NeurIPS 2024 论文列表

Spatial transcriptomics enables interrogating the molecular composition of tissue with ever-increasing resolution and sensitivity. However, costs, rapidly evolving technology, and lack of standards have constrained computational methods in ST to narrow tasks and small cohorts. In addition, the underlying tissue morphology, as reflected by H&E-stained whole slide images (WSIs), encodes rich information often overlooked in ST studies. Here, we introduce HEST-1k, a collection of 1,229 spatial transcriptomic profiles, each linked to a WSI and extensive metadata. HEST-1k was assembled from 153 public and internal cohorts encompassing 26 organs, two species (Homo Sapiens and Mus Musculus), and 367 cancer samples from 25 cancer types. HEST-1k processing enabled the identification of 2.1 million expression-morphology pairs and over 76 million nuclei. To support its development, we additionally introduce the HEST-Library, a Python package designed to perform a range of actions with HEST samples. We test HEST-1k and Library on three use cases: (1) benchmarking foundation models for pathology (HEST-Benchmark), (2) biomarker exploration, and (3) multimodal representation learning. HEST-1k, HEST-Library, and HEST-Benchmark can be freely accessed at https://github.com/mahmoodlab/hest.

Machine learning applied to blockchain graphs offers significant opportunities for enhanced data analysis and applications. However, the potential of this field is constrained by the lack of a large-scale, cross-chain dataset that includes hierarchical graph-level data. To address this issue, we present novel datasets that provide detailed label information at the token level and integrate interactions between tokens across multiple blockchain platforms. We model transactions within each token as local graphs and the relationships between tokens as global graphs, collectively forming a "Graphs of Graphs" (GoG) approach. This innovative approach facilitates a deeper understanding of systemic structures and hierarchical interactions, which are essential for applications such as link prediction, anomaly detection, and token classification. We conduct a series of experiments demonstrating that this dataset delivers new insights and challenges for exploring GoG within the blockchain domain. Our work promotes advancements and opens new avenues for research in both the blockchain and graph communities. Source code and datasets are available at https://github.com/Xtra-Computing/Cryptocurrency-Graphs-of-graphs.

Empowering 3D Gaussian Splatting with generalization ability is appealing. However, existing generalizable 3D Gaussian Splatting methods are largely confined to narrow-range interpolation between stereo images due to their heavy backbones, thus lacking the ability to accurately localize 3D Gaussian and support free-view synthesis across wide view range. In this paper, we present a novel framework FreeSplat that is capable of reconstructing geometrically consistent 3D scenes from long sequence input towards free-view synthesis.Specifically, we firstly introduce Low-cost Cross-View Aggregation achieved by constructing adaptive cost volumes among nearby views and aggregating features using a multi-scale structure. Subsequently, we present the Pixel-wise Triplet Fusion to eliminate redundancy of 3D Gaussians in overlapping view regions and to aggregate features observed across multiple views. Additionally, we propose a simple but effective free-view training strategy that ensures robust view synthesis across broader view range regardless of the number of views. Our empirical results demonstrate state-of-the-art novel view synthesis peformances in both novel view rendered color maps quality and depth maps accuracy across different numbers of input views. We also show that FreeSplat performs inference more efficiently and can effectively reduce redundant Gaussians, offering the possibility of feed-forward large scene reconstruction without depth priors. Our code will be made open-source upon paper acceptance.

In this paper, we present the first explicit and non-asymptotic global convergence rates of the BFGS method when implemented with an inexact line search scheme satisfying the Armijo-Wolfe conditions. We show that BFGS achieves a global linear convergence rate of $(1 - \frac{1}{\kappa})^t$ for $\mu$-strongly convex functions with $L$-Lipschitz gradients, where $\kappa = \frac{L}{\mu}$ represents the condition number. Additionally, if the objective function's Hessian is Lipschitz, BFGS with the Armijo-Wolfe line search achieves a linear convergence rate that depends solely on the line search parameters, independent of the condition number. We also establish a global superlinear convergence rate of $\mathcal{O}((\frac{1}{t})^t)$. These global bounds are all valid for any starting point $x_0$ and any symmetric positive definite initial Hessian approximation matrix $B_0$, though the choice of $B_0$ impacts the number of iterations needed to achieve these rates. By synthesizing these results, we outline the first global complexity characterization of BFGS with the Armijo-Wolfe line search. Additionally, we clearly define a mechanism for selecting the step size to satisfy the Armijo-Wolfe conditions and characterize its overall complexity.

Feature attributions attempt to highlight what inputs drive predictive power. Good attributions or explanations are thus those that produce inputs that retain this predictive power; accordingly, evaluations of explanations score their quality of prediction. However, evaluations produce scores better than what appears possible from the values in the explanation for a class of explanations, called encoding explanations. Probing for encoding remains a challenge because there is no general characterization of what gives the extra predictive power. We develop a definition of encoding that identifies this extra predictive power via conditional dependence and show that the definition fits existing examples of encoding. This definition implies, in contrast to encoding explanations, that non-encoding explanations contain all the informative inputs used to produce the explanation, giving them a “what you see is what you get” property, which makes them transparent and simple to use. Next, we prove that existing scores (ROAR, FRESH, EVAL-X) do not rank non-encoding explanations above encoding ones, and develop STRIPE-X which ranks them correctly. After empirically demonstrating the theoretical insights, we use STRIPE-X to show that despite prompting an LLM to produce non-encoding explanations for a sentiment analysis task, the LLM-generated explanations encode.

Large Multimodal Models (LMMs) have shown remarkable capabilities across a variety of tasks (e.g., image captioning, visual question answering). While broad, their knowledge remains generic (e.g., recognizing a dog), and they are unable to handle personalized subjects (e.g., recognizing a user's pet dog). Human reasoning, in contrast, typically operates within the context of specific subjects in our surroundings. For example, one might ask, "What should I buy for *my dog*'s birthday?"; as opposed to a generic inquiry about "What should I buy for *a dog*'s birthday?". Similarly, when looking at a friend's image, the interest lies in seeing their activities (e.g., "*my friend* is holding a cat"), rather than merely observing generic human actions (e.g., "*a man* is holding a cat"). In this paper, we introduce the novel task of personalizing LMMs, so that they can have conversations about a specific subject. We propose Yo'LLaVA, which learns to embed a personalized subject into a set of latent tokens given a handful of example images of the subject. Our qualitative and quantitative analyses reveal that Yo'LLaVA can learn the concept more efficiently using fewer tokens and more effectively encode the visual attributes compared to strong prompting baselines (e.g., LLaVA).

In recent years, there has been a surge of interest in the use of machine-learned predictions to bypass worst-case lower bounds for classical problems in combinatorial optimization. So far, the focus has mostly been on online algorithms, where information-theoretic barriers are overcome using predictions about the unknown future. In this paper, we consider the complementary question of using learned information to overcome computational barriers in the form of approximation hardness of polynomial-time algorithms for NP-hard (offline) problems. We show that noisy predictions about the optimal solution can be used to break classical hardness results for maximization problems such as the max-cut problem and more generally, maximization versions of constraint satisfaction problems (CSPs).

We introduce a novel framework, Online Relational Inference (ORI), designed to efficiently identify hidden interaction graphs in evolving multi-agent interacting systems using streaming data. Unlike traditional offline methods that rely on a fixed training set, ORI employs online backpropagation, updating the model with each new data point, thereby allowing it to adapt to changing environments in real-time. A key innovation is the use of an adjacency matrix as a trainable parameter, optimized through a new adaptive learning rate technique called AdaRelation, which adjusts based on the historical sensitivity of the decoder to changes in the interaction graph. Additionally, a data augmentation method named Trajectory Mirror (TM) is introduced to improve generalization by exposing the model to varied trajectory patterns. Experimental results on both synthetic datasets and real-world data (CMU MoCap for human motion) demonstrate that ORI significantly improves the accuracy and adaptability of relational inference in dynamic settings compared to existing methods. This approach is model-agnostic, enabling seamless integration with various neural relational inference (NRI) architectures, and offers a robust solution for real-time applications in complex, evolving systems.

We present NN4SysBench, a benchmark suite for neural network verification that is composed of applications from the domain of computer systems. We call these neural networks for computer systems or NN4Sys. NN4Sys is booming: there are many proposals for using neural networks in computer systems—for example, databases, OSes, and networked systems—many of which are safety critical. Neural network verification is a technique to formally verify whether neural networks satisfy safety properties. We however observe that NN4Sys has some unique characteristics that today’s verification tools overlook and have limited support. Therefore, this benchmark suite aims at bridging the gap between NN4Sys and the verification by using impactful NN4Sys applications as benchmarks to illustrate computer systems’ unique challenges. We also build a compatible version of NN4SysBench, so that today’s verifiers can also work on these benchmarks with approximately the same verification difficulties. The code is available at https://github.com/lydialin1212/NN4Sys_Benchmark.

We demonstrate that numerous machine learning algorithms are specific instances of one single paradigm: reciprocal learning. These instances range from active learning over multi-armed bandits to self-training. We show that all these algorithms not only learn parameters from data but also vice versa: They iteratively alter training data in a way that depends on the current model fit. We introduce reciprocal learning as a generalization of these algorithms using the language of decision theory. This allows us to study under what conditions they converge. The key is to guarantee that reciprocal learning contracts such that the Banach fixed-point theorem applies. In this way, we find that reciprocal learning converges at linear rates to an approximately optimal model under some assumptions on the loss function, if their predictions are probabilistic and the sample adaption is both non-greedy and either randomized or regularized. We interpret these findings and provide corollaries that relate them to active learning, self-training, and bandits.

Neural models learn data representations that lie on low-dimensional manifolds, yet modeling the relation between these representational spaces is an ongoing challenge. By integrating spectral geometry principles into neural modeling, we show that this problem can be better addressed in the functional domain, mitigating complexity, while enhancing interpretability and performances on downstream tasks. To this end, we introduce a multi-purpose framework to the representation learning community, which allows to: (i) compare different spaces in an interpretable way and measure their intrinsic similarity; (ii) find correspondences between them, both in unsupervised and weakly supervised settings, and (iii) to effectively transfer representations between distinct spaces. We validate our framework on various applications, ranging from stitching to retrieval tasks, and on multiple modalities, demonstrating that Latent Functional Maps can serve as a swiss-army knife for representation alignment.

We consider the setting of repeated fair division between two players, denoted Alice and Bob, with private valuations over a cake. In each round, a new cake arrives, which is identical to the ones in previous rounds. Alice cuts the cake at a point of her choice, while Bob chooses the left piece or the right piece, leaving the remainder for Alice. We consider two versions: sequential, where Bob observes Alice's cut point before choosing left/right, and simultaneous, where he only observes her cut point after making his choice. The simultaneous version was first considered by Aumann and Maschler. We observe that if Bob is almost myopic and chooses his favorite piece too often, then he can be systematically exploited by Alice through a strategy akin to a binary search. This strategy allows Alice to approximate Bob's preferences with increasing precision, thereby securing a disproportionate share of the resource over time. We analyze the limits of how much a player can exploit the other one and show that fair utility profiles are in fact achievable. Specifically, the players can enforce the equitable utility profile of $(1/2, 1/2)$ in the limit on every trajectory of play, by keeping the other player's utility to approximately $1/2$ on average while guaranteeing they themselves get at least approximately $1/2$ on average. We show this theorem using a connection with Blackwell approachability. Finally, we analyze a natural dynamic known as fictitious play, where players best respond to the empirical distribution of the other player. We show that fictitious play converges to the equitable utility profile of $(1/2, 1/2)$ at a rate of $O(1/\sqrt{T})$.

Predicting potential outcomes of interventions from observational data is crucial for decision-making in medicine, but the task is challenging due to the fundamental problem of causal inference. Existing methods are largely limited to point estimates of potential outcomes with no uncertain quantification; thus, the full information about the distributions of potential outcomes is typically ignored. In this paper, we propose a novel causal diffusion model called DiffPO, which is carefully designed for reliable inferences in medicine by learning the distribution of potential outcomes. In our DiffPO, we leverage a tailored conditional denoising diffusion model to learn complex distributions, where we address the selection bias through a novel orthogonal diffusion loss. Another strength of our DiffPO method is that it is highly flexible (e.g., it can also be used to estimate different causal quantities such as CATE). Across a wide range of experiments, we show that our method achieves state-of-the-art performance.

When artificial agents are jointly trained to perform collaborative tasks using a communication channel, they develop opaque goal-oriented communication protocols. Good task performance is often considered sufficient evidence that meaningful communication is taking place, but existing empirical results show that communication strategies induced by common objectives can be counterintuitive whilst solving the task nearly perfectly. In this work, we identify a goal-agnostic prerequisite to meaningful communication, which we term semantic consistency, based on the idea that messages should have similar meanings across instances. We provide a formal definition for this idea, and use it to compare the two most common objectives in the field of emergent communication: discrimination and reconstruction. We prove, under mild assumptions, that semantically inconsistent communication protocols can be optimal solutions to the discrimination task, but not to reconstruction. We further show that the reconstruction objective encourages a stricter property, spatial meaningfulness, which also accounts for the distance between messages. Experiments with emergent communication games validate our theoretical results. These findings demonstrate an inherent advantage of distance-based communication goals, and contextualize previous empirical discoveries.

Deep Reinforcement Learning (DRL) algorithms have achieved great success in solving many challenging tasks while their black-box nature hinders interpretability and real-world applicability, making it difficult for human experts to interpret and understand DRL policies. Existing works on interpretable reinforcement learning have shown promise in extracting decision tree (DT) based policies from DRL policies with most focus on the single-agent settings while prior attempts to introduce DT policies in multi-agent scenarios mainly focus on heuristic designs which do not provide any quantitative guarantees on the expected return. In this paper, we establish an upper bound on the return gap between the oracle expert policy and an optimal decision tree policy. This enables us to recast the DT extraction problem into a novel non-euclidean clustering problem over the local observation and action values space of each agent, with action values as cluster labels and the upper bound on the return gap as clustering loss. Both the algorithm and the upper bound are extended to multi-agent decentralized DT extractions by an iteratively-grow-DT procedure guided by an action-value function conditioned on the current DTs of other agents. Further, we propose the Return-Gap-Minimization Decision Tree (RGMDT) algorithm, which is a surprisingly simple design and is integrated with reinforcement learning through the utilization of a novel Regularized Information Maximization loss. Evaluations on tasks like D4RL show that RGMDT significantly outperforms heuristic DT-based baselines and can achieve nearly optimal returns under given DT complexity constraints (e.g., maximum number of DT nodes).

Motion forecasting is an essential task for autonomous driving, and utilizing information from infrastructure and other vehicles can enhance forecasting capabilities. Existing research mainly focuses on leveraging single-frame cooperative information to enhance the limited perception capability of the ego vehicle, while underutilizing the motion and interaction context of traffic participants observed from cooperative devices. In this paper, we propose a forecasting-oriented representation paradigm to utilize motion and interaction features from cooperative information. Specifically, we present V2X-Graph, a representative framework to achieve interpretable and end-to-end trajectory feature fusion for cooperative motion forecasting. V2X-Graph is evaluated on V2X-Seq in vehicle-to-infrastructure (V2I) scenarios. To further evaluate on vehicle-to-everything (V2X) scenario, we construct the first real-world V2X motion forecasting dataset V2X-Traj, which contains multiple autonomous vehicles and infrastructure in every scenario. Experimental results on both V2X-Seq and V2X-Traj show the advantage of our method. We hope both V2X-Graph and V2X-Traj will benefit the further development of cooperative motion forecasting. Find the project at https://github.com/AIR-THU/V2X-Graph.

In this paper, we introduce the \textbf{USCILab3D dataset}, a large-scale, annotated outdoor dataset designed for versatile applications across multiple domains, including computer vision, robotics, and machine learning. The dataset was acquired using a mobile robot equipped with 5 cameras and a 32-beam, $360^{\circ}$ scanning LIDAR. The robot was teleoperated, over the course of a year and under a variety of weather and lighting conditions, through a rich variety of paths within the USC campus (229 acres = $\sim 92.7$ hectares). The raw data was annotated using state-of-the-art large foundation models, and processed to provide multi-view imagery, 3D reconstructions, semantically-annotated images and point clouds (267 semantic categories), and text descriptions of images and objects within. The dataset also offers a diverse array of complex analyses using pose-stamping and trajectory data. In sum, the dataset offers 1.4M point clouds and 10M images ($\sim 6$TB of data). Despite covering a narrower geographical scope compared to a whole-city dataset, our dataset prioritizes intricate intersections along with denser multi-view scene images and semantic point clouds, enabling more precise 3D labelling and facilitating a broader spectrum of 3D vision tasks. For data, code and more details, please visit our website.

Language models (LMs) only pretrained on a general and massive corpus usually cannot attain satisfying performance on domain-specific downstream tasks, and hence, applying domain-specific pretraining to LMs is a common and indispensable practice. However, domain-specific pretraining can be costly and time-consuming, hindering LMs' deployment in real-world applications. In this work, we consider the incapability to memorize domain-specific knowledge embedded in the general corpus with rare occurrences and long-tail distributions as the leading cause for pretrained LMs' inferior downstream performance. Analysis of Neural Tangent Kernels (NTKs) reveals that those long-tail data are commonly overlooked in the model's gradient updates and, consequently, are not effectively memorized, leading to poor domain-specific downstream performance. Based on the intuition that data with similar semantic meaning are closer in the embedding space, we devise a Cluster-guided Sparse Expert (CSE) layer to actively learn long-tail domain knowledge typically neglected in previous pretrained LMs. During pretraining, a CSE layer efficiently clusters domain knowledge together and assigns long-tail knowledge to designate extra experts. CSE is also a lightweight structure that only needs to be incorporated in several deep layers. With our training strategy, we found that during pretraining, data of long-tail knowledge gradually formulate isolated, outlier clusters in an LM's representation spaces, especially in deeper layers. Our experimental results show that only pretraining CSE-based LMs is enough to achieve superior performance than regularly pretrained-finetuned LMs on various downstream tasks, implying the prospects of domain-specific-pretraining-free language models.

It is a well-known fact that correlated equilibria can be computed in polynomial time in a large class of concisely represented games using the celebrated Ellipsoid Against Hope algorithm \citep{Papadimitriou2008:Computing, Jiang2015:Polynomial}. However, the landscape of efficiently computable equilibria in sequential (extensive-form) games remains unknown. The Ellipsoid Against Hope does not apply directly to these games, because they do not have the required ``polynomial type'' property. Despite this barrier, \citet{Huang2008:Computing} altered the algorithm to compute exact extensive-form correlated equilibria. In this paper, we generalize the Ellipsoid Against Hope and develop a simple algorithmic framework for efficiently computing saddle-points in bilinear zero-sum games, even when one of the dimensions is exponentially large. Moreover, the framework only requires a ``good-enough-response'' oracle, which is a weakened notion of a best-response oracle. Using this machinery, we develop a general algorithmic framework for computing exact linear $\Phi$-equilibria in any polyhedral game (under mild assumptions), including correlated equilibria in normal-form games, and extensive-form correlated equilibria in extensive-form games. This enables us to give the first polynomial-time algorithm for computing exact linear-deviation correlated equilibria in extensive-form games, thus resolving an open question by \citet{Farina2023:Polynomial}. Furthermore, even for the cases for which a polynomial time algorithm for exact equilibria was already known, our framework provides a conceptually simpler solution.