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This paper presents a systematic literature review (SLR) on the explainability and interpretability of machine learning (ML) models within the context of predictive process mining, using the PRISMA framework. Given the rapid advancement of…

Machine Learning · Computer Science 2024-01-01 Nijat Mehdiyev , Maxim Majlatow , Peter Fettke

In recent years machine learning (ML) took bio- and cheminformatics fields by storm, providing new solutions for a vast repertoire of problems related to protein sequence, structure, and interactions analysis. ML techniques, deep neural…

Biomolecules · Quantitative Biology 2020-03-31 Marta M. Stepniewska-Dziubinska , Piotr Zielenkiewicz , Pawel Siedlecki

Recent efforts in Machine Learning (ML) interpretability have focused on creating methods for explaining black-box ML models. However, these methods rely on the assumption that simple approximations, such as linear models or decision-trees,…

Machine Learning · Computer Science 2019-06-13 Owen Lahav , Nicholas Mastronarde , Mihaela van der Schaar

Machine learning (ML) is widely used in drug discovery to train models that predict protein-ligand binding. These models are of great value to medicinal chemists, in particular if they provide case-specific insight into the physical…

Biomolecules · Quantitative Biology 2022-04-14 Carl Poelking , Gianni Chessari , Christopher W. Murray , Richard J. Hall , Lucy Colwell , Marcel Verdonk

Computational pathology is part of precision oncology medicine. The integration of high-throughput data including genomics, transcriptomics, proteomics, metabolomics, pathomics, and radiomics into clinical practice improves cancer treatment…

Image and Video Processing · Electrical Eng. & Systems 2022-06-07 Liangrui Pan , Zhichao Feng , Shaoliang Peng

Malware is being increasingly threatening and malware detectors based on traditional signature-based analysis are no longer suitable for current malware detection. Recently, the models based on machine learning (ML) are developed for…

Cryptography and Security · Computer Science 2021-01-18 Yuzhou Lin , Xiaolin Chang

Modern life sciences research is increasingly relying on artificial intelligence approaches to model biological systems, primarily centered around the use of machine learning (ML) models. Although ML is undeniably useful for identifying…

Motivation: Tumor classification using Imaging Mass Spectrometry (IMS) data has a high potential for future applications in pathology. Due to the complexity and size of the data, automated feature extraction and classification steps are…

Machine Learning · Statistics 2018-06-28 Jens Behrmann , Christian Etmann , Tobias Boskamp , Rita Casadonte , Jörg Kriegsmann , Peter Maass

Machine learning (ML)-guided directed evolution is a new paradigm for biological design that enables optimization of complex functions. ML methods use data to predict how sequence maps to function without requiring a detailed model of the…

Biomolecules · Quantitative Biology 2019-04-23 Kevin K. Yang , Zachary Wu , Frances H. Arnold

Multimodal deep learning (MDL) has emerged as a transformative approach in computational pathology. By integrating complementary information from multiple data sources, MDL models have demonstrated superior predictive performance across…

Quantitative Methods · Quantitative Biology 2025-11-17 Seth Alain Chang , Muhammad Mueez Amjad , Noorul Wahab , Ethar Alzaid , Nasir Rajpoot , Adam Shephard

The task of multimodal cancer detection is to determine the locations and categories of lesions by using different imaging techniques, which is one of the key research methods for cancer diagnosis. Recently, deep learning-based object…

Image and Video Processing · Electrical Eng. & Systems 2023-12-06 Yan Tian , Zhaocheng Xu , Yujun Ma , Weiping Ding , Ruili Wang , Zhihong Gao , Guohua Cheng , Linyang He , Xuran Zhao

Numerous phenomenological nuclear models have been proposed to describe specific observables within different regions of the nuclear chart. However, developing a unified model that describes the complex behavior of all nuclei remains an…

Nuclear Theory · Physics 2025-05-14 Jose M. Munoz , Silviu M. Udrescu , Ronald F. Garcia Ruiz

Artificial Intelligence is providing astonishing results, with medicine being one of its favourite playgrounds. In a few decades, computers may be capable of formulating diagnoses and choosing the correct treatment, while robots may perform…

Physics-constrained machine learning (PCML) combines physical models with data-driven approaches to improve reliability, generalizability, and interpretability. Although PCML has shown significant benefits in diverse scientific and…

Machine Learning · Computer Science 2025-08-29 Angan Mukherjee , Victor M. Zavala

Aim: To review how machine learning (ML) is applied to imaging biomarkers in neuro-oncology, in particular for diagnosis, prognosis, and treatment response monitoring. Materials and Methods: The PubMed and MEDLINE databases were searched…

Quantitative Methods · Quantitative Biology 2019-10-17 Thomas Booth , Matthew Williams , Aysha Luis , Jorge Cardoso , Ashkan Keyoumars , Haris Shuaib

Deep neural-network-based language models (LMs) are increasingly applied to large-scale protein sequence data to predict protein function. However, being largely black-box models and thus challenging to interpret, current protein LM…

Quantitative Methods · Quantitative Biology 2024-08-06 Mai Ha Vu , Rahmad Akbar , Philippe A. Robert , Bartlomiej Swiatczak , Victor Greiff , Geir Kjetil Sandve , Dag Trygve Truslew Haug

Artificial Intelligence (AI) and Machine Learning (ML) are weaving their way into the fabric of society, where they are playing a crucial role in numerous facets of our lives. As we witness the increased deployment of AI and ML in various…

Emerging Technologies · Computer Science 2022-12-23 Sasitharan Balasubramaniam , Samitha Somathilaka , Sehee Sun , Adrian Ratwatte , Massimiliano Pierobon

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

The essence of precision oncology lies in its commitment to tailor targeted treatments and care measures to each patient based on the individual characteristics of the tumor. The inherent heterogeneity of tumors necessitates gathering…

Quantitative Methods · Quantitative Biology 2024-07-01 Huajun Zhou , Fengtao Zhou , Chenyu Zhao , Yingxue Xu , Luyang Luo , Hao Chen

This paper explores interpretability techniques for two of the most successful learning algorithms in medical decision-making literature: deep neural networks and random forests. We applied these algorithms in a real-world medical dataset…

Machine Learning · Computer Science 2020-02-24 Catarina Moreira , Renuka Sindhgatta , Chun Ouyang , Peter Bruza , Andreas Wichert