NeurIPS 2024 Papers

Mixed time series (MiTS) comprising both continuous variables (CVs) and discrete variables (DVs) are frequently encountered yet under-explored in time series analysis. Essentially, CVs and DVs exhibit different temporal patterns and distribution types. Overlooking these heterogeneities would lead to insufficient and imbalanced representation learning, bringing biased results. This paper addresses the problem with two insights: 1) DVs may originate from intrinsic latent continuous variables (LCVs), which lose fine-grained information due to extrinsic discretization; 2) LCVs and CVs share similar temporal patterns and interact spatially. Considering these similarities and interactions, we propose a general MiTS analysis framework MiTSformer, which recovers LCVs behind DVs for sufficient and balanced spatial-temporal modeling by designing two essential inductive biases: 1) hierarchically aggregating multi-scale temporal context information to enrich the information granularity of DVs; 2) adaptively learning the aggregation processes via the adversarial guidance from CVs. Subsequently, MiTSformer captures complete spatial-temporal dependencies within and across LCVs and CVs via cascaded self- and cross-attention blocks. Empirically, MiTSformer achieves consistent SOTA on five mixed time series analysis tasks, including classification, extrinsic regression, anomaly detection, imputation, and long-term forecasting. The code is available at https://github.com/chunhuiz/MiTSformer.

Unsupervised semantic segmentation aims to discover groupings within images, capturing objects' view-invariance without external supervision. Moreover, this task is inherently ambiguous due to the varying levels of semantic granularity. Existing methods often bypass this ambiguity using dataset-specific priors. In our research, we address this ambiguity head-on and provide a universal tool for pixel-level semantic parsing of images guided by the latent representations encoded in self-supervised models. We introduce a novel algebraic approach that recursively decomposes an image into nested subgraphs, dynamically estimating their count and ensuring clear separation. The innovative approach identifies scene-specific primitives and constructs a hierarchy-agnostic tree of semantic regions from the image pixels. The model captures fine and coarse semantic details, producing a nuanced and unbiased segmentation. We present a new metric for estimating the quality of the semantic segmentation of discovered elements on different levels of the hierarchy. The metric validates the intrinsic nature of the compositional relations among parts, objects, and scenes in a hierarchy-agnostic domain. Our results prove the power of this methodology, uncovering semantic regions without prior definitions and scaling effectively across various datasets. This robust framework for unsupervised image segmentation proves more accurate semantic hierarchical relationships between scene elements than traditional algorithms. The experiments underscore its potential for broad applicability in image analysis tasks, showcasing its ability to deliver a detailed and unbiased segmentation that surpasses existing unsupervised methods.

Foundation models are becoming valuable tools in medicine. Yet despite their promise, the best way to leverage Large Language Models (LLMs) in complex medical tasks remains an open question. We introduce a novel multi-agent framework, named **M**edical **D**ecision-making **Agents** (**MDAgents**) that helps to address this gap by automatically assigning a collaboration structure to a team of LLMs. The assigned solo or group collaboration structure is tailored to the medical task at hand, a simple emulation inspired by the way real-world medical decision-making processes are adapted to tasks of different complexities. We evaluate our framework and baseline methods using state-of-the-art LLMs across a suite of real-world medical knowledge and clinical diagnosis benchmarks, including a comparison of LLMs’ medical complexity classification against human physicians. MDAgents achieved the **best performance in seven out of ten** benchmarks on tasks requiring an understanding of medical knowledge and multi-modal reasoning, showing a significant **improvement of up to 4.2\%** ($p$ < 0.05) compared to previous methods' best performances. Ablation studies reveal that MDAgents effectively determines medical complexity to optimize for efficiency and accuracy across diverse medical tasks. Notably, the combination of moderator review and external medical knowledge in group collaboration resulted in an average accuracy **improvement of 11.8\%**. Our code can be found at https://github.com/mitmedialab/MDAgents.

We present Preference Flow Matching (PFM), a new framework for preference alignment that streamlines the integration of preferences into an arbitrary class of pre-trained models. Existing alignment methods require fine-tuning pre-trained models, which presents challenges such as scalability, inefficiency, and the need for model modifications, especially with black-box APIs like GPT-4. In contrast, PFM utilizes flow matching techniques to directly learn from preference data, thereby reducing the dependency on extensive fine-tuning of pre-trained models. By leveraging flow-based models, PFM transforms less preferred data into preferred outcomes, and effectively aligns model outputs with human preferences without relying on explicit or implicit reward function estimation, thus avoiding common issues like overfitting in reward models. We provide theoretical insights that support our method’s alignment with standard preference alignment objectives. Experimental results indicate the practical effectiveness of our method, offering a new direction in aligning a pre-trained model to preference. Our code is available at https://github.com/jadehaus/preference-flow-matching.

Selling a single item to $n$ self-interested bidders is a fundamental problem in economics, where the two objectives typically considered are welfare maximization and revenue maximization. Since the optimal auctions are often impractical and do not work for sequential bidders, posted pricing auctions, where fixed prices are set for the item for different bidders, have emerged as a practical and effective alternative. This paper investigates how many samples are needed from bidders' value distributions to find near-optimal posted prices, considering both independent and correlated bidder distributions, and welfare versus revenue maximization. We obtain matching upper and lower bounds (up to logarithmic terms) on the sample complexity for all these settings.

Event cameras, offering high temporal resolution and high dynamic range, have brought a new perspective to addressing 3D reconstruction challenges in fast-motion and low-light scenarios. Most methods use the Neural Radiance Field (NeRF) for event-based photorealistic 3D reconstruction. However, these NeRF methods suffer from time-consuming training and inference, as well as limited scene-editing capabilities of implicit representations. To address these problems, we propose Event-3DGS, the first event-based reconstruction using 3D Gaussian splatting (3DGS) for synthesizing novel views freely from event streams. Technically, we first propose an event-based 3DGS framework that directly processes event data and reconstructs 3D scenes by simultaneously optimizing scenario and sensor parameters. Then, we present a high-pass filter-based photovoltage estimation module, which effectively reduces noise in event data to improve the robustness of our method in real-world scenarios. Finally, we design an event-based 3D reconstruction loss to optimize the parameters of our method for better reconstruction quality. The results show that our method outperforms state-of-the-art methods in terms of reconstruction quality on both simulated and real-world datasets. We also verify that our method can perform robust 3D reconstruction even in real-world scenarios with extreme noise, fast motion, and low-light conditions. Our code is available in https://github.com/lanpokn/Event-3DGS.

One important property of DIstribution Correction Estimation (DICE) methods is that the solution is the optimal stationary distribution ratio between the optimized and data collection policy. In this work, we show that DICE-based methods can be viewed as a transformation from the behavior distribution to the optimal policy distribution. Based on this, we propose a novel approach, Diffusion-DICE, that directly performs this transformation using diffusion models. We find that the optimal policy's score function can be decomposed into two terms: the behavior policy's score function and the gradient of a guidance term which depends on the optimal distribution ratio. The first term can be obtained from a diffusion model trained on the dataset and we propose an in-sample learning objective to learn the second term. Due to the multi-modality contained in the optimal policy distribution, the transformation in Diffusion-DICE may guide towards those local-optimal modes. We thus generate a few candidate actions and carefully select from them to achieve global-optimum. Different from all other diffusion-based offline RL methods, the \textit{guide-then-select} paradigm in Diffusion-DICE only uses in-sample actions for training and brings minimal error exploitation in the value function. We use a didatic toycase example to show how previous diffusion-based methods fail to generate optimal actions due to leveraging these errors and how Diffusion-DICE successfully avoid that. We then conduct extensive experiments on benchmark datasets to show the strong performance of Diffusion-DICE.

The pretraining data of today's strongest language models remains opaque, even when their parameters are open-sourced. In particular, little is known about the proportions of different domains, languages, or code represented in the data. While a long line of membership inference attacks aim to identify training examples on an instance level, they do not extend easily to *global* statistics about the corpus. In this work, we tackle a task which we call *data mixture inference*, which aims to uncover the distributional make-up of the pretraining data. We introduce a novel attack based on a previously overlooked source of information — byte-pair encoding (BPE) tokenizers, used by the vast majority of modern language models. Our key insight is that the ordered vocabulary learned by a BPE tokenizer naturally reveals information about the token frequencies in its training data: the first token is the most common byte pair, the second is the most common pair after merging the first token, and so on. Given a tokenizer's merge list along with data samples for each category of interest (e.g., different natural languages), we formulate a linear program that solves for the relative proportion of each category in the tokenizer's training set. Importantly, to the extent to which tokenizer training data is representative of the pretraining data, we indirectly learn about the pretraining data. In controlled experiments, we show that our attack can recover mixture ratios with high precision for tokenizers trained on known mixtures of natural languages, programming languages, and data sources. We then apply our approach to off-the-shelf tokenizers released alongside recent LMs. We confirm much publicly disclosed information about these models, and also make several new inferences: GPT-4o is much more multilingual than its predecessors, training on 10x more non-English data than GPT-3.5, Llama 3 and Claude are trained on predominantly code, and many recent models are trained on 7-16% books. We hope our work sheds light on current design practices for pretraining data, and inspires continued research into data mixture inference for LMs.

It has repeatedly been observed that loss minimization by stochastic gradient descent (SGD) leads to heavy-tailed distributions of neural network parameters. Here, we analyze a continuous diffusion approximation of SGD, called homogenized stochastic gradient descent (hSGD), and show in a regularized linear regression framework that it leads to an asymptotically heavy-tailed parameter distribution, even though local gradient noise is Gaussian. We give explicit upper and lower bounds on the tail-index of the resulting parameter distribution and validate these bounds in numerical experiments. Moreover, the explicit form of these bounds enables us to quantify the interplay between optimization hyperparameters and the tail-index. Doing so, we contribute to the ongoing discussion on links between heavy tails and the generalization performance of neural networks as well as the ability of SGD to avoid suboptimal local minima.

Open-vocabulary 3D object detection has recently attracted considerable attention due to its broad applications in autonomous driving and robotics, which aims to effectively recognize novel classes in previously unseen domains. However, existing point cloud-based open-vocabulary 3D detection models are limited by their high deployment costs. In this work, we propose a novel open-vocabulary monocular 3D object detection framework, dubbed OVM3D-Det, which trains detectors using only RGB images, making it both cost-effective and scalable to publicly available data. Unlike traditional methods, OVM3D-Det does not require high-precision LiDAR or 3D sensor data for either input or generating 3D bounding boxes. Instead, it employs open-vocabulary 2D models and pseudo-LiDAR to automatically label 3D objects in RGB images, fostering the learning of open-vocabulary monocular 3D detectors. However, training 3D models with labels directly derived from pseudo-LiDAR is inadequate due to imprecise boxes estimated from noisy point clouds and severely occluded objects. To address these issues, we introduce two innovative designs: adaptive pseudo-LiDAR erosion and bounding box refinement with prior knowledge from large language models. These techniques effectively calibrate the 3D labels and enable RGB-only training for 3D detectors. Extensive experiments demonstrate the superiority of OVM3D-Det over baselines in both indoor and outdoor scenarios. The code will be released.

Exploring the intricate dynamics between muscular and skeletal structures is pivotal for understanding human motion. This domain presents substantial challenges, primarily attributed to the intensive resources required for acquiring ground truth muscle activation data, resulting in a scarcity of datasets. In this work, we address this issue by establishing Muscles in Time (MinT), a large-scale synthetic muscle activation dataset. For the creation of MinT, we enriched existing motion capture datasets by incorporating muscle activation simulations derived from biomechanical human body models using the OpenSim platform, a common framework used in biomechanics and human motion research. Starting from simple pose sequences, our pipeline enables us to extract detailed information about the timing of muscle activations within the human musculoskeletal system. Muscles in Time contains over nine hours of simulation data covering 227 subjects and 402 simulated muscle strands. We demonstrate the utility of this dataset by presenting results on neural network-based muscle activation estimation from human pose sequences with two different sequence-to-sequence architectures.

Existing video multi-modal sentiment analysis mainly focuses on the sentiment expression of people within the video, yet often neglects the induced sentiment of viewers while watching the videos. Induced sentiment of viewers is essential for inferring the public response to videos and has broad application in analyzing public societal sentiment, effectiveness of advertising and other areas. The micro videos and the related comments provide a rich application scenario for viewers’ induced sentiment analysis. In light of this, we introduces a novel research task, Multimodal Sentiment Analysis for Comment Response of Video Induced(MSA-CRVI), aims to infer opinions and emotions according to comments response to micro video. Meanwhile, we manually annotate a dataset named Comment Sentiment toward to Micro Video (CSMV) to support this research. It is the largest video multi-modal sentiment dataset in terms of scale and video duration to our knowledge, containing 107, 267 comments and 8, 210 micro videos with a video duration of 68.83 hours. To infer the induced sentiment of comment should leverage the video content, we propose the Video Content-aware Comment Sentiment Analysis (VC-CSA) method as a baseline to address the challenges inherent in this new task. Extensive experiments demonstrate that our method is showing significant improvements over other established baselines. We make the dataset and source code publicly available at https://github.com/IEIT-AGI/MSA-CRVI.

Given a graph $G$ and a positive integer $k$, the Graphlet Sampling problem asks to sample a connected induced $k$-vertex subgraph of $G$ uniformly at random. Graphlet sampling enhances machine learning applications by transforming graph structures into feature vectors for tasks such as graph classification and subgraph identification, boosting neural network performance, and supporting clustered federated learning by capturing local structures and relationships. A recent work has shown that the problem admits an algorithm that preprocesses $G$ in time $O(nk^2 \log k + m)$, and draws one sample in expected time $k^{O(k)} \log n$, where $n=|V(G)|$ and $m=|E(G)|$. Such an algorithm relies on the assumption that the input graph fits into main memory and it does not seem to be straightforward to adapt it to very large graphs. We consider Graphlet Sampling in the semi-streaming setting, where we have a memory of $M = \Omega(n \log n)$ words, and $G$ can be only read through sequential passes over the edge list. We develop a semi-streaming algorithm that preprocesses $G$ in $p={O}(\log n)$ passes and samples $\Theta(M k^{-O(k)})$ independent uniform $k$-graphlets in $O(k)$ passes. For constant $k$, both phases run in time $O((n+m)\log n)$. We also show that the tradeoff between memory and number of passes of our algorithms is near-optimal. Our extensive evaluation on very large graphs shows the effectiveness of our algorithms.

We provide a full characterization of the concept classes that are optimistically universally online learnable with {0, 1} labels. The notion of optimistically universal online learning was defined in [Hanneke, 2021] in order to understand learnability under minimal assumptions. In this paper, following the philosophy behind that work, we investigate two questions, namely, for every concept class: (1) What are the minimal assumptions on the data process admitting online learnability? (2) Is there a learning algorithm which succeeds under every data process satisfying the minimal assumptions? Such an algorithm is said to be optimistically universal for the given concept class. We resolve both of these questions for all concept classes, and moreover, as part of our solution we design general learning algorithms for each case. Finally, we extend these algorithms and results to the agnostic case, showing an equivalence between the minimal assumptions on the data process for learnability in the agnostic and realizable cases, for every concept class, as well as the equivalence of optimistically universal learnability.

Multi-relational temporal graphs are powerful tools for modeling real-world data, capturing the evolving and interconnected nature of entities over time. Recently, many novel models are proposed for ML on such graphs intensifying the need for robust evaluation and standardized benchmark datasets. However, the availability of such resources remains scarce and evaluation faces added complexity due to reproducibility issues in experimental protocols. To address these challenges, we introduce Temporal Graph Benchmark 2.0 (TGB 2.0), a novel benchmarking framework tailored for evaluating methods for predicting future links on Temporal Knowledge Graphs and Temporal Heterogeneous Graphs with a focus on large-scale datasets, extending the Temporal Graph Benchmark. TGB 2.0 facilitates comprehensive evaluations by presenting eight novel datasets spanning five domains with up to 53 million edges. TGB 2.0 datasets are significantly larger than existing datasets in terms of number of nodes, edges, or timestamps. In addition, TGB 2.0 provides a reproducible and realistic evaluation pipeline for multi-relational temporal graphs. Through extensive experimentation, we observe that 1) leveraging edge-type information is crucial to obtain high performance, 2) simple heuristic baselines are often competitive with more complex methods, 3) most methods fail to run on our largest datasets, highlighting the need for research on more scalable methods.

Performative prediction aims to model scenarios where predictive outcomes subsequently influence the very systems they target. The pursuit of a performative optimum (PO)—minimizing performative risk—is generally reliant on modeling of the distribution map, which characterizes how a deployed ML model alters the data distribution. Unfortunately, inevitable misspecification of the distribution map can lead to a poor approximation of the true PO. To address this issue, we introduce a novel framework of distributionally robust performative prediction and study a new solution concept termed as distributionally robust performative optimum (DRPO). We show provable guarantees for DRPO as a robust approximation to the true PO when the nominal distribution map is different from the actual one. Moreover, distributionally robust performative prediction can be reformulated as an augmented performative prediction problem, enabling efficient optimization. The experimental results demonstrate that DRPO offers potential advantages over traditional PO approach when the distribution map is misspecified at either micro- or macro-level.

Meta-learning empowers data-hungry deep neural networks to rapidly learn from merely a few samples, which is especially appealing to tasks with small datasets. Critical in this context is the *prior knowledge* accumulated from related tasks. Existing meta-learning approaches typically rely on preselected priors, such as a Gaussian probability density function (pdf). The limited expressiveness of such priors however, hinders the enhanced performance of the trained model when dealing with tasks having exceedingly scarce data. Targeting improved expressiveness, this contribution introduces a *data-driven* prior that optimally fits the provided tasks using a novel non-injective change-of-variable (NCoV) model. Unlike preselected prior pdfs with fixed shapes, the advocated NCoV model can effectively approximate a considerably wide range of pdfs. Moreover, compared to conventional change-of-variable models, the introduced NCoV exhibits augmented expressiveness for pdf modeling, especially in high-dimensional spaces. Theoretical analysis underscores the appealing universal approximation capacity of the NCoV model. Numerical experiments conducted on three few-shot learning datasets validate the superiority of data-driven priors over the prespecified ones, showcasing its pronounced effectiveness when dealing with extremely limited data resources.

Large Language Models for code (code LLMs) have witnessed tremendous progress in recent years. With the rapid development of code LLMs, many popular evaluation benchmarks, such as HumanEval, DS-1000, and MBPP, have emerged to measure the performance of code LLMs with a particular focus on code generation tasks. However, they are insufficient to cover the full range of expected capabilities of code LLMs, which span beyond code generation to answering diverse coding-related questions. To fill this gap, we propose InfiBench, the first large-scale freeform question-answering (QA) benchmark for code to our knowledge, comprising 234 carefully selected high-quality Stack Overflow questions that span across 15 programming languages. InfiBench uses four types of model-free automatic metrics to evaluate response correctness where domain experts carefully concretize the criterion for each question. We conduct a systematic evaluation for over 100 latest code LLMs on InfiBench, leading to a series of novel and insightful findings. Our detailed analyses showcase potential directions for further advancement of code LLMs. InfiBench is fully open source at https://infi-coder.github.io/infibench and continuously expanding to foster more scientific and systematic practices for code LLM evaluation.

One-shot Federated Learning (OFL) significantly reduces communication costs in FL by aggregating trained models only once. However, the performance of advanced OFL methods is far behind the normal FL. In this work, we provide a causal view to find that this performance drop of OFL methods comes from the isolation problem, which means that local isolatedly trained models in OFL may easily fit to spurious correlations due to the data heterogeneity. From the causal perspective, we observe that the spurious fitting can be alleviated by augmenting intermediate features from other clients. Built upon our observation, we propose a novel learning approach to endow OFL with superb performance and low communication and storage costs, termed as FuseFL. Specifically, FuseFL decomposes neural networks into several blocks, and progressively trains and fuses each block following a bottom-up manner for feature augmentation, introducing no additional communication costs. Comprehensive experiments demonstrate that FuseFL outperforms existing OFL and ensemble FL by a significant margin. We conduct comprehensive experiments to show that FuseFL supports high scalability of clients, heterogeneous model training, and low memory costs. Our work is the first attempt using causality to analyze and alleviate data heterogeneity of OFL.