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When it comes to the classification of brain signals in real-life applications, the training and the prediction data are often described by different distributions. Furthermore, diverse data sets, e.g., recorded from various subjects or…

Increasingly large datasets of robot actions and sensory observations are being collected to train ever-larger neural networks. These datasets are collected based on tasks and while these tasks may be distinct in their descriptions, many…

Robotics · Computer Science 2025-10-23 Basavasagar Patil , Sydney Belt , Jayjun Lee , Nima Fazeli , Bernadette Bucher

With the development of new sensors and monitoring devices, more sources of data become available to be used as inputs for machine learning models. These can on the one hand help to improve the accuracy of a model. On the other hand,…

Machine Learning · Statistics 2023-11-07 Luis Pedro Silvestrin , Harry van Zanten , Mark Hoogendoorn , Ger Koole

As a necessary process in drug development, finding a drug compound that can selectively bind to a specific protein is highly challenging and costly. Drug-target affinity (DTA), which represents the strength of drug-target interaction…

Biomolecules · Quantitative Biology 2023-12-18 Zhiqin Zhu , Zheng Yao , Guanqiu Qi , Neal Mazur , Baisen Cong

Transfer learning has become a powerful tool to initialize deep learning models to achieve faster convergence and higher performance. This is especially useful in the medical imaging analysis domain, where data scarcity limits possible…

Computer Vision and Pattern Recognition · Computer Science 2025-04-16 Ibrahim Almakky , Santosh Sanjeev , Anees Ur Rehman Hashmi , Mohammad Areeb Qazi , Hu Wang , Mohammad Yaqub

We propose a unified framework for adaptive routing in multitask, multimodal prediction settings where data heterogeneity and task interactions vary across samples. Motivated by applications in psychotherapy where structured assessments and…

The longitudinal analysis of patient response time course following doses of therapeutics is currently performed using Pharmacokinetic/Pharmacodynamic (PK/PD) methodologies, which requires significant human experience and expertise in the…

Machine Learning · Computer Science 2021-06-24 James Lu , Brendan Bender , Jin Y. Jin , Yuanfang Guan

Molecular representation learning is pivotal for various molecular property prediction tasks related to drug discovery. Robust and accurate benchmarks are essential for refining and validating current methods. Existing molecular property…

Chemical Physics · Physics 2024-06-27 Shikun Feng , Jiaxin Zheng , Yinjun Jia , Yanwen Huang , Fengfeng Zhou , Wei-Ying Ma , Yanyan Lan

Machine learning shows great potential in virtual screening for drug discovery. Current efforts on accelerating docking-based virtual screening do not consider using existing data of other previously developed targets. To make use of the…

Machine Learning · Computer Science 2021-12-14 Zijing Liu , Xianbin Ye , Xiaomin Fang , Fan Wang , Hua Wu , Haifeng Wang

Neural processes have recently emerged as a class of powerful neural latent variable models that combine the strengths of neural networks and stochastic processes. As they can encode contextual data in the network's function space, they…

Machine Learning · Computer Science 2021-12-03 Jiayi Shen , Xiantong Zhen , Marcel Worring , Ling Shao

The emergence of multi-modal deep learning models has made significant impacts on clinical applications in the last decade. However, the majority of models are limited to single-tasking, without considering disease diagnosis is indeed a…

Computer Vision and Pattern Recognition · Computer Science 2024-03-05 Lijian Xu , Ziyu Ni , Xinglong Liu , Xiaosong Wang , Hongsheng Li , Shaoting Zhang

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

Predictive dosimetry is central to enabling personalized radiopharmaceutical therapy (RPT), particularly in prostate specific membrane antigen (PSMA) targeted theranostics. In this work, we develop a three layer computational framework that…

Medical Physics · Physics 2026-02-02 Hamid Abdollahi , James Fowler , Carlos Uribe , Arman Rahmim

Drug-Target Interaction (DTI) prediction is vital for drug discovery, yet challenges persist in achieving model interpretability and optimizing performance. We propose a novel transformer-based model, FragXsiteDTI, that aims to address…

This paper presents meta-sparsity, a framework for learning model sparsity, basically learning the parameter that controls the degree of sparsity, that allows deep neural networks (DNNs) to inherently generate optimal sparse shared…

Machine Learning · Computer Science 2025-01-22 Richa Upadhyay , Ronald Phlypo , Rajkumar Saini , Marcus Liwicki

The task of drug-target interaction prediction holds significant importance in pharmacology and therapeutic drug design. In this paper, we present FRnet-DTI, an auto encoder and a convolutional classifier for feature manipulation and drug…

Machine Learning · Computer Science 2020-05-26 Farshid Rayhan , Sajid Ahmed , Zaynab Mousavian , Dewan Md Farid , Swakkhar Shatabda

Given the increasing availability of RNA-seq data and its complex and heterogeneous nature, there has been growing interest in applying AI/machine learning methodologies to work with such data modalities. However, because omics data is…

Genomics · Quantitative Biology 2023-11-22 Kevin Li , Danko Nikolić , Vjekoslav Nikolić , Davor Andrić , Lauren M. Sanders , Sylvain V. Costes

Real-world clinical data is inherently multimodal, providing complementary evidence that mirrors the practical necessity of jointly assessing multiple related outcomes. Although multi-task learning can improve efficiency by sharing…

Machine Learning · Computer Science 2026-05-06 He Lyu , Huolin Zeng , Junren Wang , Huazhen Yang , Linchao He , Yong Chen , Zhirui Li , Andreas Maier , Siming Bayer , Huan Song

The limited representation of minorities and disadvantaged populations in large-scale clinical and genomics research has become a barrier to translating precision medicine research into practice. Due to heterogeneity across populations,…

Machine Learning · Statistics 2021-08-30 Sai Li , Tianxi Cai , Rui Duan

We present a unique, multitask dataset comprising 143 drug and drug candidate molecules, each evaluated on in vitro, parallel artificial-membrane permeability assays (PAMPA) using six different model membranes. Using this resource, we…

Machine Learning · Computer Science 2026-05-04 Andrs Formanek , Anna Vincze , Richrd Bicsak , Yves Moreau , Gyorgy T. Balogh , Adam Arany