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Benchmarking drug efficacy is a critical step in clinical trial design and planning. The challenge is that much of the data on efficacy endpoints is stored in scientific papers in free text form, so extraction of such data is currently a…

Many sequential decision problems can be formulated as Markov Decision Processes (MDPs) where the optimal value function (or cost-to-go function) can be shown to satisfy a monotone structure in some or all of its dimensions. When the state…

Optimization and Control · Mathematics 2015-09-03 Daniel R. Jiang , Warren B. Powell

Although machine learning has transformed protein structure prediction of folded protein ground states with remarkable accuracy, intrinsically disordered proteins and regions (IDPs/IDRs) are defined by diverse and dynamical structural…

Biomolecules · Quantitative Biology 2025-04-01 Oufan Zhang , Zi Hao Liu , Julie D Forman-Kay , Teresa Head-Gordon

Motivation: Ab initio protein docking represents a major challenge for optimizing a noisy and costly "black box"-like function in a high-dimensional space. Despite progress in this field, there is no docking method available for rigorous…

Biomolecules · Quantitative Biology 2019-02-04 Yue Cao , Yang Shen

Proteins are the basic building blocks of life. They usually perform functions by folding to a particular structure. Understanding the folding process could help the researchers to understand the functions of proteins and could also help to…

Computational Engineering, Finance, and Science · Computer Science 2015-10-21 Jianzhu Ma

The rapid advancements in artificial intelligence (AI) have revolutionized smart healthcare, driving innovations in wearable technologies, continuous monitoring devices, and intelligent diagnostic systems. However, security, explainability,…

Machine Learning · Computer Science 2024-10-02 Prasenjit Maji , Amit Kumar Mondal , Hemanta Kumar Mondal , Saraju P. Mohanty

High-resolution fingerprint recognition often relies on sophisticated matching algorithms based on hand-crafted keypoint descriptors, with pores being the most common keypoint choice. Our method is the opposite of the prevalent approach: we…

Computer Vision and Pattern Recognition · Computer Science 2018-11-26 Gabriel Dahia , Maurício Pamplona Segundo

The study of biological processes can greatly benefit from tools that automatically predict gene functions or directly cluster genes based on shared functionality. Existing data mining methods predict protein functionality by exploiting…

Machine Learning · Computer Science 2020-11-20 Kaiyu Shen , Razvan Bunescu , Sarah E. Wyatt

Biological systems can be studied at multiple levels of information, including gene, protein, RNA and different interaction networks levels. The goal of this work is to explore how the fusion of systems' level information with temporal…

Genomics · Quantitative Biology 2023-02-09 Jan Kralj , Blaž Škrlj , Živa Ramšak , Nada Lavrač , Kristina Gruden

Current supervised deep learning frameworks rely on annotated data for modeling the underlying data distribution of a given task. In particular for computer vision algorithms powered by deep learning, the quality of annotated data is the…

Computer Vision and Pattern Recognition · Computer Science 2019-12-24 Joseph Nassar , Viveca Pavon-Harr , Marc Bosch , Ian McCulloh

We propose a model for functional data registration that compares favorably to the best methods of functional data registration currently available. It also extends current inferential capabilities for unregistered data by providing a…

Methodology · Statistics 2016-06-06 Cecilia Earls , Giles Hooker

Automatic generation of medical reports from X-ray images can assist radiologists to perform the time-consuming and yet important reporting task. Yet, achieving clinically accurate generated reports remains challenging. Modeling the…

Computer Vision and Pattern Recognition · Computer Science 2022-07-06 Sixing Yan , William K. Cheung , Keith Chiu , Terence M. Tong , Charles K. Cheung , Simon See

Multi-modality pre-training paradigm that aligns protein sequences and biological descriptions has learned general protein representations and achieved promising performance in various downstream applications. However, these works were…

Machine Learning · Computer Science 2024-12-31 Hanjing Zhou , Mingze Yin , Wei Wu , Mingyang Li , Kun Fu , Jintai Chen , Jian Wu , Zheng Wang

A new method for local and global explanation of the machine learning black-box model predictions by tabular data is proposed. It is implemented as a system called AFEX (Attention-like Feature EXplanation) and consisting of two main parts.…

Machine Learning · Computer Science 2021-08-12 Andrei V. Konstantinov , Lev V. Utkin

Configuration space complexity makes the big-data software systems hard to configure well. Consider Hadoop, with over nine hundred parameters, developers often just use the default configurations provided with Hadoop distributions. The…

Systems and Control · Electrical Eng. & Systems 2020-06-24 Rahul Krishna , Chong Tang , Kevin Sullivan , Baishakhi Ray

The knowledge regarding the function of proteins is necessary as it gives a clear picture of biological processes. Nevertheless, there are many protein sequences found and added to the databases but lacks functional annotation. The…

Quantitative Methods · Quantitative Biology 2018-09-13 Anu Vazhayil , Vinayakumar R , Soman KP

Attention-based deep networks have been successfully applied on textual data in the field of NLP. However, their application on protein sequences poses additional challenges due to the weak semantics of the protein words, unlike the plain…

Machine Learning · Computer Science 2022-08-29 Ashish Ranjan , Md Shah Fahad , Akshay Deepak

Properties of molecules are indicative of their functions and thus are useful in many applications. With the advances of deep learning methods, computational approaches for predicting molecular properties are gaining increasing momentum.…

Quantitative Methods · Quantitative Biology 2021-07-07 Zhengyang Wang , Meng Liu , Youzhi Luo , Zhao Xu , Yaochen Xie , Limei Wang , Lei Cai , Qi Qi , Zhuoning Yuan , Tianbao Yang , Shuiwang Ji

This paper presents methods which are aimed at finding approximations to missing data in a dataset by using optimization algorithms to optimize the network parameters after which prediction and classification tasks can be performed. The…

Neural and Evolutionary Computing · Computer Science 2014-03-24 Collins Leke , Bhekisipho Twala , T. Marwala

Motivation: Protein function prediction is a challenging task and an open problem in computational biology. The Critical Assessment of protein Function Annotation (CAFA) is a triennial, community-driven initiative that provides an…

Quantitative Methods · Quantitative Biology 2026-04-23 An Phan , Yanli Wang , Frimpong Boadu , Maxat Kulmanov , Robert Hoehndorf , Jianlin Cheng , Predrag Radivojac , Iddo Friedberg