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In the face of rapidly accumulating genomic data, our understanding of the RNA regulatory code remains incomplete. Recent self-supervised methods in other domains have demonstrated the ability to learn rules underlying the data-generating…

Machine Learning · Computer Science 2023-10-18 Philip Fradkin , Ruian Shi , Bo Wang , Brendan Frey , Leo J. Lee

Drug discovery using deep learning has attracted a lot of attention of late as it has obvious advantages like higher efficiency, less manual guessing and faster process time. In this paper, we present a novel neural network for generating…

Biomolecules · Quantitative Biology 2021-10-08 Abhinav Sagar

This report presents the winning solution for Task 2 of Colliding with Adversaries: A Challenge on Robust Learning in High Energy Physics Discovery at ECML-PKDD 2025. The goal of the challenge was to design and train a robust ANN-based…

Machine Learning · Computer Science 2025-12-11 Dimitris Stefanopoulos , Andreas Voskou

Malaria is a parasitic infection that poses a significant burden on global health. It kills one child every 30 seconds and over one million people annually. If diagnosed in a timely manner, however, most people can be effectively treated…

Computer Vision and Pattern Recognition · Computer Science 2021-08-10 Vignav Ramesh

Deep learning algorithms excel at extracting patterns from raw data, and with large datasets, they have been very successful in computer vision and natural language applications. However, in other domains, large datasets on which to learn…

Machine Learning · Computer Science 2018-09-17 Garrett B. Goh , Khushmeen Sakloth , Charles Siegel , Abhinav Vishnu , Jim Pfaendtner

This paper presents Rudra, a parameter server based distributed computing framework tuned for training large-scale deep neural networks. Using variants of the asynchronous stochastic gradient descent algorithm we study the impact of…

Machine Learning · Statistics 2016-12-07 Suyog Gupta , Wei Zhang , Fei Wang

Predicting clinical outcomes to anti-cancer drugs on a personalized basis is challenging in cancer treatment due to the heterogeneity of tumors. Traditional computational efforts have been made to model the effect of drug response on…

Machine Learning · Computer Science 2022-07-12 Jie Gao , Jing Hu , Wanqing Sun , Yili Shen , Xiaonan Zhang , Xiaomin Fang , Fan Wang , Guodong Zhao

Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe…

Biomolecules · Quantitative Biology 2016-02-17 Juan Antonio Garcia-Martin , Peter Clote

The customizable nature of deep learning models have allowed them to be successful predictors in various disciplines. These models are often trained with respect to thousands or millions of instances for complicated problems, but the…

Machine Learning · Computer Science 2019-12-24 Drimik Roy Chowdhury , Muhammad Firmansyah Kasim

New technology for energy storage is necessary for the large-scale adoption of renewable energy sources like wind and solar. The ability to discover suitable catalysts is crucial for making energy storage more cost-effective and scalable.…

Chemical Physics · Physics 2024-04-17 Patrick Geitner

Concerns about the reproducibility of deep learning research are more prominent than ever, with no clear solution in sight. The relevance of machine learning research can only be improved if we also employ empirical rigor that incorporates…

Machine Learning · Computer Science 2022-10-21 Attila Simko , Anders Garpebring , Joakim Jonsson , Tufve Nyholm , Tommy Löfstedt

Geophysical inversion attempts to estimate the distribution of physical properties in the Earth's interior from observations collected at or above the surface. Inverse problems are commonly posed as least-squares optimization problems in…

Geophysics · Physics 2019-05-22 Vladimir Puzyrev

Scientific machine learning (SciML) increasingly requires models that capture multimodal conditional uncertainty arising from ill-posed inverse problems, multistability, and chaotic dynamics. While recent work has favored highly expressive…

Machine Learning · Computer Science 2026-02-03 Leonardo Ferreira Guilhoto , Akshat Kaushal , Paris Perdikaris

The ongoing COVID-19 pandemic continues to pose significant challenges to global public health, despite the widespread availability of vaccines. Early detection of the disease remains paramount in curbing its transmission and mitigating its…

Machine Learning · Computer Science 2024-12-05 Mohsen Asghari Ilani , Saba Moftakhar Tehran , Ashkan Kavei , Arian Radmehr

Deep learning has taken part in the competition since not long ago to learn and identify phase transitions in physical systems such as many body quantum systems, whose underlying lattice structures are generally regular as they're in…

Physics and Society · Physics 2020-01-08 Qi Ni , Jie Kang , Ming Tang , Ying Liu , Yong Zou

Recent years have witnessed growing interest in the application of deep neural networks (DNNs) for receiver design, which can potentially be applied in complex environments without relying on knowledge of the channel model. However, the…

Information Theory · Computer Science 2023-02-14 Tomer Raviv , Sangwoo Park , Osvaldo Simeone , Yonina C. Eldar , Nir Shlezinger

Computational elucidation of membrane protein (MP) structures is challenging partially due to lack of sufficient solved structures for homology modeling. Here we describe a high-throughput deep transfer learning method that first predicts…

Biomolecules · Quantitative Biology 2017-08-29 Sheng Wang , Zhen Li , Yizhou Yu , Jinbo Xu

Deep learning (DL) models have received particular attention in medical imaging due to their promising pattern recognition capabilities. However, Deep Neural Networks (DNNs) require a huge amount of data, and because of the lack of…

Image and Video Processing · Electrical Eng. & Systems 2021-07-27 Donya Khaledyan , AmirReza Tajally , Ali Sarkhosh , Afshar Shamsi , Hamzeh Asgharnezhad , Abbas Khosravi , Saeid Nahavandi

Clinical trials are a systematic endeavor to assess the safety and efficacy of new drugs or treatments. Conducting such trials typically demands significant financial investment and meticulous planning, highlighting the need for accurate…

Machine Learning · Computer Science 2025-11-03 Tien Huu Do , Antoine Masquelier , Nae Eoun Lee , Jonathan Crowther

This systematic review outlines pivotal advancements in deep learning-driven protein structure prediction and design, focusing on four core models-AlphaFold, RoseTTAFold, RFDiffusion, and ProteinMPNN-developed by 2024 Nobel Laureates in…

Biological Physics · Physics 2025-04-03 Wanqing Yang , Yanwei Wang , Yang Wang