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Predicting multiple heterogeneous biological and medical targets is a challenge for traditional deep learning models. In contrast to single-task learning, in which a separate model is trained for each target, multi-task learning (MTL)…

Machine Learning · Computer Science 2022-05-31 Raquel Aoki , Frederick Tung , Gabriel L. Oliveira

The human ability of deep cognitive skills are crucial for the development of various real-world applications that process diverse and abundant user generated input. While recent progress of deep learning and natural language processing…

Fact triples are a common form of structured knowledge used within the biomedical domain. As the amount of unstructured scientific texts continues to grow, manual annotation of these texts for the task of relation extraction becomes…

Computation and Language · Computer Science 2020-05-27 Saadullah Amin , Katherine Ann Dunfield , Anna Vechkaeva , Günter Neumann

Detecting predictive biomarkers from multi-omics data is important for precision medicine, to improve diagnostics of complex diseases and for better treatments. This needs substantial experimental efforts that are made difficult by the…

Quantitative Methods · Quantitative Biology 2021-06-08 Betül Güvenç Paltun , Samuel Kaski , Hiroshi Mamitsuka

Negative sampling is significant for training sequential recommendation models under implicit feedback. The predominant strategy, self-guided hard negative sampling, selects negatives based on the model's current state but suffers from…

Information Retrieval · Computer Science 2026-05-20 Yuanzi Li , Lingjie Wang , Jingyu Zhao , Zihang Tian , Yuhan Wang , Lei Wang , Xu Chen

Recently many studies have been conducted on the topic of relation extraction. The DrugProt track at BioCreative VII provides a manually-annotated corpus for the purpose of the development and evaluation of relation extraction systems, in…

Computation and Language · Computer Science 2021-12-07 Anfu Tang , Louise Deléger , Robert Bossy , Pierre Zweigenbaum , Claire Nédellec

Medicinal synergy prediction is a powerful tool in drug discovery and development that harnesses the principles of combination therapy to enhance therapeutic outcomes by improving efficacy, reducing toxicity, and preventing drug resistance.…

Computational Engineering, Finance, and Science · Computer Science 2024-11-26 Jiawei Wu , Jun Wen , Mingyuan Yan , Anqi Dong , Shuai Gao , Ren Wang , Can Chen

The computational drug repositioning aims to discover new uses for marketed drugs, which can accelerate the drug development process and play an important role in the existing drug discovery system. However, the number of validated…

Machine Learning · Computer Science 2022-06-02 Xinxing Yang , Genke Yang , Jian Chu

Meta-reinforcement learning enables artificial agents to learn from related training tasks and adapt to new tasks efficiently with minimal interaction data. However, most existing research is still limited to narrow task distributions that…

Machine Learning · Computer Science 2023-05-02 Mingyang Wang , Zhenshan Bing , Xiangtong Yao , Shuai Wang , Hang Su , Chenguang Yang , Kai Huang , Alois Knoll

Accurate healthcare prediction is essential for improving patient outcomes. Existing work primarily leverages advanced frameworks like attention or graph networks to capture the intricate collaborative (CO) signals in electronic health…

Machine Learning · Computer Science 2025-04-02 Chuang Zhao , Hui Tang , Jiheng Zhang , Xiaomeng Li

Predicting the future behavior of agents is a fundamental task in autonomous vehicle domains. Accurate prediction relies on comprehending the surrounding map, which significantly regularizes agent behaviors. However, existing methods have…

Computer Vision and Pattern Recognition · Computer Science 2024-01-19 Chen Feng , Hangning Zhou , Huadong Lin , Zhigang Zhang , Ziyao Xu , Chi Zhang , Boyu Zhou , Shaojie Shen

Drug-target relationships may now be predicted computationally using bioinformatics data, which is a valuable tool for understanding pharmacological effects, enhancing drug development efficiency, and advancing related research. A number of…

Machine Learning · Computer Science 2024-07-16 Yuhuan Zhou , Yulin Wu , Weiwei Yuan , Xuan Wang , Junyi Li

Selecting which instances to label is a key challenge in low-label tabular learning. For recent Tabular Foundation Models such as TabPFN, context selection directly determines predictive performance. Supervised oracle experiments show that…

Machine Learning · Computer Science 2026-05-27 Oroel Ipas , Guillermo Gomez-Trenado , Rocío Romero-Zaliz , Isaac Triguero

Background and Objectives: Multidrug Resistance (MDR) is a critical global health issue, causing increased hospital stays, healthcare costs, and mortality. This study proposes an interpretable Machine Learning (ML) framework for MDR…

High throughput screening of compounds (chemicals) is an essential part of drug discovery [7], involving thousands to millions of compounds, with the purpose of identifying candidate hits. Most statistical tools, including the industry…

Machine Learning · Statistics 2017-09-29 Ivo D. Shterev , David B. Dunson , Cliburn Chan , Gregory D. Sempowski

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…

Quantitative Methods · Quantitative Biology 2025-04-30 Wenfeng Dai , Yanhong Wang , Shuai Yan , Qingzhi Yu , Xiang Cheng

Weakly supervised semantic segmentation (WSSS) has gained significant popularity since it relies only on weak labels such as image level annotations rather than pixel level annotations required by supervised semantic segmentation (SSS)…

Computer Vision and Pattern Recognition · Computer Science 2022-01-19 Kunhao Yuan , Gerald Schaefer , Yu-Kun Lai , Yifan Wang , Xiyao Liu , Lin Guan , Hui Fang

Relation triple extraction (RTE) is an essential task in information extraction and knowledge graph construction. Despite recent advancements, existing methods still exhibit certain limitations. They just employ generalized pre-trained…

Computation and Language · Computer Science 2023-09-22 Luyao He , Zhongbao Zhang , Sen Su , Yuxin Chen

We propose a unified cross-domain transfer learning framework that leverages knowledge from multiple heterogeneous medical imaging datasets to improve performance across segmentation, classification, and object detection tasks. Our approach…

Computer Vision and Pattern Recognition · Computer Science 2026-05-05 Ceausescu Ciprian-Mihai , Anghelina Ion-Marian , Alexe Dumitru-Bogdan

Accurate prediction of protein-ligand interactions is essential for computer-aided drug discovery. However, existing methods often fail to capture solvent-dependent conformational changes and lack the ability to jointly learn multiple…