conventional self-training method, which focuses on minimizing the classifier's entropy. Our approach combines concepts in betting martingales and online learning to form a detection tool capable of quickly reacting to distribution shifts. We then reveal a tight relation between our adaptation scheme and optimal transport, which forms the basis of our novel self-supervised loss. Experimental results demonstrate that our approach improves test-time accuracy under distribution shifts while maintaining accuracy and calibration in their absence, outperforming leading entropy minimization methods across various scenarios.

Large language models have the ability to generate text that mimics patterns in their inputs. We introduce a simple Markov Chain sequence modeling task in order to study how this in-context learning capability emerges. In our setting, each example is sampled from a Markov chain drawn from a prior distribution over Markov chains. Transformers trained on this task form \emph{statistical induction heads} which compute accurate next-token probabilities given the bigram statistics of the context. During the course of training, models pass through multiple phases: after an initial stage in which predictions are uniform, they learn to sub-optimally predict using in-context single-token statistics (unigrams); then, there is a rapid phase transition to the correct in-context bigram solution. We conduct an empirical and theoretical investigation of this multi-phase process, showing how successful learning results from the interaction between the transformer's layers, and uncovering evidence that the presence of the simpler unigram solution may delay formation of the final bigram solution. We examine how learning is affected by varying the prior distribution over Markov chains, and consider the generalization of our in-context learning of Markov chains (ICL-MC) task to $n$-grams for $n > 2$.

Recent advancements in vision-language-to-image (VL2I) diffusion generation have made significant progress. While generating images from broad vision-language inputs holds promise, it also raises concerns about potential misuse, such as copying artistic styles without permission, which could have legal and social consequences. Therefore, it's crucial to establish governance frameworks to ensure ethical and copyright integrity, especially with widely used diffusion models. To address these issues, researchers have explored various approaches, such as dataset filtering, adversarial perturbations, machine unlearning, and inference-time refusals. However, these methods often lack either scalability or effectiveness. In response, we propose a new framework called causal representation editing (CRE), which extends representation editing from large language models (LLMs) to diffusion-based models. CRE enhances the efficiency and flexibility of safe content generation by intervening at diffusion timesteps causally linked to unsafe concepts. This allows for precise removal of harmful content while preserving acceptable content quality, demonstrating superior effectiveness, precision and scalability compared to existing methods. CRE can handle complex scenarios, including incomplete or blurred representations of unsafe concepts, offering a promising solution to challenges in managing harmful content generation in diffusion-based models.

Diffusion models have emerged as a powerful tool for generating high-quality images from textual descriptions. Despite their successes, these models often exhibit limited diversity in the sampled images, particularly when sampling with a high classifier-free guidance weight. To address this issue, we present Kaleido, a novel approach that enhances the diversity of samples by incorporating autoregressive latent priors. Kaleido integrates an autoregressive language model that encodes the original caption and generates latent variables, serving as abstract and intermediary representations for guiding and facilitating the image generation process. In this paper, we explore a variety of discrete latent representations, including textual descriptions, detection bounding boxes, object blobs, and visual tokens. These representations diversify and enrich the input conditions to the diffusion models, enabling more diverse outputs. Our experimental results demonstrate that Kaleido effectively broadens the diversity of the generated image samples from a given textual description while maintaining high image quality. Furthermore, we show that Kaleido adheres closely to the guidance provided by the generated latent variables, demonstrating its capability to effectively control and direct the image generation process.