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Deep learning models often struggle to maintain performance when deployed on data distributions different from their training data, particularly in real-world applications where environmental conditions frequently change. While Multi-source…

Machine Learning · Computer Science 2025-05-30 Shohei Enomoto

While Graph Neural Networks (GNNs) are popular in the deep learning community, they suffer from several challenges including over-smoothing, over-squashing, and gradient vanishing. Recently, a series of models have attempted to relieve…

Machine Learning · Computer Science 2022-11-18 Junxiang Wang , Hongyi Li , Zheng Chai , Yongchao Wang , Yue Cheng , Liang Zhao

Molecular dynamics is a powerful simulation tool to explore material properties. Most of the realistic material systems are too large to be simulated with first-principles molecular dynamics. Classical molecular dynamics has lower…

Computational Physics · Physics 2021-01-11 Zun Wang , Chong Wang , Sibo Zhao , Shiqiao Du , Yong Xu , Bing-Lin Gu , Wenhui Duan

We present two architectures for multi-task learning with neural sequence models. Our approach allows the relationships between different tasks to be learned dynamically, rather than using an ad-hoc pre-defined structure as in previous…

Computation and Language · Computer Science 2018-11-27 Pengfei Liu , Jie Fu , Yue Dong , Xipeng Qiu , Jackie Chi Kit Cheung

Foundation models like ChatGPT and GPT-4 have revolutionized artificial intelligence, exhibiting remarkable abilities to generalize across a wide array of tasks and applications beyond their initial training objectives. However, graph…

Machine Learning · Computer Science 2025-01-22 Yufei He , Yuan Sui , Xiaoxin He , Bryan Hooi

Large Language Models (LLMs) possess human-level cognitive and decision-making capabilities, making them a key technology for 6G. However, applying LLMs to the communication domain faces three major challenges: 1) Inadequate communication…

Information Theory · Computer Science 2025-02-27 Feibo Jiang , Wanyun Zhu , Li Dong , Kezhi Wang , Kun Yang , Cunhua Pan , Octavia A. Dobre

There has been a growing interest in developing diffusion-based Graph Neural Networks (GNNs), building on the connections between message passing mechanisms in GNNs and physical diffusion processes. However, existing methods suffer from…

Machine Learning · Computer Science 2025-08-18 Asela Hevapathige , Asiri Wijesinghe , Ahad N. Zehmakan

Graph Neural Networks (GNNs) have achieved significant success in addressing node classification tasks. However, the effectiveness of traditional GNNs degrades on heterophilic graphs, where connected nodes often belong to different labels…

Machine Learning · Computer Science 2025-11-11 Asela Hevapathige , Asiri Wijesinghe , Ahad N. Zehmakan

The aggressive densification of modern wireless networks necessitates judicious resource allocation to mitigate severe mutual interference. However, classical iterative algorithms remain computationally prohibitive for real-time…

Machine Learning · Computer Science 2026-04-10 Yucheng Sheng , Jiacheng Wang , Le Liang , Hao Ye , Shi Jin

While foundation models have revolutionized such fields as natural language processing and computer vision, their potential in graph machine learning remains largely unexplored. One of the key challenges in designing graph foundation models…

Machine Learning · Computer Science 2025-09-24 Dmitry Eremeev , Gleb Bazhenov , Oleg Platonov , Artem Babenko , Liudmila Prokhorenkova

Graph-based anomaly detection is pivotal in diverse security applications, such as fraud detection in transaction networks and intrusion detection for network traffic. Standard approaches, including Graph Neural Networks (GNNs), often…

Cryptography and Security · Computer Science 2024-10-14 Andy Zhou , Xiaojun Xu , Ramesh Raghunathan , Alok Lal , Xinze Guan , Bin Yu , Bo Li

Inspired by the success of large language models, there is a trend toward developing graph foundation models to conduct diverse downstream tasks in various domains. However, current models often require extra fine-tuning to apply their…

Machine Learning · Computer Science 2025-05-16 Kai Wang , Siqiang Luo , Caihua Shan , Yifei Shen

The ubiquity of accelerators in high-performance computing has driven programming complexity beyond the skill-set of the average domain scientist. To maintain performance portability in the future, it is imperative to decouple…

Programming Languages · Computer Science 2020-01-06 Tal Ben-Nun , Johannes de Fine Licht , Alexandros Nikolaos Ziogas , Timo Schneider , Torsten Hoefler

Unsupervised Graph Domain Adaptation (UGDA) seeks to bridge distribution shifts between domains by transferring knowledge from labeled source graphs to given unlabeled target graphs. Existing UGDA methods primarily focus on aligning…

Machine Learning · Computer Science 2025-01-17 Wei Chen , Guo Ye , Yakun Wang , Zhao Zhang , Libang Zhang , Daixin Wang , Zhiqiang Zhang , Fuzhen Zhuang

Large-scale "pre-train and prompt learning" paradigms have demonstrated remarkable adaptability, enabling broad applications across diverse domains such as question answering, image recognition, and multimodal retrieval. This approach fully…

Vision foundation models (FMs) have become the predominant architecture in computer vision, providing highly transferable representations learned from large-scale, multimodal corpora. Nonetheless, they exhibit persistent limitations on…

Computer Vision and Pattern Recognition · Computer Science 2025-08-27 Fatemeh Ziaeetabar

Retrieval-augmented generation (RAG) has proven effective in integrating knowledge into large language models (LLMs). However, conventional RAGs struggle to capture complex relationships between pieces of knowledge, limiting their…

Information Retrieval · Computer Science 2025-12-12 Linhao Luo , Zicheng Zhao , Gholamreza Haffari , Dinh Phung , Chen Gong , Shirui Pan

We propose a novel graph-driven generative model, that unifies multiple heterogeneous learning tasks into the same framework. The proposed model is based on the fact that heterogeneous learning tasks, which correspond to different…

Machine Learning · Computer Science 2019-11-21 Wenlin Wang , Hongteng Xu , Zhe Gan , Bai Li , Guoyin Wang , Liqun Chen , Qian Yang , Wenqi Wang , Lawrence Carin

Graph Neural Networks (GNNs) have emerged as powerful tools for learning over graph-structured data, yet recent studies have shown that their performance gains are beginning to plateau. In many cases, well-established models such as GCN and…

Machine Learning · Computer Science 2026-02-13 Mohit Meena , Yash Punjabi , Abhishek A , Vishal Sharma , Mahesh Chandran

Graph Retrieval-Augmented Generation (GRAG or Graph RAG) architectures aim to enhance language understanding and generation by leveraging external knowledge. However, effectively capturing and integrating the rich semantic information…

Computation and Language · Computer Science 2025-01-29 Karishma Thakrar