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Molecular Property Prediction (MPP) task involves predicting biochemical properties based on molecular features, such as molecular graph structures, contributing to the discovery of lead compounds in drug development. To address data…

Machine Learning · Computer Science 2023-12-07 Xu Yao , Shuang Liang , Songqiao Han , Hailiang Huang

A common issue in Graph Neural Networks (GNNs) is known as over-smoothing. By increasing the number of iterations within the message-passing of GNNs, the nodes' representations of the input graph align with each other and become…

Machine Learning · Computer Science 2021-10-22 Christian M. M. Frey , Yunpu Ma , Matthias Schubert

Sparse Mixture of Experts (MoE) architectures have emerged as a promising approach for scaling Transformer models. While initial works primarily incorporated MoE into feed-forward network (FFN) layers, recent studies have explored extending…

Machine Learning · Computer Science 2025-10-24 Yuanhang Yang , Chaozheng Wang , Jing Li

The Sparsely-Activated Mixture-of-Experts (MoE) has gained increasing popularity for scaling up large language models (LLMs) without exploding computational costs. Despite its success, the current design faces a challenge where all experts…

Machine Learning · Computer Science 2024-09-20 Manxi Sun , Wei Liu , Jian Luan , Pengzhi Gao , Bin Wang

In recent studies, neural message passing has proved to be an effective way to design graph neural networks (GNNs), which have achieved state-of-the-art performance in many graph-based tasks. However, current neural-message passing…

Machine Learning · Computer Science 2021-04-21 Wentao Zhang , Yu Shen , Zheyu Lin , Yang Li , Xiaosen Li , Wen Ouyang , Yangyu Tao , Zhi Yang , Bin Cui

Graph Neural Networks (GNNs) have received a lot of interest in the recent times. From the early spectral architectures that could only operate on undirected graphs per a transductive learning paradigm to the current state of the art…

Machine Learning · Computer Science 2021-05-18 Pushkar Mishra , Aleksandra Piktus , Gerard Goossen , Fabrizio Silvestri

The Mixture of Experts (MoE) architecture has emerged as a key technique for scaling Large Language Models by activating only a subset of experts per query. Deploying MoE on consumer-grade edge hardware, however, is constrained by limited…

Artificial Intelligence · Computer Science 2026-05-05 Guoying Zhu , Meng Li , Haipeng Dai , Xuechen Liu , Weijun Wang , Keran Li , Jun xiao , Ligeng Chen , Wei Wang

Federated learning (FL) is a collaborative machine learning approach that enables multiple clients to train models without sharing their private data. With the rise of deep learning, large-scale models have garnered significant attention…

Machine Learning · Computer Science 2025-09-09 Ziwei Zhan , Wenkuan Zhao , Yuanqing Li , Weijie Liu , Xiaoxi Zhang , Chee Wei Tan , Chuan Wu , Deke Guo , Xu Chen

Mixture-of-Experts (MoE) models scale capacity via sparse activation but stress memory and bandwidth. Offloading alleviates GPU memory by fetching experts on demand, yet token-level routing causes irregular transfers that make inference…

Machine Learning · Computer Science 2025-12-22 Zhenyu Liu , Yunzhen Liu , Zehao Fan , Garrett Gagnon , Yayue Hou , Nan Wu , Yangwook Kang , Liu Liu

Various classes of Graph Neural Networks (GNN) have been proposed and shown to be successful in a wide range of applications with graph structured data. In this paper, we propose a theoretical framework able to compare the expressive power…

Machine Learning · Computer Science 2021-06-08 Waïss Azizian , Marc Lelarge

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

Graph Neural Network (GNN) has been demonstrated its effectiveness in dealing with non-Euclidean structural data. Both spatial-based and spectral-based GNNs are relying on adjacency matrix to guide message passing among neighbors during…

Machine Learning · Computer Science 2021-06-09 Yang Hu , Haoxuan You , Zhecan Wang , Zhicheng Wang , Erjin Zhou , Yue Gao

Graph Neural Networks (GNNs) are widely used in graph data mining tasks. Traditional GNNs follow a message passing scheme that can effectively utilize local and structural information. However, the phenomena of over-smoothing and…

Machine Learning · Computer Science 2025-04-14 Zijie Zhou , Zhaoqi Lu , Xuekai Wei , Rongqin Chen , Shenghui Zhang , Pak Lon Ip , Leong Hou U

The Mixture-of-Experts (MoE) paradigm has emerged as a promising solution to scale up model capacity while maintaining inference efficiency. However, deploying MoE models across heterogeneous end-cloud environments poses new challenges in…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-08-11 Zheming Yang , Yunqing Hu , Sheng Sun , Wen Ji

Mixture-of-Experts (MoE) is a flexible framework that combines multiple specialized submodels (``experts''), by assigning covariate-dependent weights (``gating functions'') to each expert, and have been commonly used for analyzing…

Methodology · Statistics 2026-01-06 Qicheng Zhao , Celia M. T. Greenwood , Qihuang Zhang

Graph Neural Networks (GNN) have emerged as a popular and standard approach for learning from graph-structured data. The literature on GNN highlights the potential of this evolving research area and its widespread adoption in real-life…

Machine Learning · Computer Science 2024-03-25 Sukhdeep Singh , Anuj Sharma , Vinod Kumar Chauhan

Real-world graphs have inherently complex and diverse topological patterns, known as topological heterogeneity. Most existing works learn graph representation in a single constant curvature space that is insufficient to match the complex…

Machine Learning · Computer Science 2024-12-17 Zihao Guo , Qingyun Sun , Haonan Yuan , Xingcheng Fu , Min Zhou , Yisen Gao , Jianxin Li

Parameter-efficient fine-tuning has demonstrated promising results across various visual adaptation tasks, such as classification and segmentation. Typically, prompt tuning techniques have harnessed knowledge from a single pre-trained…

Computer Vision and Pattern Recognition · Computer Science 2026-02-27 Shentong Mo , Xufang Luo , Dongsheng Li

We present a new supervised architecture termed Mediated Mixture-of-Experts (MMoE) that allows us to improve classification accuracy of Deep Convolutional Networks (DCN). Our architecture achieves this with the help of expert networks: A…

Machine Learning · Computer Science 2015-11-20 Sebastian Agethen , Winston H. Hsu

The Large Hadron Collider at CERN produces immense volumes of complex data from high-energy particle collisions, demanding sophisticated analytical techniques for effective interpretation. Neural Networks, including Graph Neural Networks,…

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