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Realistic graphs contain both (1) rich self-features of nodes and (2) informative structures of neighborhoods, jointly handled by a Graph Neural Network (GNN) in the typical setup. We propose to decouple the two modalities by Mixture of…

Machine Learning · Computer Science 2024-06-25 Hanqing Zeng , Hanjia Lyu , Diyi Hu , Yinglong Xia , Jiebo Luo

Graph Neural Networks (GNNs) have been widely adopted for Protein Representation Learning (PRL), as residue interaction networks can be naturally represented as graphs. Current GNN-based PRL methods typically rely on single-perspective…

Artificial Intelligence · Computer Science 2026-01-16 Yusong Wang , Jialun Shen , Zhihao Wu , Yicheng Xu , Shiyin Tan , Mingkun Xu , Changshuo Wang , Zixing Song , Prayag Tiwari

Learning-based autonomous driving requires continuous integration of diverse knowledge in complex traffic , yet existing methods exhibit significant limitations in adaptive capabilities. Addressing this gap demands autonomous driving…

Robotics · Computer Science 2025-02-18 Yixin Cui , Shuo Yang , Chi Wan , Xincheng Li , Jiaming Xing , Yuanjian Zhang , Yanjun Huang , Hong Chen

Mixture-of-Experts (MoE) models facilitate edge deployment by decoupling model capacity from active computation, yet their large memory footprint drives the need for GPU systems with near-data processing (NDP) capabilities that offload…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-08 Qi Wu , Chao Fang , Jiayuan Chen , Ye Lin , Yueqi Zhang , Yichuan Bai , Yuan Du , Li Du

Heterophilous graphs, where dissimilar nodes tend to connect, pose a challenge for graph neural networks (GNNs). Increasing the GNN depth can expand the scope (i.e., receptive field), potentially finding homophily from the higher-order…

Machine Learning · Computer Science 2025-11-13 Gangda Deng , Hongkuan Zhou , Rajgopal Kannan , Viktor Prasanna

Mixture-of-Experts (MoE) offers flexible graph reasoning by combining multiple views of a graph through a learned router. We investigate routing-aware explanations for MoE graph models in malware detection using control flow graphs (CFGs).…

Cryptography and Security · Computer Science 2026-02-24 Hossein Shokouhinejad , Roozbeh Razavi-Far , Griffin Higgins , Ali. A Ghorbani

The Mixture of Experts (MoE) selects a few feed-forward networks (FFNs) per token, achieving an effective trade-off between computational cost and performance. In conventional MoE, each expert is treated as entirely independent, and experts…

Machine Learning · Computer Science 2026-01-27 Shota Takashiro , Takeshi Kojima , Shohei Taniguchi , Yusuke Iwasawa , Yutaka Matsuo

Link Prediction (LP) is a critical task in graph machine learning. While Graph Neural Networks (GNNs) have significantly advanced LP performance recently, existing methods face key challenges including limited supervision from sparse…

Machine Learning · Computer Science 2025-08-07 Yu Song , Zhigang Hua , Harry Shomer , Yan Xie , Jingzhe Liu , Bo Long , Hui Liu

Vertical Federated Learning (VFL) has emerged as a critical paradigm for collaborative model training in privacy-sensitive domains such as finance and healthcare. However, most existing VFL frameworks rely on the idealized assumption of…

Machine Learning · Computer Science 2026-04-22 Jon Irureta , Gorka Azkune , Jon Imaz , Aizea Lojo , Javier Fernandez-Marques

Graph Neural Networks (GNNs) have demonstrated impressive performance across diverse graph-based tasks by leveraging message passing to capture complex node relationships. However, on large-scale real-world graphs, GNNs face two major…

Machine Learning · Computer Science 2026-03-10 Xiang Li , Jianpeng Qi , Haobing Liu , Yuan Cao , Guoqing Chao , Zhongying Zhao , Junyu Dong , Xinwang Liu , Yanwei Yu

Graph neural networks (GNNs) are widely applied in graph data modeling. However, existing GNNs are often trained in a task-driven manner that fails to fully capture the intrinsic nature of the graph structure, resulting in sub-optimal node…

Machine Learning · Computer Science 2024-07-17 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

The pre-train then fine-tune approach has advanced GNNs by enabling general knowledge capture without task-specific labels. However, an objective gap between pre-training and downstream tasks limits its effectiveness. Recent graph prompting…

Machine Learning · Computer Science 2025-01-28 Qin Chen , Liang Wang , Bo Zheng , Guojie Song

Graph Neural Networks (GNNs) have recently gained attention due to their performance on non-Euclidean data. The use of custom hardware architectures proves particularly beneficial for GNNs due to their irregular memory access patterns,…

Hardware Architecture · Computer Science 2025-03-03 Pedro Gimenes , Yiren Zhao , George Constantinides

Mesh-based Graph Neural Networks (GNNs) have recently shown capabilities to simulate complex multiphysics problems with accelerated performance times. However, mesh-based GNNs require a large number of message-passing (MP) steps and suffer…

Computational Engineering, Finance, and Science · Computer Science 2024-02-15 Roberto Perera , Vinamra Agrawal

Mixture-of-Experts (MoE) activates only a subset of experts during inference, allowing the model to maintain low inference FLOPs and latency even as the parameter count scales up. However, since MoE dynamically selects the experts, all the…

Machine Learning · Computer Science 2025-05-27 Shibo Jie , Yehui Tang , Kai Han , Yitong Li , Duyu Tang , Zhi-Hong Deng , Yunhe Wang

The Mixture of Experts (MoE) architecture has become a fundamental building block in state-of-the-art large language models (LLMs), improving domain-specific expertise in LLMs and scaling model capacity without proportionally increasing…

Machine Learning · Computer Science 2026-05-13 Ankit Jyothish , Ali Jannesari , Aishwarya Sarkar , Joseph Zuber

Heterogeneous Graph Neural Networks(HGNNs) have advanced mainly through better encoders, yet their decoding/projection stage still relies on a single shared linear head, assuming it can map rich node embeddings to labels. We call this the…

Machine Learning · Computer Science 2026-01-12 Wei Zhou , Hong Huang , Ruize Shi , Bang Liu

A common practice in heterogeneous graph neural networks (HGNNs) is to condition parameters on node/edge types, assuming types reflect semantic roles. However, this can cause overreliance on surface-level labels and impede cross-type…

Machine Learning · Computer Science 2026-01-23 Georgiy Shakirov , Albert Arakelov

The ability to customize a trained Deep Neural Network (DNN) locally using user-specific data may greatly enhance user experiences, reduce development costs, and protect user's privacy. In this work, we propose to incorporate a novel…

Computer Vision and Pattern Recognition · Computer Science 2018-11-02 Boyu Zhang , Azadeh Davoodi , Yu-Hen Hu

The computational cost associated with high-fidelity CFD simulations remains a significant bottleneck in the automotive design and optimization cycle. While ML-based surrogate models have emerged as a promising alternative to accelerate…

Machine Learning · Computer Science 2025-09-01 Mohammad Amin Nabian , Sanjay Choudhry