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Machine learning (ML) is increasingly adopted in scientific research, yet the quality and reliability of results often depend on how experiments are designed and documented. Poor baselines, inconsistent preprocessing, or insufficient…

Machine Learning · Computer Science 2025-12-01 Umberto Michelucci , Francesca Venturini

The use of machine learning (ML) methods for prediction and forecasting has become widespread across the quantitative sciences. However, there are many known methodological pitfalls, including data leakage, in ML-based science. In this…

Machine Learning · Computer Science 2022-07-15 Sayash Kapoor , Arvind Narayanan

Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

Computational Physics · Physics 2019-03-12 Bhavya Kailkhura , Brian Gallagher , Sookyung Kim , Anna Hiszpanski , T. Yong-Jin Han

Many research fields are currently reckoning with issues of poor levels of reproducibility. Some label it a "crisis", and research employing or building Machine Learning (ML) models is no exception. Issues including lack of transparency,…

Software Engineering · Computer Science 2025-02-27 Harald Semmelrock , Tony Ross-Hellauer , Simone Kopeinik , Dieter Theiler , Armin Haberl , Stefan Thalmann , Dominik Kowald

Transparency around limitations can improve the scientific rigor of research, help ensure appropriate interpretation of research findings, and make research claims more credible. Despite these benefits, the machine learning (ML) research…

Machine Learning · Computer Science 2022-05-18 Jessie J. Smith , Saleema Amershi , Solon Barocas , Hanna Wallach , Jennifer Wortman Vaughan

Machine learning is expected to fuel significant improvements in medical care. To ensure that fundamental principles such as beneficence, respect for human autonomy, prevention of harm, justice, privacy, and transparency are respected,…

Autonomous research systems capable of generating complete scientific manuscripts have advanced rapidly, yet robust and realistic evaluation frameworks have failed to keep pace. To bridge this gap, we introduce MLReplicate, an end-to-end…

Machine Learning · Computer Science 2026-05-19 Sasi Kiran Gaddipati , Diyana Muhammed , Farhana Keya , Gollam Rabby , Sören Auer

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

Reproducibility is a cornerstone of scientific research, enabling independent verification and validation of empirical findings. The topic gained prominence in fields such as psychology and medicine, where concerns about non - replicable…

Machine Learning · Computer Science 2025-08-05 Adil Mukhtar , Michael Hadwiger , Franz Wotawa , Gerald Schweiger

Machine learning (ML) is used increasingly in real-world applications. In this paper, we describe our ongoing endeavor to define characteristics and challenges unique to Requirements Engineering (RE) for ML-based systems. As a first step,…

Machine Learning · Computer Science 2019-08-14 Andreas Vogelsang , Markus Borg

Research is facing a reproducibility crisis, in which the results and findings of many studies are difficult or even impossible to reproduce. This is also the case in machine learning (ML) and artificial intelligence (AI) research. Often,…

Machine Learning · Computer Science 2023-07-21 Harald Semmelrock , Simone Kopeinik , Dieter Theiler , Tony Ross-Hellauer , Dominik Kowald

To ensure the fairness and trustworthiness of machine learning (ML) systems, recent legislative initiatives and relevant research in the ML community have pointed out the need to document the data used to train ML models. Besides,…

Machine Learning · Computer Science 2024-12-18 Joan Giner-Miguelez , Abel Gómez , Jordi Cabot

The growing need for trustworthy machine learning has led to the blossom of interpretability research. Numerous explanation methods have been developed to serve this purpose. However, these methods are deficiently and inappropriately…

Machine Learning · Computer Science 2022-03-29 Yipei Wang , Xiaoqian Wang

Scientific machine learning (SciML) models are transforming many scientific disciplines. However, the development of good modeling practices to increase the trustworthiness of SciML has lagged behind its application, limiting its potential…

Machine Learning · Computer Science 2025-04-29 John D. Jakeman , Lorena A. Barba , Joaquim R. R. A. Martins , Thomas O'Leary-Roseberry

Collectively, machine learning (ML) researchers are engaged in the creation and dissemination of knowledge about data-driven algorithms. In a given paper, researchers might aspire to any subset of the following goals, among others: to…

Machine Learning · Statistics 2018-07-27 Zachary C. Lipton , Jacob Steinhardt

Machine learning (ML) has become a commodity in our every-day lives. We routinely ask ML empowered smartphones to suggest lovely food places or to guide us through a strange place. ML methods have also become standard tools in many fields…

Machine Learning · Computer Science 2022-02-01 Alexander Jung

Machine learning (ML) is poised to drive innovations in clinical microbiomics, such as in disease diagnostics and prognostics. However, the successful implementation of ML in these domains necessitates the development of reproducible,…

Genomics · Quantitative Biology 2024-12-02 Natasha K. Dudek , Mariam Chakhvadze , Saba Kobakhidze , Omar Kantidze , Yuriy Gankin

Machine learning (ML), artificial intelligence (AI) and other modern statistical methods are providing new opportunities to operationalize previously untapped and rapidly growing sources of data for patient benefit. Whilst there is a lot of…

The influence of machine learning (ML) is quickly spreading, and a number of recent technological innovations have applied ML as a central technology. However, ML development still requires a substantial amount of human expertise to be…

Machine Learning · Computer Science 2021-05-04 Simon Enni , Ira Assent

Context: Conducting experiments is central to research machine learning research to benchmark, evaluate and compare learning algorithms. Consequently it is important we conduct reliable, trustworthy experiments. Objective: We investigate…

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