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Simultaneously optimizing molecules against multiple therapeutic targets remains a profound challenge in drug discovery, particularly due to sparse rewards and conflicting design constraints. We propose a structured active learning (AL)…

Machine Learning · Computer Science 2025-06-24 Júlia Vilalta-Mor , Alexis Molina , Laura Ortega Varga , Isaac Filella-Merce , Victor Guallar

There are already many DNA large language models, but most of them still follow traditional uses, such as extracting sequence features for classification tasks. More innovative applications of large language models, such as prompt…

Genomics · Quantitative Biology 2024-10-29 Wang Liang

Federated Learning (FL) enables multiple institutes to train models collaboratively without sharing private data. Current FL research focuses on communication efficiency, privacy protection, and personalization and assumes that the data of…

Computer Vision and Pattern Recognition · Computer Science 2024-06-18 Zhipeng Deng , Yuqiao Yang , Kenji Suzuki

Active learning (AL) is a prominent technique for reducing the annotation effort required for training machine learning models. Deep learning offers a solution for several essential obstacles to deploying AL in practice but introduces many…

Computation and Language · Computer Science 2022-05-10 Akim Tsvigun , Artem Shelmanov , Gleb Kuzmin , Leonid Sanochkin , Daniil Larionov , Gleb Gusev , Manvel Avetisian , Leonid Zhukov

The scientific community has been increasingly interested in harnessing the power of deep learning to solve various domain challenges. However, despite the effectiveness in building predictive models, fundamental challenges exist in…

Computer Vision and Pattern Recognition · Computer Science 2020-07-01 Shusen Liu , Bhavya Kailkhura , Jize Zhang , Anna M. Hiszpanski , Emily Robertson , Donald Loveland , T. Yong-Jin Han

Active learning (AL) on attributed graphs has received increasing attention with the prevalence of graph-structured data. Although AL has been widely studied for alleviating label sparsity issues with the conventional non-related data, how…

Machine Learning · Computer Science 2020-08-07 Yayong Li , Jie Yin , Ling Chen

Drug discovery is vitally important for protecting human against disease. Target-based screening is one of the most popular methods to develop new drugs in the past several decades. This method efficiently screens candidate drugs inhibiting…

Quantitative Methods · Quantitative Biology 2022-11-22 Fan Hu , Dongqi Wang , Huazhen Huang , Yishen Hu , Peng Yin

Structural changes in a network representation of a system (e.g.,different experimental conditions, time evolution), can provide insight on its organization, function and on how it responds to external perturbations. The deeper…

Data Analysis, Statistics and Probability · Physics 2021-01-04 Leonardo L. Portes , Michael Small

Sensor-based human activity recognition (HAR) requires to predict the action of a person based on sensor-generated time series data. HAR has attracted major interest in the past few years, thanks to the large number of applications enabled…

Machine Learning · Computer Science 2021-03-30 Davide Buffelli , Fabio Vandin

Predictive modeling often uses black box machine learning methods, such as deep neural networks, to achieve state-of-the-art performance. In scientific domains, the scientist often wishes to discover which features are actually important…

Machine Learning · Statistics 2020-08-03 Mukund Sudarshan , Wesley Tansey , Rajesh Ranganath

Deep learning-based human activity recognition (HAR) methods have shown great promise in the applications of smart healthcare systems and wireless body sensor network (BSN). Despite their demonstrated performance in laboratory settings, the…

Human-Computer Interaction · Computer Science 2023-03-28 Baichun Wei , Chunzhi Yi , Qi Zhang , Haiqi Zhu , Jianfei Zhu , Feng Jiang

We examine the problem of joint top-down active search of multiple objects under interaction, e.g., person riding a bicycle, cups held by the table, etc.. Such objects under interaction often can provide contextual cues to each other to…

Computer Vision and Pattern Recognition · Computer Science 2017-02-21 Xiangyu Kong , Bo Xin , Yizhou Wang , Gang Hua

Training robust deep learning (DL) systems for medical image classification or segmentation is challenging due to limited images covering different disease types and severity. We propose an active learning (AL) framework to select most…

Computer Vision and Pattern Recognition · Computer Science 2019-10-23 Dwarikanath Mahapatra , Behzad Bozorgtabar , Jean-Philippe Thiran , Mauricio Reyes

Multispecific antibodies offer transformative therapeutic potential by engaging multiple epitopes simultaneously, yet their efficacy is an emergent property governed by complex molecular architectures. Rational design is often bottlenecked…

High accuracy medical image classification can be limited by the costs of acquiring more data as well as the time and expertise needed to label existing images. In this paper, we apply active learning to medical image classification, a…

Computer Vision and Pattern Recognition · Computer Science 2022-06-28 Emma Slade , Kim M. Branson

Several techniques have been proposed to address the problem of recognizing activities of daily living from signals. Deep learning techniques applied to inertial signals have proven to be effective, achieving significant classification…

Signal Processing · Electrical Eng. & Systems 2022-01-21 Hamza Amrani , Daniela Micucci , Marco Mobilio , Paolo Napoletano

Federated learning enables multiple clients to collaboratively contribute to the learning of a global model orchestrated by a central server. This learning scheme promotes clients' data privacy and requires reduced communication overheads.…

Computational protein design, i.e. inferring novel and diverse protein sequences consistent with a given structure, remains a major unsolved challenge. Recently, deep generative models that learn from sequences alone or from sequences and…

Biomolecules · Quantitative Biology 2021-11-15 Igor Melnyk , Payel Das , Vijil Chenthamarakshan , Aurelie Lozano

Multi-scale biomedical knowledge networks are expanding with emerging experimental technologies that generates multi-scale biomedical big data. Link prediction is increasingly used especially in bipartite biomedical networks to identify…

Social and Information Networks · Computer Science 2022-02-25 Jinjiang Guo , Jie Li , Dawei Leng , Lurong Pan

Motivation: Gene regulatory interactions are of fundamental importance to various biological functions and processes. However, only a few previous computational studies have claimed success in revealing genome-wide regulatory landscapes…

Molecular Networks · Quantitative Biology 2017-02-09 Shupeng Gui , Rui Chen , Liang Wu , Ji Liu , Hongyu Miao