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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

Graph neural networks (GNNs) have found extensive applications in learning from graph data. However, real-world graphs often possess diverse structures and comprise nodes and edges of varying types. To bolster the generalization capacity of…

Machine Learning · Computer Science 2023-10-18 Haotao Wang , Ziyu Jiang , Yuning You , Yan Han , Gaowen Liu , Jayanth Srinivasa , Ramana Rao Kompella , Zhangyang Wang

Graph Neural Networks (GNNs) face a fundamental adaptability challenge: their fixed message-passing architectures struggle with the immense diversity of real-world graphs, where optimal computational strategies vary by local structure and…

Machine Learning · Computer Science 2025-10-27 Yunlong Chu , Minglai Shao , Zengyi Wo , Bing Hao , Yuhang Liu , Ruijie Wang , Jianxin Li

Graph data are inherently complex and heterogeneous, leading to a high natural diversity of distributional shifts. However, it remains unclear how to build machine learning architectures that generalize to the complex distributional shifts…

Machine Learning · Computer Science 2024-10-29 Shirley Wu , Kaidi Cao , Bruno Ribeiro , James Zou , Jure Leskovec

As machine learning models in critical fields increasingly grapple with multimodal data, they face the dual challenges of handling a wide array of modalities, often incomplete due to missing elements, and the temporal irregularity and…

Machine Learning · Computer Science 2025-04-10 Xing Han , Huy Nguyen , Carl Harris , Nhat Ho , Suchi Saria

Graph neural networks excel at graph representation learning but struggle with heterophilous data and long-range dependencies. And graph transformers address these issues through self-attention, yet face scalability and noise challenges on…

Machine Learning · Computer Science 2025-02-13 Xuanze Chen , Jiajun Zhou , Shanqing Yu , Qi Xuan

Graph neural networks (GNNs) have achieved significant progress in graph-based learning tasks, yet their performance often deteriorates when facing heterophilous structures where connected nodes differ substantially in features and labels.…

Machine Learning · Computer Science 2025-11-13 Xuanze Chen , Jiajun Zhou , Yadong Li , Jinsong Chen , Shanqing Yu , Qi Xuan

Effectively modeling multimodal spatial omics data is critical for understanding tissue complexity and underlying biological mechanisms. While spatial transcriptomics, proteomics, and epigenomics capture molecular features, they lack…

Computer Vision and Pattern Recognition · Computer Science 2025-11-18 Yongjun Xiao , Dian Meng , Xinlei Huang , Yanran Liu , Shiwei Ruan , Ziyue Qiao , Xubin Zheng

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

Face alignment consists of aligning a shape model on a face image. It is an active domain in computer vision as it is a preprocessing for a number of face analysis and synthesis applications. Current state-of-the-art methods already perform…

Computer Vision and Pattern Recognition · Computer Science 2019-10-22 Estephe Arnaud , Arnaud Dapogny , Kevin Bailly

Graph Neural Networks (GNNs) have demonstrated impressive performance on task-specific benchmarks, yet their ability to generalize across diverse domains and tasks remains limited. Existing approaches often struggle with negative transfer,…

Machine Learning · Computer Science 2025-11-06 Zhibin Wang , Zhixing Zhang , Shuqi Wang , Xuanting Xie , Zhao Kang

Many molecular properties depend on 3D geometry, where non-covalent interactions, stereochemical effects, and medium- to long-range forces are determined by spatial distances and angles that cannot be uniquely captured by a 2D bond graph.…

Machine Learning · Computer Science 2026-01-21 Long D. Nguyen , Kelin Xia , Binh P. Nguyen

Graph neural networks (GNNs) are gaining popularity for processing graph-structured data. In real-world scenarios, graph data within the same dataset can vary significantly in scale. This variability leads to depth-sensitivity, where the…

Machine Learning · Computer Science 2024-11-06 Zelin Yao , Chuang Liu , Xianke Meng , Yibing Zhan , Jia Wu , Shirui Pan , Wenbin Hu

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

Grassmannian manifold offers a powerful carrier for geometric representation learning by modelling high-dimensional data as low-dimensional subspaces. However, existing approaches predominantly rely on static single-subspace…

Computer Vision and Pattern Recognition · Computer Science 2026-03-18 Xuan Yu , Tianyang Xu

Amodal segmentation targets to predict complete object masks, covering both visible and occluded regions. This task poses significant challenges due to complex occlusions and extreme shape variation, from rigid furniture to highly…

Computer Vision and Pattern Recognition · Computer Science 2025-08-05 Zhixuan Li , Yujia Liu , Chen Hui , Jeonghaeng Lee , Sanghoon Lee , Weisi Lin

Mixture-of-Experts models rely on learned routers to assign tokens to experts, yet standard softmax gating provides no principled mechanism to control the tradeoff between sparsity and utilization. We propose Grassmannian MoE (GrMoE), a…

Machine Learning · Computer Science 2026-02-23 Ibne Farabi Shihab , Sanjeda Akter , Anuj Sharma

Multivariate time series (MTS) anomaly detection is a critical task that involves identifying abnormal patterns or events in data that consist of multiple interrelated time series. In order to better model the complex interdependence…

Machine Learning · Computer Science 2024-12-31 Xiaoyu Huang , Weidong Chen , Bo Hu , Zhendong Mao

Graph incremental learning is a learning paradigm that aims to adapt trained models to continuously incremented graphs and data over time without the need for retraining on the full dataset. However, regular graph machine learning methods…

Machine Learning · Computer Science 2025-08-14 Lecheng Kong , Theodore Vasiloudis , Seongjun Yun , Han Xie , Xiang Song

The sparse Mixture-of-Experts (MoE) architecture of large language models (LLMs) confronts an inherent issue of load imbalance arising from the simplistic linear router strategy, which ultimately causes the instability and inefficient…

Machine Learning · Computer Science 2025-11-25 Ting Bai , Yue Yu , Le Huang , Zenan Xu , Chuan Shi
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