建模多代理系统需要了解代理的相互作用。这样的系统通常很难建模，因为它们可以涉及各种类型的相互作用，以促进丰富的社会行为动态。在这里，我们介绍了一种用于准确建模多代理系统的方法。我们介绍了使用多重注意（IMMA）的相互作用建模，这是一种前向预测模型，该模型使用多重潜在图代表多种独立类型的相互作用，并注意对不同优势的关系。我们还介绍了渐进层培训，这是该体系结构的培训策略。我们表明，我们的方法在轨迹预测和关系推理中的最先进模型优于最先进的模型，涵盖了三个多代理方案：社交导航，合作任务成就和团队运动。我们进一步证明，我们的方法可以改善零拍的概括，并使我们能够探究不同的相互作用如何影响代理行为。

尽管当前的视觉算法在许多具有挑战性的任务上都表现出色，但尚不清楚他们如何理解现实世界环境的物理动态。在这里，我们介绍了Physion，一种数据集和基准，用于严格评估预测物理场景如何随着时间而发展的能力。我们的数据集具有对各种物理现象的现实模拟，包括刚性和软体体碰撞，稳定的多对象配置，滚动，滑动和弹丸运动，因此比以前的基准提供了更全面的挑战。我们使用Physion来基准一套模型，其体系结构，学习目标，投入输出结构和培训数据各不相同。同时，我们在同一场景上获得了人类预测行为的精确测量，从而使我们能够直接评估任何模型能够近似人类行为的效果。我们发现，学习以对象为中心的表示的视觉算法通常优于那些没有人的表现，但仍未达到人类绩效。另一方面，绘制具有直接访问物理状态信息的神经网络的表现效果更好，并且做出与人类制作的预测更相似。这些结果表明，提取场景的物理表征是在视力算法中实现人类水平和类似人类的物理理解的主要瓶颈。我们已公开发布了所有数据和代码，以促进使用物理以完全可重现的方式对其他模型进行基准测试，从而使对视觉算法的进度进行系统的评估，这些算法像人们一样坚固地了解物理环境。

This paper studies learning the representations of whole graphs in both unsupervised and semi-supervised scenarios. Graph-level representations are critical in a variety of real-world applications such as predicting the properties of molecules and community analysis in social networks. Traditional graph kernel based methods are simple, yet effective for obtaining fixed-length representations for graphs but they suffer from poor generalization due to hand-crafted designs. There are also some recent methods based on language models (e.g. graph2vec) but they tend to only consider certain substructures (e.g. subtrees) as graph representatives. Inspired by recent progress of unsupervised representation learning, in this paper we proposed a novel method called InfoGraph for learning graph-level representations. We maximize the mutual information between the graph-level representation and the representations of substructures of different scales (e.g., nodes, edges, triangles). By doing so, the graph-level representations encode aspects of the data that are shared across different scales of substructures. Furthermore, we further propose InfoGraph*, an extension of InfoGraph for semi-supervised scenarios. InfoGraph* maximizes the mutual information between unsupervised graph representations learned by InfoGraph and the representations learned by existing supervised methods. As a result, the supervised encoder learns from unlabeled data while preserving the latent semantic space favored by the current supervised task. Experimental results on the tasks of graph classification and molecular property prediction show that InfoGraph is superior to state-of-the-art baselines and InfoGraph* can achieve performance competitive with state-of-the-art semi-supervised models.

In this paper, we propose a robust 3D detector, named Cross Modal Transformer (CMT), for end-to-end 3D multi-modal detection. Without explicit view transformation, CMT takes the image and point clouds tokens as inputs and directly outputs accurate 3D bounding boxes. The spatial alignment of multi-modal tokens is performed implicitly, by encoding the 3D points into multi-modal features. The core design of CMT is quite simple while its performance is impressive. CMT obtains 73.0% NDS on nuScenes benchmark. Moreover, CMT has a strong robustness even if the LiDAR is missing. Code will be released at https://github.com/junjie18/CMT.

Given the increasingly intricate forms of partial differential equations (PDEs) in physics and related fields, computationally solving PDEs without analytic solutions inevitably suffers from the trade-off between accuracy and efficiency. Recent advances in neural operators, a kind of mesh-independent neural-network-based PDE solvers, have suggested the dawn of overcoming this challenge. In this emerging direction, Koopman neural operator (KNO) is a representative demonstration and outperforms other state-of-the-art alternatives in terms of accuracy and efficiency. Here we present KoopmanLab, a self-contained and user-friendly PyTorch module of the Koopman neural operator family for solving partial differential equations. Beyond the original version of KNO, we develop multiple new variants of KNO based on different neural network architectures to improve the general applicability of our module. These variants are validated by mesh-independent and long-term prediction experiments implemented on representative PDEs (e.g., the Navier-Stokes equation and the Bateman-Burgers equation) and ERA5 (i.e., one of the largest high-resolution data sets of global-scale climate fields). These demonstrations suggest the potential of KoopmanLab to be considered in diverse applications of partial differential equations.

Rankings are widely collected in various real-life scenarios, leading to the leakage of personal information such as users' preferences on videos or news. To protect rankings, existing works mainly develop privacy protection on a single ranking within a set of ranking or pairwise comparisons of a ranking under the $\epsilon$-differential privacy. This paper proposes a novel notion called $\epsilon$-ranking differential privacy for protecting ranks. We establish the connection between the Mallows model (Mallows, 1957) and the proposed $\epsilon$-ranking differential privacy. This allows us to develop a multistage ranking algorithm to generate synthetic rankings while satisfying the developed $\epsilon$-ranking differential privacy. Theoretical results regarding the utility of synthetic rankings in the downstream tasks, including the inference attack and the personalized ranking tasks, are established. For the inference attack, we quantify how $\epsilon$ affects the estimation of the true ranking based on synthetic rankings. For the personalized ranking task, we consider varying privacy preferences among users and quantify how their privacy preferences affect the consistency in estimating the optimal ranking function. Extensive numerical experiments are carried out to verify the theoretical results and demonstrate the effectiveness of the proposed synthetic ranking algorithm.

Due to their ability to offer more comprehensive information than data from a single view, multi-view (multi-source, multi-modal, multi-perspective, etc.) data are being used more frequently in remote sensing tasks. However, as the number of views grows, the issue of data quality becomes more apparent, limiting the potential benefits of multi-view data. Although recent deep neural network (DNN) based models can learn the weight of data adaptively, a lack of research on explicitly quantifying the data quality of each view when fusing them renders these models inexplicable, performing unsatisfactorily and inflexible in downstream remote sensing tasks. To fill this gap, in this paper, evidential deep learning is introduced to the task of aerial-ground dual-view remote sensing scene classification to model the credibility of each view. Specifically, the theory of evidence is used to calculate an uncertainty value which describes the decision-making risk of each view. Based on this uncertainty, a novel decision-level fusion strategy is proposed to ensure that the view with lower risk obtains more weight, making the classification more credible. On two well-known, publicly available datasets of aerial-ground dual-view remote sensing images, the proposed approach achieves state-of-the-art results, demonstrating its effectiveness. The code and datasets of this article are available at the following address: https://github.com/gaopiaoliang/Evidential.

A noisy training set usually leads to the degradation of the generalization and robustness of neural networks. In this paper, we propose a novel theoretically guaranteed clean sample selection framework for learning with noisy labels. Specifically, we first present a Scalable Penalized Regression (SPR) method, to model the linear relation between network features and one-hot labels. In SPR, the clean data are identified by the zero mean-shift parameters solved in the regression model. We theoretically show that SPR can recover clean data under some conditions. Under general scenarios, the conditions may be no longer satisfied; and some noisy data are falsely selected as clean data. To solve this problem, we propose a data-adaptive method for Scalable Penalized Regression with Knockoff filters (Knockoffs-SPR), which is provable to control the False-Selection-Rate (FSR) in the selected clean data. To improve the efficiency, we further present a split algorithm that divides the whole training set into small pieces that can be solved in parallel to make the framework scalable to large datasets. While Knockoffs-SPR can be regarded as a sample selection module for a standard supervised training pipeline, we further combine it with a semi-supervised algorithm to exploit the support of noisy data as unlabeled data. Experimental results on several benchmark datasets and real-world noisy datasets show the effectiveness of our framework and validate the theoretical results of Knockoffs-SPR. Our code and pre-trained models will be released.

Temporal sentence grounding (TSG) aims to identify the temporal boundary of a specific segment from an untrimmed video by a sentence query. All existing works first utilize a sparse sampling strategy to extract a fixed number of video frames and then conduct multi-modal interactions with query sentence for reasoning. However, we argue that these methods have overlooked two indispensable issues: 1) Boundary-bias: The annotated target segment generally refers to two specific frames as corresponding start and end timestamps. The video downsampling process may lose these two frames and take the adjacent irrelevant frames as new boundaries. 2) Reasoning-bias: Such incorrect new boundary frames also lead to the reasoning bias during frame-query interaction, reducing the generalization ability of model. To alleviate above limitations, in this paper, we propose a novel Siamese Sampling and Reasoning Network (SSRN) for TSG, which introduces a siamese sampling mechanism to generate additional contextual frames to enrich and refine the new boundaries. Specifically, a reasoning strategy is developed to learn the inter-relationship among these frames and generate soft labels on boundaries for more accurate frame-query reasoning. Such mechanism is also able to supplement the absent consecutive visual semantics to the sampled sparse frames for fine-grained activity understanding. Extensive experiments demonstrate the effectiveness of SSRN on three challenging datasets.

Learning the underlying distribution of molecular graphs and generating high-fidelity samples is a fundamental research problem in drug discovery and material science. However, accurately modeling distribution and rapidly generating novel molecular graphs remain crucial and challenging goals. To accomplish these goals, we propose a novel Conditional Diffusion model based on discrete Graph Structures (CDGS) for molecular graph generation. Specifically, we construct a forward graph diffusion process on both graph structures and inherent features through stochastic differential equations (SDE) and derive discrete graph structures as the condition for reverse generative processes. We present a specialized hybrid graph noise prediction model that extracts the global context and the local node-edge dependency from intermediate graph states. We further utilize ordinary differential equation (ODE) solvers for efficient graph sampling, based on the semi-linear structure of the probability flow ODE. Experiments on diverse datasets validate the effectiveness of our framework. Particularly, the proposed method still generates high-quality molecular graphs in a limited number of steps.