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Development of machine learning (ML) applications is hard. Producing successful applications requires, among others, being deeply familiar with a variety of complex and quickly evolving application programming interfaces (APIs). It is…

Software Engineering · Computer Science 2022-03-30 Lars Reimann , Günter Kniesel-Wünsche

Molecular machine learning has been maturing rapidly over the last few years. Improved methods and the presence of larger datasets have enabled machine learning algorithms to make increasingly accurate predictions about molecular…

By virtue of its great utility in solving real-world problems, optimization modeling has been widely employed for optimal decision-making across various sectors, but it requires substantial expertise from operations research professionals.…

Scientific machine learning (SciML) is a field of increasing interest in several different application fields. In an optimization context, SciML-based tools have enabled the development of more efficient optimization methods. However,…

Artificial intelligence agents are increasingly capable of performing complex tasks across various domains. As these agents advance, there is a growing need to accurately measure and benchmark their capabilities, particularly in…

Artificial Intelligence · Computer Science 2024-10-31 Matthew Kenney

Existing benchmarks for evaluating mathematical reasoning in large language models (LLMs) rely primarily on competition problems, formal proofs, or artificially challenging questions -- failing to capture the nature of mathematics…

Artificial Intelligence · Computer Science 2025-10-21 Jie Zhang , Cezara Petrui , Kristina Nikolić , Florian Tramèr

Scientific computing applications have benefited greatly from high performance computing infrastructure such as supercomputers. However, we are seeing a paradigm shift in the computational structure, design, and requirements of these…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-11-15 Prateek Sharma , Vikram Jadhao

Advances in machine learning (ML) in recent years have enabled a dizzying array of applications such as data analytics, autonomous systems, and security diagnostics. ML is now pervasive---new systems and models are being deployed in every…

Cryptography and Security · Computer Science 2016-11-14 Nicolas Papernot , Patrick McDaniel , Arunesh Sinha , Michael Wellman

Climate change has increased the intensity, frequency, and duration of extreme weather events and natural disasters across the world. While the increased data on natural disasters improves the scope of machine learning (ML) in this field,…

Machine Learning · Computer Science 2022-12-22 Adiba Mahbub Proma , Md Saiful Islam , Stela Ciko , Raiyan Abdul Baten , Ehsan Hoque

Scientific machine learning (SciML) has emerged as a versatile approach to address complex computational science and engineering problems. Within this field, physics-informed neural networks (PINNs) and deep operator networks (DeepONets)…

Machine Learning · Computer Science 2024-01-31 Joel Hayford , Jacob Goldman-Wetzler , Eric Wang , Lu Lu

There is a growing consensus that solutions to complex science and engineering problems require novel methodologies that are able to integrate traditional physics-based modeling approaches with state-of-the-art machine learning (ML)…

Computational Physics · Physics 2022-03-15 Jared Willard , Xiaowei Jia , Shaoming Xu , Michael Steinbach , Vipin Kumar

Advanced control, operation, and planning tools of electrical networks with ML are not straightforward. 110 experts were surveyed to show where and how ML algorithms could advance. This paper assesses this survey and research environment.…

Systems and Control · Electrical Eng. & Systems 2024-08-12 Jochen L. Cremer , Adrian Kelly , Ricardo J. Bessa , Milos Subasic , Panagiotis N. Papadopoulos , Samuel Young , Amar Sagar , Antoine Marot

Over the past 40 years, the discovery and development of therapeutic antibodies to treat disease has become common practice. However, as therapeutic antibody constructs are becoming more sophisticated (e.g., multi-specifics), conventional…

Biomolecules · Quantitative Biology 2023-12-19 Leonard Wossnig , Norbert Furtmann , Andrew Buchanan , Sandeep Kumar , Victor Greiff

IR drop constraint is a fundamental requirement enforced in almost all chip designs. However, its evaluation takes a long time, and mitigation techniques for fixing violations may require numerous iterations. As such, fast and accurate IR…

Machine Learning · Computer Science 2020-11-30 Zhiyao Xie , Hai Li , Xiaoqing Xu , Jiang Hu , Yiran Chen

Simulating physical systems is a core component of scientific computing, encompassing a wide range of physical domains and applications. Recently, there has been a surge in data-driven methods to complement traditional numerical simulations…

Machine Learning · Computer Science 2021-08-19 Karl Otness , Arvi Gjoka , Joan Bruna , Daniele Panozzo , Benjamin Peherstorfer , Teseo Schneider , Denis Zorin

An exponential growth in computing power, which has brought more sophisticated and higher resolution simulations of the climate system, and an exponential increase in observations since the first weather satellite was put in orbit, are…

Atmospheric and Oceanic Physics · Physics 2024-08-20 Annalisa Bracco , Julien Brajard , Henk A. Dijkstra , Pedram Hassanzadeh , Christian Lessig , Claire Monteleoni

Emerging edge computing platforms often contain machine learning (ML) accelerators that can accelerate inference for a wide range of neural network (NN) models. These models are designed to fit within the limited area and energy constraints…

Hardware Architecture · Computer Science 2021-09-30 Amirali Boroumand , Saugata Ghose , Berkin Akin , Ravi Narayanaswami , Geraldo F. Oliveira , Xiaoyu Ma , Eric Shiu , Onur Mutlu

Machine learning (ML) has emerged as a pervasive tool in science, engineering, and beyond. Its success has also led to several synergies with molecular dynamics (MD) simulations, which we use to identify and characterize the major…

Biomolecules · Quantitative Biology 2022-05-09 Christopher Kolloff , Simon Olsson

In this paper a high speed neural network classifier based on extreme learning machines for multi-label classification problem is proposed and dis-cussed. Multi-label classification is a superset of traditional binary and multi-class…

Machine Learning · Computer Science 2016-09-06 Meng Joo Er , Rajasekar Venkatesan , Ning Wang