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Model merging has gained prominence in machine learning as a method to integrate multiple trained models into a single model without accessing the original training data. While existing approaches have demonstrated success in domains such…

Machine Learning · Computer Science 2025-03-28 Vipul Garg , Ishita Thakre , Sayan Ranu

Comparing the internal representations of neural networks is a central goal in both neuroscience and machine learning. Standard alignment metrics operate on raw neural activations, implicitly assuming that similar representations produce…

Machine Learning · Computer Science 2026-04-02 Sunny Liu , Habon Issa , André Longon , Liv Gorton , Meenakshi Khosla , David Klindt

Background: The problem of predicting whether a drug combination of arbitrary orders is likely to induce adverse drug reactions is considered in this manuscript. Methods: Novel kernels over drug combinations of arbitrary orders are…

Machine Learning · Computer Science 2019-02-26 Wen-Hao Chiang , Li Shen , Lang Li , Xia Ning

Cross-platform account matching plays a significant role in social network analytics, and is beneficial for a wide range of applications. However, existing methods either heavily rely on high-quality user generated content (including user…

Social and Information Networks · Computer Science 2020-06-04 Hongxu Chen , Hongzhi Yin , Xiangguo Sun , Tong Chen , Bogdan Gabrys , Katarzyna Musial

Identifying relationships between molecular variations and their clinical presentations has been challenged by the heterogeneous causes of a disease. It is imperative to unveil the relationship between the high dimensional molecular…

Methodology · Statistics 2021-09-02 Wennan Chang , Changlin Wan , Yong Zang , Chi Zhang , Sha Cao

Drug-drug interaction(DDI) prediction is an important task in the medical health machine learning community. This study presents a new method, multi-view graph contrastive representation learning for drug-drug interaction prediction,…

Machine Learning · Computer Science 2021-04-13 Yingheng Wang , Yaosen Min , Xin Chen , Ji Wu

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…

Biomolecules · Quantitative Biology 2020-12-17 Mostafa Karimi , Di Wu , Zhangyang Wang , Yang Shen

Predicting whether two drugs interact (binary detection) is a substantially dif- ferent task from predicting the mechanism type of that interaction (multi-class classification). This study presents a systematic ablation study of three Graph…

Machine Learning · Computer Science 2026-05-28 Juergen Dietrich

Accurate drug response prediction (DRP) is a crucial yet challenging task in precision medicine. This paper presents a novel Attention-Guided Multi-omics Integration (AGMI) approach for DRP, which first constructs a Multi-edge Graph (MeG)…

Genomics · Quantitative Biology 2022-01-20 Ruiwei Feng , Yufeng Xie , Minshan Lai , Danny Z. Chen , Ji Cao , Jian Wu

Effective therapy of complex diseases requires control of highly non-linear complex networks that remain incompletely characterized. In particular, drug intervention can be seen as control of signaling in cellular networks. Identification…

Quantitative Methods · Quantitative Biology 2009-09-03 Jacob D. Feala , Jorge Cortes , Phillip M. Duxbury , Carlo Piermarocchi , Andrew D. McCulloch , Giovanni Paternostro

Graph alignment, the problem of identifying corresponding nodes across multiple graphs, is fundamental to numerous applications. Most existing unsupervised methods embed node features into latent representations to enable cross-graph…

Machine Learning · Computer Science 2025-09-30 Maysam Behmanesh , Erkan Turan , Maks Ovsjanikov

Learning low-dimensional embeddings of knowledge graphs is a powerful approach used to predict unobserved or missing edges between entities. However, an open challenge in this area is developing techniques that can go beyond simple edge…

Social and Information Networks · Computer Science 2019-10-30 William L. Hamilton , Payal Bajaj , Marinka Zitnik , Dan Jurafsky , Jure Leskovec

Identification of drug-target interactions is an indispensable part of drug discovery. While conventional shallow machine learning and recent deep learning methods based on chemogenomic properties of drugs and target proteins have pushed…

Quantitative Methods · Quantitative Biology 2024-04-05 Yuanyuan Zhang , Yingdong Wang , Chaoyong Wu , Lingmin Zhana , Aoyi Wang , Caiping Cheng , Jinzhong Zhao , Wuxia Zhang , Jianxin Chen , Peng Li

Molecular representation learning is vital for various downstream applications, including the analysis and prediction of molecular properties and side effects. While Graph Neural Networks (GNNs) have been a popular framework for modeling…

Machine Learning · Computer Science 2025-02-18 Pengcheng Jiang , Cao Xiao , Tianfan Fu , Parminder Bhatia , Taha Kass-Hout , Jimeng Sun , Jiawei Han

Background: The expanding research in the field of long non-coding RNAs(lncRNAs) showed abnormal expression of lncRNAs in many complex diseases. Accurately identifying lncRNA-disease association is essential in understanding lncRNA…

Quantitative Methods · Quantitative Biology 2020-06-24 Manu Madhavan , Gopakumar G

Entity alignment is a viable means for integrating heterogeneous knowledge among different knowledge graphs (KGs). Recent developments in the field often take an embedding-based approach to model the structural information of KGs so that…

Computation and Language · Computer Science 2019-09-23 Yuting Wu , Xiao Liu , Yansong Feng , Zheng Wang , Dongyan Zhao

Although combination antiretroviral therapy (ART) is highly effective in suppressing viral load for people with HIV (PWH), many ART agents may exacerbate central nervous system (CNS)-related adverse effects including depression. Therefore,…

Methodology · Statistics 2020-04-14 Wei Jin , Yang Ni , Leah H. Rubin , Amanda B. Spence , Yanxun Xu

Many studies have sought to identify interdisciplinary research as a function of the diversity of disciplines identified in an article's references or citations. However, given the constant evolution of the scientific landscape,…

Digital Libraries · Computer Science 2022-04-11 Eoghan Cunningham , Derek Greene

Drug repurposing has historically been an economically infeasible process for identifying novel uses for abandoned drugs. Modern machine learning has enabled the identification of complex biochemical intricacies in candidate drugs; however,…

Machine Learning · Computer Science 2025-09-16 Luke Delzer , Robert Kroleski , Ali K. AlShami , Jugal Kalita

Drug-drug interactions are preventable causes of medical injuries and often result in doctor and emergency room visits. Computational techniques can be used to predict potential drug-drug interactions. We approach the drug-drug interaction…

Machine Learning · Computer Science 2019-08-06 Guy Shtar , Lior Rokach , Bracha Shapira