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Machine learning (ML) applications become increasingly common in many domains. ML systems to execute these workloads include numerical computing frameworks and libraries, ML algorithm libraries, and specialized systems for deep neural…

As machine learning (ML) systems increasingly permeate high-stakes settings such as healthcare, transportation, military, and national security, concerns regarding their reliability have emerged. Despite notable progress, the performance of…

Machine Learning · Computer Science 2023-08-01 Anthony Corso , David Karamadian , Romeo Valentin , Mary Cooper , Mykel J. Kochenderfer

Machine learning (ML) has emerged as a powerful tool for accelerating the computational design and production of materials. In materials science, ML has primarily supported large-scale discovery of novel compounds using first-principles…

Continual Learning (CL) is a field dedicated to devise algorithms able to achieve lifelong learning. Overcoming the knowledge disruption of previously acquired concepts, a drawback affecting deep learning models and that goes by the name of…

Computer Vision and Pattern Recognition · Computer Science 2023-01-04 Francesco Pelosin

Advances in sequencing techniques have led to exponential growth in biological data, demanding the development of large-scale bioinformatics experiments. Because these experiments are computation- and data-intensive, they require…

The rapid adoption of open source machine learning (ML) datasets and models exposes today's AI applications to critical risks like data poisoning and supply chain attacks across the ML lifecycle. With growing regulatory pressure to address…

Cryptography and Security · Computer Science 2025-05-16 Marcin Spoczynski , Marcela S. Melara , Sebastian Szyller

Machine Learning (ML) seems to be one of the most promising solution to automate partially or completely some of the complex tasks currently realized by humans, such as driving vehicles, recognizing voice, etc. It is also an opportunity to…

Data scientists often develop machine learning models to solve a variety of problems in the industry and academy but not without facing several challenges in terms of Model Development. The problems regarding Machine Learning Development…

Software Engineering · Computer Science 2021-02-16 Giuliano Lorenzoni , Paulo Alencar , Nathalia Nascimento , Donald Cowan

Whole-system data provenance provides deep insight into the processing of data on a system, including detecting data integrity attacks. The downside to systems that collect whole-system data provenance is the sheer volume of data that is…

Databases · Computer Science 2016-08-15 Thomas Moyer , Vijay Gadepally

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

While Machine Learning (ML) technologies are widely adopted in many mission critical fields to support intelligent decision-making, concerns remain about system resilience against ML-specific security attacks and privacy breaches as well as…

Machine Learning · Computer Science 2022-02-15 Pulei Xiong , Scott Buffett , Shahrear Iqbal , Philippe Lamontagne , Mohammad Mamun , Heather Molyneaux

Traditional design cycles for new materials and assemblies have two fundamental drawbacks. The underlying physical relationships are often too complex to be precisely calculated and described. Aside from that, many unknown uncertainties,…

Meta-learning, or learning to learn, is a machine learning approach that utilizes prior learning experiences to expedite the learning process on unseen tasks. As a data-driven approach, meta-learning requires meta-features that represent…

Machine Learning · Computer Science 2021-01-12 Hadi S. Jomaa , Lars Schmidt-Thieme , Josif Grabocka

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

Requirements engineering (RE) activities for machine learning (ML) are not well-established and researched in the literature. Many issues and challenges exist when specifying, designing, and developing ML-enabled systems. Adding more focus…

Software Engineering · Computer Science 2022-06-27 Hugo Villamizar , Marcos Kalinowski , Helio lopes

Multimodal large language models increasingly solve vision-centric tasks by calling external tools for visual inspection, OCR, retrieval, calculation, and multi-step reasoning. Current tool-using agents usually expose the executed tool…

Computation and Language · Computer Science 2026-05-12 Bihui Yu , Caijun Jia , Jing Chi , Xiaohan Liu , Yining Wang , He Bai , Yuchen Liu , Jingxuan Wei , Junnan Zhu

Machine learning (ML) has revolutionized medical prognostics by integrating advanced algorithms with clinical data to enhance disease prediction, risk assessment, and patient outcome forecasting. This comprehensive review critically…

Machine Learning · Computer Science 2024-08-06 Michael Fascia

Provenance is information about the origin, derivation, ownership, or history of an object. It has recently been studied extensively in scientific databases and other settings due to its importance in helping scientists judge data validity,…

Programming Languages · Computer Science 2008-12-03 James Cheney , Umut Acar , Amal Ahmed

Molecular dynamics (MD) has become a powerful tool for studying biophysical systems, due to increasing computational power and availability of software. Although MD has made many contributions to better understanding these complex…

Computational Physics · Physics 2019-09-27 Yihang Wang , Joao Marcelo Lamim Ribeiro , Pratyush Tiwary

Molecular Dynamics (MD) simulation is widely used to analyze the properties of molecules and materials. Most practical applications, such as comparison with experimental measurements, designing drug molecules, or optimizing materials, rely…

Chemical Physics · Physics 2018-12-20 Frank Noé