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Deep learning models have driven significant progress in predicting protein function and interactions at the protein level. While these advancements have been invaluable for many biological applications such as enzyme engineering and…

Machine Learning · Computer Science 2025-05-20 Yang Tan , Wenrui Gou , Bozitao Zhong , Liang Hong , Huiqun Yu , Bingxin Zhou

In recent era prediction of enzyme class from an unknown protein is one of the challenging tasks in bioinformatics. Day to day the number of proteins is increases as result the prediction of enzyme class gives a new opportunity to…

Machine Learning · Computer Science 2019-01-21 Chhote Lal Prasad Gupta , Anand Bihari , Sudhakar Tripathi

Predicting protein properties is paramount for biological and medical advancements. Current protein engineering mutates on a typical protein, called the wild-type, to construct a family of homologous proteins and study their properties.…

Machine Learning · Computer Science 2024-06-26 Zhiqiang Zhong , Davide Mottin

Predicting the effect of mutations in proteins is one of the most critical challenges in protein engineering; by knowing the effect a substitution of one (or several) residues in the protein's sequence has on its overall properties, could…

Computational Engineering, Finance, and Science · Computer Science 2020-10-08 David Medina-Ortiz , Sebastian Contreras , Juan Amado-Hinojosa , Jorge Torres-Almonacid , Juan A. Asenjo , Marcelo Navarrete , Álvaro Olivera-Nappa

Approximate dynamic programming (ADP) has proven itself in a wide range of applications spanning large-scale transportation problems, health care, revenue management, and energy systems. The design of effective ADP algorithms has many…

Optimization and Control · Mathematics 2014-07-15 Ilya O. Ryzhov , Peter I. Frazier , Warren B. Powell

Vision-based pose estimation of articulated robots with unknown joint angles has applications in collaborative robotics and human-robot interaction tasks. Current frameworks use neural network encoders to extract image features and…

Robotics · Computer Science 2025-05-05 Raktim Gautam Goswami , Prashanth Krishnamurthy , Yann LeCun , Farshad Khorrami

Diffusion policies have recently emerged as a powerful class of visuomotor controllers for robot manipulation, offering stable training and expressive multi-modal action modeling. However, existing approaches typically treat action…

Robotics · Computer Science 2025-10-01 Zezeng Li , Rui Yang , Ruochen Chen , ZhongXuan Luo , Liming Chen

Accurately modeling the protein fitness landscapes holds great importance for protein engineering. Recently, due to their capacity and representation ability, pre-trained protein language models have achieved state-of-the-art performance in…

Biomolecules · Quantitative Biology 2024-02-06 Ziyi Zhou , Liang Zhang , Yuanxi Yu , Mingchen Li , Liang Hong , Pan Tan

Identifying the optimal diagnostic test and hardware system instance to infer reliability characteristics using field data is challenging, especially when constrained by fixed budgets and minimal maintenance cycles. Active Learning (AL) has…

Applications · Statistics 2025-07-25 Michael Potter , Beyza Kalkanlı , Deniz Erdoğmuş , Michael Everett

Computationally predicting protein-protein interactions (PPIs) is challenging due to the lack of integrated, multimodal protein representations. DPEB is a curated collection of 22,043 human proteins that integrates four embedding types:…

High throughput sequencing techniques have highly impactedon modern biology, widening the gap between sequenced andannotated data. Automatic annotation tools are thereforeof the foremost importance to guide biologists' experiments. However,…

Machine Learning · Statistics 2016-10-02 Luca Masera

Predicting vulnerable source code helps to focus attention on those parts of the code that need to be examined with more scrutiny. Recent work proposed the use of function names as semantic cues that can be learned by a deep neural network…

Cryptography and Security · Computer Science 2022-02-08 David Binkley , Leon Moonen , Sibren Isaacman

Machine learning (ML) has been playing important roles in drug discovery in the past years by providing (pre-)screening tools for prioritising chemical compounds to pass through wet lab experiments. One of the main ML tasks in drug…

Biomolecules · Quantitative Biology 2025-02-25 Alex G. C. de Sá , David B. Ascher

Understanding protein structure-function relationships is a key challenge in computational biology, with applications across the biotechnology and pharmaceutical industries. While it is known that protein structure directly impacts protein…

Biomolecules · Quantitative Biology 2020-11-02 Nicolas Swenson , Aditi S. Krishnapriyan , Aydin Buluc , Dmitriy Morozov , Katherine Yelick

Anomaly detection (AD) is an important machine learning task with applications in fraud detection, content moderation, and user behavior analysis. However, AD is relatively understudied in a natural language processing (NLP) context,…

Computation and Language · Computer Science 2025-10-13 Yuangang Li , Jiaqi Li , Zhuo Xiao , Tiankai Yang , Yi Nian , Xiyang Hu , Yue Zhao

Deep Learning and big data have shown tremendous success in bioinformatics and computational biology in recent years; artificial intelligence methods have also significantly contributed in the task of protein function classification. This…

Biomolecules · Quantitative Biology 2022-11-18 Divyanshu Aggarwal , Yasha Hasija

Adaptive optimization algorithms -- such as Adagrad, Adam, and their variants -- have found widespread use in machine learning, signal processing and many other settings. Several methods in this family are not rotationally equivariant,…

Machine Learning · Computer Science 2026-02-17 Adela DePavia , Jose Cruzado , Jiayou Liang , Vasileios Charisopoulos , Rebecca Willett

Modern software systems are usually highly configurable, providing users with customized functionality through various configuration options. Understanding how system performance varies with different option combinations is important to…

Software Engineering · Computer Science 2022-04-11 Jiezhu Cheng , Cuiyun Gao , Zibin Zheng

Dependency pairs (DPs) are one of the most powerful techniques for automated termination analysis of term rewrite systems. Recently, we adapted the DP framework to the probabilistic setting to prove almost-sure termination (AST) via…

Logic in Computer Science · Computer Science 2025-01-23 Jan-Christoph Kassing , Jürgen Giesl

We propose a ranking and selection procedure to prioritize relevant predictors and control false discovery proportion (FDP) of variable selection. Our procedure utilizes a new ranking method built upon the de-sparsified Lasso estimator. We…

Methodology · Statistics 2018-12-12 X. Jessie Jeng , Xiongzhi Chen