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Accurate phase equilibria are foundational to alloy design because they encode the underlying thermodynamics governing stability, transformations, and processing windows. However, while the CALculation of Phase Diagrams (CALPHAD) provides a…

机器学习 · 计算机科学 2026-04-21 Eunjeong Park , Amrita Basak

Prevailing methods for graphs require abundant label and edge information for learning. When data for a new task are scarce, meta-learning can learn from prior experiences and form much-needed inductive biases for fast adaption to new…

机器学习 · 计算机科学 2021-01-12 Kexin Huang , Marinka Zitnik

graph neural networks (GNNs) are the dominant paradigm for modeling and handling graph structure data by learning universal node representation. The traditional way of training GNNs depends on a great many labeled data, which results in…

机器学习 · 计算机科学 2022-09-12 Shuai Ma , Jian-wei Liu , Xin Zuo

Meta-analysis of multiple genome-wide association studies (GWAS) is effective for detecting single or multi marker associations with complex traits. We develop a flexible procedure ("STAMP") based on mixture models to perform region based…

统计方法学 · 统计学 2018-01-01 Andriy Derkach , Ruth M. Pfeiffer

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

机器学习 · 计算机科学 2020-02-06 Seongjun Yun , Minbyul Jeong , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Real-world graphs are typically complex, exhibiting heterogeneity in the global structure, as well as strong heterophily within local neighborhoods. While a growing body of literature has revealed the limitations of common graph neural…

Graph generation is a critical task in numerous domains, including molecular design and social network analysis, due to its ability to model complex relationships and structured data. While most modern graph generative models utilize…

机器学习 · 计算机科学 2025-06-04 Xiaohui Chen , Yinkai Wang , Jiaxing He , Yuanqi Du , Soha Hassoun , Xiaolin Xu , Li-Ping Liu

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…

机器学习 · 计算机科学 2019-11-21 Wenlin Wang , Hongteng Xu , Zhe Gan , Bai Li , Guoyin Wang , Liqun Chen , Qian Yang , Wenqi Wang , Lawrence Carin

We propose a novel transformer model, capable of segmenting medical images of varying modalities. Challenges posed by the fine grained nature of medical image analysis mean that the adaptation of the transformer for their analysis is still…

图像与视频处理 · 电气工程与系统科学 2023-01-31 Athanasios Tragakis , Chaitanya Kaul , Roderick Murray-Smith , Dirk Husmeier

A heterogeneous graph consists of different vertices and edges types. Learning on heterogeneous graphs typically employs meta-paths to deal with the heterogeneity by reducing the graph to a homogeneous network, guide random walks or capture…

机器学习 · 统计学 2023-03-06 See Hian Lee , Feng Ji , Wee Peng Tay

The recent past has seen an increasing interest in Heterogeneous Graph Neural Networks (HGNNs), since many real-world graphs are heterogeneous in nature, from citation graphs to email graphs. However, existing methods ignore a tree…

机器学习 · 计算机科学 2025-04-15 Mingyu Guan , Jack W. Stokes , Qinlong Luo , Fuchen Liu , Purvanshi Mehta , Elnaz Nouri , Taesoo Kim

Biological systems are governed by structured molecular interactions, where pathways, regulatory circuits, and functional gene relationships shape cellular behavior and disease progression. Much of this knowledge is naturally represented as…

机器学习 · 计算机科学 2026-05-26 Yuwei Xue , Sakib Mostafa , James Zou , Joseph Liao , Maximilian Diehn , Ash A. Alizadeh , Lei Xing , Md. Tauhidul Islam

Multi-label classification aims to recognize multiple objects or attributes from images. However, it is challenging to learn from proper label graphs to effectively characterize such inter-label correlations or dependencies. Current methods…

计算机视觉与模式识别 · 计算机科学 2024-01-17 Jin Yuan , Shikai Chen , Yao Zhang , Zhongchao Shi , Xin Geng , Jianping Fan , Yong Rui

Drug-target interaction (DTI) prediction is a core task in drug development and precision medicine in the biomedical field. However, traditional machine learning methods generally have the black box problem, which makes it difficult to…

定量方法 · 定量生物学 2025-04-30 Wenfeng Dai , Yanhong Wang , Shuai Yan , Qingzhi Yu , Xiang Cheng

The Transformer architecture has recently gained considerable attention in the field of graph representation learning, as it naturally overcomes several limitations of Graph Neural Networks (GNNs) with customized attention mechanisms or…

机器学习 · 计算机科学 2025-04-01 Jianqing Liang , Min Chen , Jiye Liang

Existing multiplex graph models often assume homophily, where connected nodes tend to belong to the same class or share similar attributes. Consequently, these models may struggle with graphs exhibiting heterophily, where connected nodes…

机器学习 · 计算机科学 2026-05-14 Kamel Abdous , Nairouz Mrabah , Mohamed Bouguessa

In this thesis, we study the problem of feature learning on heterogeneous knowledge graphs. These features can be used to perform tasks such as link prediction, classification and clustering on graphs. Knowledge graphs provide rich…

机器学习 · 计算机科学 2018-09-11 Sebastian Bischoff

Trust prediction provides valuable support for decision-making, risk mitigation, and system security enhancement. Recently, Graph Neural Networks (GNNs) have emerged as a promising approach for trust prediction, owing to their ability to…

机器学习 · 计算机科学 2025-12-15 Jie Wang , Zheng Yan , Jiahe Lan , Xuyan Li , Elisa Bertino

Predicting medications is a crucial task in many intelligent healthcare systems. It can assist doctors in making informed medication decisions for patients according to electronic medical records (EMRs). However, medication prediction is a…

人工智能 · 计算机科学 2022-05-02 Yang An , Bo Jin , Xiaopeng Wei

Motivation: Real-world data often contain measurements with both continuous and discrete values. Despite the availability of many libraries, data sets with mixed data types require intensive pre-processing steps, and it remains a challenge…

机器学习 · 计算机科学 2020-05-12 Erdogan Taskesen