Explainable AI for Data-Driven Design of High-Dimensional Predictive Studies
为高维预测研究的数据驱动设计开发可解释的AI
Junyu Yan, Damian Machlanski, Kurt Butler, Panagiotis Dimitrakopoulos, Ewen M Harrison, Bruce Guthrie, Sotirios A Tsaftaris
机构
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School of Engineering, University of Edinburgh(爱丁堡大学工程学院)
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Causality in Healthcare AI Hub (CHAI)(医疗因果AI枢纽)
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Advanced Care Research Centre, Usher School of Population Health Sciences, University of Edinburgh(先进护理研究中心,乌瑟人口健康科学学院,爱丁堡大学)
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Centre for Medical Informatics, Usher School of Population Health Sciences, University of Edinburgh(医学信息学中心,乌瑟人口健康科学学院,爱丁堡大学)
机构
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Dept. of Electrical and Computer Engineering, University of Maryland, College Park, MD, USA(电气与计算机工程系,马里兰大学,College Park, MD, USA)
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Dept. of Computer Science, University of Maryland, College Park, MD, USA(计算机科学系,马里兰大学,College Park, MD, USA)
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James Clark School of Engineering, University of Maryland, College Park, MD, USA(James Clark工程学院,马里兰大学,College Park, MD, USA)
Topology-Aware Multiscale Mixture of Experts for Efficient Molecular Property Prediction
基于拓扑的多尺度专家混合方法用于高效分子性质预测
Long D. Nguyen, Kelin Xia, Binh P. Nguyen
机构
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School of Mathematics and Statistics(数学与统计学学院)
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Victoria University of Wellington(威灵顿维多利亚大学)
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School of Physical and Mathematical Sciences(物理与数学科学学院)
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Nanyang Technological University(南洋理工大学)
Tensor-DTI: Enhancing Biomolecular Interaction Prediction with Contrastive Embedding Learning
张量-DTI:通过对比嵌入学习增强生物分子相互作用预测
Manel Gil-Sorribes, Júlia Vilalta-Mor, Isaac Filella-Mercè, Robert Soliva, Álvaro Ciudad, Víctor Guallar, Alexis Molina
机构
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Nostrum Biodiscovery
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Barcelona Supercomputing Center(巴塞罗那超级计算中心)
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Faculty of Pharmacy and Food Sciences, University of Barcelona(巴塞罗那大学药学与食品科学系)
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Catalan Institution for Research and Advanced Studies (ICREA)(加泰罗尼亚研究与高级研究机构)
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Data Science Dpt., Almirall S.A.(Almirall S.A.数据科学部门)
CommentsAccepted at the Generative and Experimental Perspectives for Biomolecular Design Workshop at ICLR 2025 and at the Learning Meaningful Representations of Life Workshop at ICLR 2025