NeurIPS 2024 Papers

3D Referring Expression Segmentation (3D-RES) aims to segment 3D objects by correlating referring expressions with point clouds. However, traditional approaches frequently encounter issues like over-segmentation or mis-segmentation, due to insufficient emphasis on spatial information of instances. In this paper, we introduce a Rule-Guided Spatial Awareness Network (RG-SAN) by utilizing solely the spatial information of the target instance for supervision. This approach enables the network to accurately depict the spatial relationships among all entities described in the text, thus enhancing the reasoning capabilities. The RG-SAN consists of the Text-driven Localization Module (TLM) and the Rule-guided Weak Supervision (RWS) strategy. The TLM initially locates all mentioned instances and iteratively refines their positional information. The RWS strategy, acknowledging that only target objects have supervised positional information, employs dependency tree rules to precisely guide the core instance’s positioning. Extensive testing on the ScanRefer benchmark has shown that RG-SAN not only establishes new performance benchmarks, with an mIoU increase of 5.1 points, but also exhibits significant improvements in robustness when processing descriptions with spatial ambiguity. All codes are available at https://github.com/sosppxo/RG-SAN.

To build intelligent machine learning systems, modern representation learning attempts to recover latent generative factors from data, such as in causal representation learning. A key question in this growing field is to provide rigorous conditions under which latent factors can be identified and thus, potentially learned. Motivated by extensive empirical literature on linear representations and concept learning, we propose to relax causal notions with a geometric notion of concepts. We formally define a notion of concepts and show rigorously that they can be provably recovered from diverse data. Instead of imposing assumptions on the "true" generative latent space, we assume that concepts can be represented linearly in this latent space. The tradeoff is that instead of identifying the "true" generative factors, we identify a subset of desired human-interpretable concepts that are relevant for a given application. Experiments on synthetic data, multimodal CLIP models and large language models supplement our results and show the utility of our approach. In this way, we provide a foundation for moving from causal representations to interpretable, concept-based representations by bringing together ideas from these two neighboring disciplines.

Visual text generation has significantly advanced through diffusion models aimed at producing images with readable and realistic text. Recent works primarily use a ControlNet-based framework, employing standard font text images to control diffusion models. Recognizing the critical role of control information in generating high-quality text, we investigate its influence from three perspectives: input encoding, role at different stages, and output features. Our findings reveal that: 1) Input control information has unique characteristics compared to conventional inputs like Canny edges and depth maps. 2) Control information plays distinct roles at different stages of the denoising process. 3) Output control features significantly differ from the base and skip features of the U-Net decoder in the frequency domain. Based on these insights, we propose TextGen, a novel framework designed to enhance generation quality by optimizing control information. We improve input and output features using Fourier analysis to emphasize relevant information and reduce noise. Additionally, we employ a two-stage generation framework to align the different roles of control information at different stages. Furthermore, we introduce an effective and lightweight dataset for training. Our method achieves state-of-the-art performance in both Chinese and English text generation. The code and dataset are available at https://github.com/CyrilSterling/TextGen.

Neural network architecture design requires making many crucial decisions. The common desiderata is that similar decisions, with little modifications, can be reused in a variety of tasks and applications. To satisfy that, architectures must provide promising latency and performance trade-offs, support a variety of tasks, scale efficiently with respect to the amounts of data and compute, leverage available data from other tasks, and efficiently support various hardware. To this end, we introduce AsCAN---a hybrid architecture, combining both convolutional and transformer blocks. We revisit the key design principles of hybrid architectures and propose a simple and effective \emph{asymmetric} architecture, where the distribution of convolutional and transformer blocks is \emph{asymmetric}, containing more convolutional blocks in the earlier stages, followed by more transformer blocks in later stages. AsCAN supports a variety of tasks: recognition, segmentation, class-conditional image generation, and features a superior trade-off between performance and latency. We then scale the same architecture to solve a large-scale text-to-image task and show state-of-the-art performance compared to the most recent public and commercial models. Notably, without performing any optimization of inference time our model shows faster execution, even when compared to works that do such optimization, highlighting the advantages and the value of our approach.

In the context of modern machine learning, models deployed in real-world scenarios often encounter diverse data shifts like covariate and semantic shifts, leading to challenges in both out-of-distribution (OOD) generalization and detection. Despite considerable attention to these issues separately, a unified framework for theoretical understanding and practical usage is lacking. To bridge the gap, we introduce a graph-theoretic framework to jointly tackle both OOD generalization and detection problems. By leveraging the graph formulation, data representations are obtained through the factorization of the graph's adjacency matrix, enabling us to derive provable error quantifying OOD generalization and detection performance. Empirical results showcase competitive performance in comparison to existing methods, thereby validating our theoretical underpinnings.

The aim of this work is to learn models of population dynamics of physical systems that feature stochastic and mean-field effects and that depend on physics parameters. The learned models can act as surrogates of classical numerical models to efficiently predict the system behavior over the physics parameters. Building on the Benamou-Brenier formula from optimal transport and action matching, we use a variational problem to infer parameter- and time-dependent gradient fields that represent approximations of the population dynamics. The inferred gradient fields can then be used to rapidly generate sample trajectories that mimic the dynamics of the physical system on a population level over varying physics parameters. We show that combining Monte Carlo sampling with higher-order quadrature rules is critical for accurately estimating the training objective from sample data and for stabilizing the training process. We demonstrate on Vlasov-Poisson instabilities as well as on high-dimensional particle and chaotic systems that our approach accurately predicts population dynamics over a wide range of parameters and outperforms state-of-the-art diffusion-based and flow-based modeling that simply condition on time and physics parameters.

Constructing fast samplers for unconditional diffusion and flow-matching models has received much attention recently; however, existing methods for solving *inverse problems*, such as super-resolution, inpainting, or deblurring, still require hundreds to thousands of iterative steps to obtain high-quality results. We propose a plug-and-play framework for constructing efficient samplers for inverse problems, requiring only *pre-trained* diffusion or flow-matching models. We present *Conditional Conjugate Integrators*, which leverage the specific form of the inverse problem to project the respective conditional diffusion/flow dynamics into a more amenable space for sampling. Our method complements popular posterior approximation methods for solving inverse problems using diffusion/flow models. We evaluate the proposed method's performance on various linear image restoration tasks across multiple datasets, employing diffusion and flow-matching models. Notably, on challenging inverse problems like 4x super-resolution on the ImageNet dataset, our method can generate high-quality samples in as few as *5* conditional sampling steps and outperforms competing baselines requiring 20-1000 steps. Our code will be publicly available at https://github.com/mandt-lab/c-pigdm.

Analyzing the motion of multiple biological agents, be it cells or individual animals, is pivotal for the understanding of complex collective behaviors. With the advent of advanced microscopy, detailed images of complex tissue formations involving multiple cell types have become more accessible in recent years. However, deciphering the underlying rules that govern cell movements is far from trivial. Here, we present a novel deep learning framework for estimating the underlying equations of motion from observed trajectories, a pivotal step in decoding such complex dynamics. Our framework integrates graph neural networks with neural differential equations, enabling effective prediction of two-body interactions based on the states of the interacting entities. We demonstrate the efficacy of our approach through two numerical experiments. First, we used simulated data from a toy model to tune the hyperparameters. Based on the obtained hyperparameters, we then applied this approach to a more complex model with non-reciprocal forces that mimic the collective dynamics of the cells of slime molds. Our results show that the proposed method can accurately estimate the functional forms of two-body interactions -- even when they are nonreciprocal -- thereby precisely replicating both individual and collective behaviors within these systems.

Current AI alignment methodologies rely on human-provided demonstrations or judgments, and the learned capabilities of AI systems would be upper-bounded by human capabilities as a result. This raises a challenging research question: How can we keep improving the systems when their capabilities have surpassed the levels of humans? This paper answers this question in the context of tackling hard reasoning tasks (e.g., level 4-5 MATH problems) via learning from human annotations on easier tasks (e.g., level 1-3 MATH problems), which we term as easy-to-hard generalization. Our key insight is that an evaluator (reward model) trained on supervisions for easier tasks can be effectively used for scoring candidate solutions of harder tasks and hence facilitating easy-to-hard generalization over different levels of tasks. Based on this insight, we propose a novel approach to scalable alignment, which firstly trains the (process-supervised) reward models on easy problems (e.g., level 1-3), and then uses them to evaluate the performance of policy models on hard problems. We show that such easy-to-hard generalization from evaluators can enable easy-to-hard generalizations in generators either through re-ranking or reinforcement learning (RL). Notably, our process-supervised 7b RL model and 34b model (reranking@1024) achieves an accuracy of 34.0% and 52.5% on MATH500, respectively, despite only using human supervision on easy problems. Our approach suggests a promising path toward AI systems that advance beyond the frontier of human supervision.

Vision-language models have shown impressive progress in recent years. However, existing models are largely limited to turn-based interactions, where each turn must be stepped (i.e., prompted) by the user. Open-ended, asynchronous interactions, where an AI model may proactively deliver timely responses or feedback based on the unfolding situation in real-time, are an open challenge. In this work, we present the QEVD benchmark and dataset, which explores human-AI interaction in the challenging, yet controlled, real-world domain of fitness coaching – a task which intrinsically requires monitoring live user activity and providing immediate feedback. The benchmark requires vision-language models to recognize complex human actions, identify possible mistakes, and provide appropriate feedback in real-time. Our experiments reveal the limitations of existing state-of-the-art vision-language models for such asynchronous situated interactions. Motivated by this, we propose a simple end-to-end streaming baseline that can respond asynchronously to human actions with appropriate feedback at the appropriate time.

Data selection has emerged as a core issue for large-scale visual-language model pretaining (e.g., CLIP), particularly with noisy web-curated datasets. Three main data selection approaches are: (1) leveraging external non-CLIP models to aid data selection, (2) training new CLIP-style embedding models that are more effective at selecting high-quality data than the original OpenAI CLIP model, and (3) designing better metrics or strategies universally applicable to any CLIP embedding without requiring specific model properties (e.g., CLIPScore is one popular metric). While the first two approaches have been extensively studied, the third remains under-explored. In this paper, we advance the third approach by proposing two new methods. Firstly, instead of classical CLIP scores that only consider the alignment between two modalities from a single sample, we introduce $\textbf{negCLIPLoss}$, a method inspired by CLIP training loss that adds the alignment between one sample and its contrastive pairs as an extra normalization term to CLIPScore for better quality measurement. Secondly, when downstream tasks are known, we propose a new norm-based metric, $\textbf{NormSim}$, to measure the similarity between pretraining data and target data. We test our methods on the data selection benchmark, DataComp [Gadre et al., 2023]. Compared to the best baseline using only OpenAI's CLIP-L/14, our methods achieve a 5.3\% improvement on ImageNet-1k and a 2.8\% improvement on 38 downstream evaluation tasks. Moreover, both $\textbf{negCLIPLoss}$ and $\textbf{NormSim}$ are compatible with existing techniques. By combining our methods with the current best methods DFN [Fang et al., 2023] and HYPE [Kim et al., 2024], we can boost average performance on downstream tasks by 0.9\%, achieving a new state-of-the-art on the DataComp-medium benchmark.

Synthesizing time series data is pivotal in modern society, aiding effective decision making and ensuring privacy preservation in various scenarios. Time series are associated with various attributes, including trends, seasonality, and external information such as location. Recent research has predominantly focused on random unconditional synthesis or conditional synthesis. Nonetheless, these paradigms generate time series from scratch and are incapable of manipulating existing time series samples. This paper introduces a novel task, called Time Series Editing (TSE), to synthesize time series by manipulating existing time series. The objective is to modify the given time series according to the specified attributes while preserving other properties unchanged. This task is not trivial due to the inadequacy of data coverage and the intricate relationships between time series and their attributes. To address these issues, we introduce a novel diffusion model, called TEdit. The proposed TEdit is trained using a novel bootstrap learning algorithm that effectively enhances the coverage of the original data. It is also equipped with an innovative multi-resolution modeling and generation paradigm to capture the complex relationships between time series and their attributes. Experimental results demonstrate the efficacy of TEdit for editing specified attributes upon the existing time series data. The project page is at https://seqml.github.io/tse.

We present Piecewise Rectified Flow (PeRFlow), a flow-based method for accelerating diffusion models. PeRFlow divides the sampling process of generative flows into several time windows and straightens the trajectories in each interval via the reflow operation, thereby approaching piecewise linear flows. PeRFlow achieves superior performance in a few-step generation. Moreover, through dedicated parameterizations, the PeRFlow models inherit knowledge from the pretrained diffusion models. Thus, the training converges fast and the obtained models show advantageous transfer ability, serving as universal plug-and-play accelerators that are compatible with various workflows based on the pre-trained diffusion models.

Remote photoplethysmography (rPPG) enables non-invasive extraction of blood volume pulse signals through imaging, transforming spatial-temporal data into time series signals. Advances in end-to-end rPPG approaches have focused on this transformation where attention mechanisms are crucial for feature extraction. However, existing methods compute attention disjointly across spatial, temporal, and channel dimensions. Here, we propose the Factorized Self-Attention Module (FSAM), which jointly computes multidimensional attention from voxel embeddings using nonnegative matrix factorization. To demonstrate FSAM's effectiveness, we developed FactorizePhys, an end-to-end 3D-CNN architecture for estimating blood volume pulse signals from raw video frames. Our approach adeptly factorizes voxel embeddings to achieve comprehensive spatial, temporal, and channel attention, enhancing performance of generic signal extraction tasks. Furthermore, we deploy FSAM within an existing 2D-CNN-based rPPG architecture to illustrate its versatility. FSAM and FactorizePhys are thoroughly evaluated against state-of-the-art rPPG methods, each representing different types of architecture and attention mechanism. We perform ablation studies to investigate the architectural decisions and hyperparameters of FSAM. Experiments on four publicly available datasets and intuitive visualization of learned spatial-temporal features substantiate the effectiveness of FSAM and enhanced cross-dataset generalization in estimating rPPG signals, suggesting its broader potential as a multidimensional attention mechanism. The code is accessible at https://github.com/PhysiologicAILab/FactorizePhys.

Current question-answering benchmarks predominantly focus on accuracy in realizable prediction tasks. Conditioned on a question and answer-key, does the most likely token match the ground truth? Such benchmarks necessarily fail to evaluate LLMs' ability to quantify ground-truth outcome uncertainty. In this work, we focus on the use of LLMs as risk scores for unrealizable prediction tasks. We introduce folktexts, a software package to systematically generate risk scores using LLMs, and evaluate them against US Census data products. A flexible API enables the use of different prompting schemes, local or web-hosted models, and diverse census columns that can be used to compose custom prediction tasks. We evaluate 17 recent LLMs across five proposed benchmark tasks. We find that zero-shot risk scores produced by multiple-choice question-answering have high predictive signal but are widely miscalibrated. Base models consistently overestimate outcome uncertainty, while instruction-tuned models underestimate uncertainty and produce over-confident risk scores. In fact, instruction-tuning polarizes answer distribution regardless of true underlying data uncertainty. This reveals a general inability of instruction-tuned models to express data uncertainty using multiple-choice answers. A separate experiment using verbalized chat-style risk queries yields substantially improved calibration across instruction-tuned models. These differences in ability to quantify data uncertainty cannot be revealed in realizable settings, and highlight a blind-spot in the current evaluation ecosystem that folktexts covers.

With increasing privacy concerns in artificial intelligence, regulations have mandated the right to be forgotten, granting individuals the right to withdraw their data from models. Machine unlearning has emerged as a potential solution to enable selective forgetting in models, particularly in recommender systems where historical data contains sensitive user information. Despite recent advances in recommendation unlearning, evaluating unlearning methods comprehensively remains challenging due to the absence of a unified evaluation framework and overlooked aspects of deeper influence, e.g., fairness. To address these gaps, we propose CURE4Rec, the first comprehensive benchmark for recommendation unlearning evaluation. CURE4Rec covers four aspects, i.e., unlearning Completeness, recommendation Utility, unleaRning efficiency, and recommendation fairnEss, under three data selection strategies, i.e., core data, edge data, and random data. Specifically, we consider the deeper influence of unlearning on recommendation fairness and robustness towards data with varying impact levels. We construct multiple datasets with CURE4Rec evaluation and conduct extensive experiments on existing recommendation unlearning methods. Our code is released at https://github.com/xiye7lai/CURE4Rec.

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.