Wentao Yu

Wentao Yu, Shuo Chen, Chen Gong et al.

Recently, Graph Transformer (GT) models have been widely used in the task of Molecular Property Prediction (MPP) due to their high reliability in characterizing the latent relationship among graph nodes (i.e., the atoms in a molecule). However, most existing GT-based methods usually explore the basic interactions between pairwise atoms, and thus they fail to consider the important interactions among critical motifs (e.g., functional groups consisted of several atoms) of molecules. As motifs in a molecule are significant patterns that are of great importance for determining molecular properties (e.g., toxicity and solubility), overlooking motif interactions inevitably hinders the effectiveness of MPP. To address this issue, we propose a novel Atom-Motif Contrastive Transformer (AMCT), which not only explores the atom-level interactions but also considers the motif-level interactions. Since the representations of atoms and motifs for a given molecule are actually two different views of the same instance, they are naturally aligned to generate the self-supervisory signals for model training. Meanwhile, the same motif can exist in different molecules, and hence we also employ the contrastive loss to maximize the representation agreement of identical motifs across different molecules. Finally, in order to clearly identify the motifs that are critical in deciding the properties of each molecule, we further construct a property-aware attention mechanism into our learning framework. Our proposed AMCT is extensively evaluated on seven popular benchmark datasets, and both quantitative and qualitative results firmly demonstrate its effectiveness when compared with the state-of-the-art methods.

Wentao Yu, Shuo Chen, Yongxin Tong et al.

Heterogeneity is a fundamental and challenging issue in federated learning, especially for the graph data due to the complex relationships among the graph nodes. To deal with the heterogeneity, lots of existing methods perform the weighted federation based on their calculated similarities between pairwise clients (i.e., subgraphs). However, their inter-subgraph similarities estimated with the outputs of local models are less reliable, because the final outputs of local models may not comprehensively represent the real distribution of subgraph data. In addition, they ignore the critical intra-heterogeneity which usually exists within each subgraph itself. To address these issues, we propose a novel Federated learning method by integrally modeling the Inter-Intra Heterogeneity (FedIIH). For the inter-subgraph relationship, we propose a novel hierarchical variational model to infer the whole distribution of subgraph data in a multi-level form, so that we can accurately characterize the inter-subgraph similarities with the global perspective. For the intra-heterogeneity, we disentangle the subgraph into multiple latent factors and partition the model parameters into multiple parts, where each part corresponds to a single latent factor. Our FedIIH not only properly computes the distribution similarities between subgraphs, but also learns disentangled representations that are robust to irrelevant factors within subgraphs, so that it successfully considers the inter- and intra- heterogeneity simultaneously. Extensive experiments on six homophilic and five heterophilic graph datasets in both non-overlapping and overlapping settings demonstrate the effectiveness of our method when compared with nine state-of-the-art methods. Specifically, FedIIH averagely outperforms the second-best method by a large margin of 5.79% on all heterophilic datasets.

Wentao Yu

Since heterogeneity presents a fundamental challenge in graph federated learning, many existing methods are proposed to deal with node feature heterogeneity and structure heterogeneity. However, they overlook the critical homophily heterogeneity, which refers to the substantial variation in homophily levels across graph data from different clients. The homophily level represents the proportion of edges connecting nodes that belong to the same class. Due to adapting to their local homophily, local models capture inconsistent spectral properties across different clients, significantly reducing the effectiveness of collaboration. Specifically, local models trained on graphs with high homophily tend to capture low-frequency information, whereas local models trained on graphs with low homophily tend to capture high-frequency information. To effectively deal with homophily heterophily, we introduce the spectral Graph Neural Network (GNN) and propose a novel Federated learning method by mining Graph Spectral Properties (FedGSP). On one hand, our proposed FedGSP enables clients to share generic spectral properties (i.e., low-frequency information), allowing all clients to benefit through collaboration. On the other hand, inspired by our theoretical findings, our proposed FedGSP allows clients to complement non-generic spectral properties by acquiring the spectral properties they lack (i.e., high-frequency information), thereby obtaining additional information gain. Extensive experiments conducted on six homophilic and five heterophilic graph datasets, across both non-overlapping and overlapping settings, validate the superiority of our method over eleven state-of-the-art methods. Notably, our FedGSP outperforms the second-best method by an average margin of 3.28% on all heterophilic datasets.

Yuhang He, Wentao Yu, Jie Han et al.

In this paper, we focus on the multi-object tracking (MOT) problem of automatic driving and robot navigation. Most existing MOT methods track multiple objects using a singular RGB camera, which are prone to camera field-of-view and suffer tracking failures in complex scenarios due to background clutters and poor light conditions. To meet these challenges, we propose a MultiModality PAnoramic multi-object Tracking framework (MMPAT), which takes both 2D panorama images and 3D point clouds as input and then infers target trajectories using the multimodality data. The proposed method contains four major modules, a panorama image detection module, a multimodality data fusion module, a data association module and a trajectory inference model. We evaluate the proposed method on the JRDB dataset, where the MMPAT achieves the top performance in both the detection and tracking tasks and significantly outperforms state-of-the-art methods by a large margin (15.7 and 8.5 improvement in terms of AP and MOTA, respectively).