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Advances in deep learning have opened an era of abundant and accurate predicted protein structures; however, similar progress in protein ensembles has remained elusive. This review highlights several recent research directions towards…

Biomolecules · Quantitative Biology 2025-09-23 Bowen Jing , Bonnie Berger , Tommi Jaakkola

Deep learning models are favored in many research and industry areas and have reached the accuracy of approximating or even surpassing human level. However they've long been considered by researchers as black-box models for their…

Machine Learning · Computer Science 2020-10-16 Xiaojian Wang , Jingyuan Wang , Ke Tang

The increasing popularity of deep learning models has created new opportunities for developing AI-based recommender systems. Designing recommender systems using deep neural networks requires careful architecture design, and further…

Information Retrieval · Computer Science 2024-11-13 Tunhou Zhang , Dehua Cheng , Yuchen He , Zhengxing Chen , Xiaoliang Dai , Liang Xiong , Yudong Liu , Feng Cheng , Yufan Cao , Feng Yan , Hai Li , Yiran Chen , Wei Wen

The implementation of robust, stable, and user-centered data analytics and machine learning models is confronted by numerous challenges in production and manufacturing. Therefore, a systematic approach is required to develop, evaluate, and…

Software Engineering · Computer Science 2020-08-03 Shailesh Tripathi , David Muhr , Brunner Manuel , Frank Emmert-Streib , Herbert Jodlbauer , Matthias Dehmer

This paper describes a generalizable model evaluation method that can be adapted to evaluate AI/ML models across multiple criteria including core scientific principles and more practical outcomes. Emerging from prediction competitions in…

Machine Learning · Computer Science 2024-03-19 Jason L. Harman , Jaelle Scheuerman

In this paper, a likelihood based evidence acquisition approach is proposed to acquire evidence from experts'assessments as recorded in historical datasets. Then a data-driven evidential reasoning rule based model is introduced to R&D…

Digital Libraries · Computer Science 2018-11-21 Fang Liu , Yu-wang Chen , Jian-bo Yang , Dong-ling Xu , Wei-shu Liu

Over the years, Software Quality Engineering has increased interest, demonstrated by significant research papers published in this area. Determining when a software artifact is qualitatively valid is tricky, given the impossibility of…

Software Engineering · Computer Science 2024-01-31 Francesco Basciani , Daniele Di Pompeo , Juri Di Rocco , Alfonso Pierantonio

Empirical and LLM-based research in model-driven engineering increasingly relies on datasets of software models, for instance, to train or evaluate machine learning techniques for modeling support. These datasets have a significant impact…

Software Engineering · Computer Science 2026-03-06 Philipp-Lorenz Glaser , Lola Burgueño , Dominik Bork

Artificial Intelligence is increasingly pervasive across domains, with ever more complex models delivering impressive predictive performance. This fast technological advancement however comes at a concerning environmental cost, with…

Computers and Society · Computer Science 2025-09-25 Emilio Cruciani , Roberto Verdecchia

Increasingly, artificial intelligence (AI) and machine learning (ML) are used in eScience applications [9]. While these approaches have great potential, the literature has shown that ML-based approaches frequently suffer from results that…

Machine Learning · Computer Science 2024-07-03 Zhiwei Li , Carl Kesselman , Mike D'Arch , Michael Pazzani , Benjamin Yizing Xu

The expanding role of Artificial Intelligence (AI) in diverse engineering domains highlights the challenges associated with deploying AI models in new operational environments, involving substantial investments in data collection and model…

Artificial Intelligence · Computer Science 2024-05-14 Daryl Mupupuni , Anupama Guntu , Liang Hong , Kamrul Hasan , Leehyun Keel

Predictive modelling is important for health data analysis and data-driven clinical decision-making. However, predictive studies are challenging to design optimally by hand when tens or even hundreds of features require selection,…

This paper surveys foundation models for AI-enabled biological design, focusing on recent developments in applying large-scale, self-supervised models to tasks such as protein engineering, small molecule design, and genomic sequence design.…

Artificial Intelligence · Computer Science 2025-05-20 Asher Moldwin , Amarda Shehu

Over the past decades, cognitive neuroscientists and behavioral economists have recognized the value of describing the process of decision making in detail and modeling the emergence of decisions over time. For example, the time it takes to…

Neurons and Cognition · Quantitative Biology 2025-07-24 Mrugsen Nagsen Gopnarayan , Jaan Aru , Sebastian Gluth

Artificial intelligence (AI) holds great promise for supporting clinical trials, from patient recruitment and endpoint assessment to treatment response prediction. However, deploying AI without safeguards poses significant risks,…

Machine Learning · Computer Science 2025-10-09 Yao Chen , David Ohlssen , Aimee Readie , Gregory Ligozio , Ruvie Martin , Thibaud Coroller

Developing and fielding complex systems requires proof that they are reliably correct with respect to their design and operating requirements. Especially for autonomous systems which exhibit unanticipated emergent behavior, fully…

Software Engineering · Computer Science 2024-02-28 Matthew Litton , Doron Drusinsky , James Bret Michael

Regulatory frameworks for the use of AI are emerging. However, they trail behind the fast-evolving malicious AI technologies that can quickly cause lasting societal damage. In response, we introduce a pioneering Assistive AI framework…

The rapid development of machine learning (ML) and artificial intelligence (AI) applications requires the training of large numbers of models. This growing demand highlights the importance of training models without human supervision, while…

Machine Learning · Computer Science 2025-05-26 Alexey Boldyrev , Fedor Ratnikov , Andrey Shevelev

MRI-based medical imaging has become indispensable in modern clinical diagnosis, particularly for brain tumor detection. However, the rapid growth in data volume poses challenges for conventional diagnostic approaches. Although deep…

Computer Vision and Pattern Recognition · Computer Science 2026-03-31 Hayder Saad Abdulbaqi , Mohammed Hadi Rahim , Mohammed Hassan Hadi , Haider Ali Aboud , Ali Hussein Allawi

We present the Multiple Criteria Decision Analysis Methods Selection Software (MCDA-MSS). This decision support system helps analysts answering a recurring question in decision science: Which is the most suitable Multiple Criteria Decision…

Artificial Intelligence · Computer Science 2021-06-15 Marco Cinelli , Miłosz Kadziński , Grzegorz Miebs , Michael Gonzalez , Roman Słowiński