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The identification and property prediction of chemical molecules is of central importance in the advancement of drug discovery and material science, where the tandem mass spectrometry technology gives valuable fragmentation cues in the form…

Artificial Intelligence · Computer Science 2026-04-14 Yunhua Zhong , Yixuan Tang , Yifan Li , Jie Yang , Pan Liu , Jun Xia

Generative models have demonstrated remarkable potential in time series analysis tasks, like synthesis, forecasting, imputation, etc. However, offering limited coverage for generative models, existing time series libraries are mainly…

Machine Learning · Computer Science 2026-05-20 Chenxi Wang , Xiaorong Wang , Peiyang Li , Yi Wang

Recently, Graph Neural Networks (GNNs) have been receiving a spotlight as a powerful tool that can effectively serve various inference tasks on graph structured data. As the size of real-world graphs continues to scale, the GNN training…

Machine Learning · Computer Science 2022-08-22 Yeonhong Park , Sunhong Min , Jae W. Lee

Accurate and efficient power flow (PF) analysis is crucial in modern electrical networks' operation and planning. Therefore, there is a need for scalable algorithms that can provide accurate and fast solutions for both small and large scale…

Machine Learning · Computer Science 2024-02-14 Nan Lin , Stavros Orfanoudakis , Nathan Ordonez Cardenas , Juan S. Giraldo , Pedro P. Vergara

Federated learning client selection is crucial for determining participant clients while balancing model accuracy and communication efficiency. Existing methods have limitations in handling data heterogeneity, computational burdens, and…

Machine Learning · Computer Science 2024-05-28 Shijie Na , Yuzhi Liang , Siu-Ming Yiu

Developing a single foundation model with the capability to excel across diverse tasks has been a long-standing objective in the field of artificial intelligence. As the wave of general-purpose foundation models sweeps across various…

Information Retrieval · Computer Science 2025-07-02 Zheli Zhou , Chenxu Zhu , Jianghao Lin , Bo Chen , Ruiming Tang , Weinan Zhang , Yong Yu

Graph Neural Networks (GNNs) are vital for learning from graph-structured data, enabling applications in network analysis, recommendation systems, and speech analytics. Deploying them on edge devices like client PCs and laptops enhances…

Machine Learning · Computer Science 2025-02-14 Arghadip Das , Shamik Kundu , Arnab Raha , Soumendu Ghosh , Deepak Mathaikutty , Vijay Raghunathan

As much as Graph Convolutional Networks (GCNs) have shown tremendous success in recommender systems and collaborative filtering (CF), the mechanism of how they, especially the core components (\textit{i.e.,} neighborhood aggregation)…

Information Retrieval · Computer Science 2022-04-26 Shaowen Peng , Kazunari Sugiyama , Tsunenori Mine

Several distributed frameworks have been developed to scale Graph Neural Networks (GNNs) on billion-size graphs. On several benchmarks, we observe that the graph partitions generated by these frameworks have heterogeneous data distributions…

Machine Learning · Computer Science 2023-11-07 Dhruv Deshmukh , Gagan Raj Gupta , Manisha Chawla , Vishwesh Jatala , Anirban Haldar

Genetic Programming (GP) is known to suffer from the burden of being computationally expensive by design. While, over the years, many techniques have been developed to mitigate this issue, data vectorization, in particular, is arguably…

Neural and Evolutionary Computing · Computer Science 2021-06-23 Francisco Baeta , João Correia , Tiago Martins , Penousal Machado

Hypergraph, an expressive structure with flexibility to model the higher-order correlations among entities, has recently attracted increasing attention from various research domains. Despite the success of Graph Neural Networks (GNNs) for…

Machine Learning · Computer Science 2021-05-04 Jing Huang , Jie Yang

Recommender systems based on graph neural networks perform well in tasks such as rating and ranking. However, in real-world recommendation scenarios, noise such as user misuse and malicious advertisement gradually accumulates through the…

Information Retrieval · Computer Science 2025-05-23 Meng Yan , Cai Xu , Xujing Wang , Ziyu Guan , Wei Zhao , Yuhang Zhou

Searching for geometric objects that are close in space is a fundamental component of many applications. The performance of search algorithms comes to the forefront as the size of a problem increases both in terms of total object count as…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-06-30 D. Lebrun-Grandié , A. Prokopenko , B. Turcksin , S. R. Slattery

Since Knowledge Graphs are often incomplete, link prediction methods are adopted for predicting missing facts. Scalable embedding based solutions are mostly adopted for this purpose, however, they lack comprehensibility, which may be…

Artificial Intelligence · Computer Science 2025-08-13 Roberto Barile , Claudia d'Amato , Nicola Fanizzi

Trusted execution environments (TEE) such as Intel's Software Guard Extension (SGX) have been widely studied to boost security and privacy protection for the computation of sensitive data such as human genomics. However, a performance…

Cryptography and Security · Computer Science 2021-07-28 Chathura Widanage , Weijie Liu , Jiayu Li , Hongbo Chen , XiaoFeng Wang , Haixu Tang , Judy Fox

We introduce gec-metrics, a library for using and developing grammatical error correction (GEC) evaluation metrics through a unified interface. Our library enables fair system comparisons by ensuring that everyone conducts evaluations using…

Computation and Language · Computer Science 2025-05-27 Takumi Goto , Yusuke Sakai , Taro Watanabe

Graph Neural Networks (GNNs) have demonstrated effectiveness in various graph-based tasks. However, their inefficiency in training and inference presents challenges for scaling up to real-world and large-scale graph applications. To address…

Machine Learning · Computer Science 2024-05-08 Lu Ma , Zeang Sheng , Xunkai Li , Xinyi Gao , Zhezheng Hao , Ling Yang , Wentao Zhang , Bin Cui

We propose GraphMineSuite (GMS): the first benchmarking suite for graph mining that facilitates evaluating and constructing high-performance graph mining algorithms. First, GMS comes with a benchmark specification based on extensive…

Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of…

Machine Learning · Computer Science 2025-06-02 Guy Bar-Shalom , Yam Eitan , Fabrizio Frasca , Haggai Maron

Standardized DNN models that have been proved to perform well on machine learning tasks are widely used and often adopted as-is to solve downstream tasks, forming the transfer learning paradigm. However, when serving multiple instances of…

Machine Learning · Computer Science 2020-09-29 Joo Seong Jeong , Soojeong Kim , Gyeong-In Yu , Yunseong Lee , Byung-Gon Chun