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As AI systems become increasingly powerful, the need for safe AI has become more pressing. Humans are an attractive model for AI safety: as the only known agents capable of general intelligence, they perform robustly even under conditions…

Small to medium-scale data science experiments often rely on research software developed ad-hoc by individual scientists or small teams. Often there is no time to make the research software fast, reusable, and open access. The consequence…

Software Engineering · Computer Science 2022-11-10 Moritz Schubotz , Ankit Satpute , Andre Greiner-Petter , Akiko Aizawa , Bela Gipp

The most pressing problems in science are neither empirical nor theoretical, but infrastructural. Scientific practice is defined by coproductive, mutually reinforcing infrastructural deficits and incentive systems that everywhere constrain…

General Literature · Computer Science 2022-09-16 Jonny L. Saunders

Experimental materials science is experiencing significant growth due to automated experimentation and AI techniques. Integrated autonomous platforms are emerging, combining generative models, robotics, simulations, and automated systems…

Software Engineering · Computer Science 2024-05-31 Amarnath Gupta , Shweta Purawat , Subhasis Dasgupta , Pratyush Karmakar , Elaine Chi , Ilkay Altintas

Computer simulations have become a very powerful tool for scientific research. Given the vast complexity that comes with many open scientific questions, a purely analytical or experimental approach is often not viable. For example,…

Neural and Evolutionary Computing · Computer Science 2016-07-12 Roman Bauer , Lukas Breitwieser , Alberto Di Meglio , Leonard Johard , Marcus Kaiser , Marco Manca , Manuel Mazzara , Max Talanov

The dream of building machines that can do science has inspired scientists for decades. Remarkable advances have been made recently; however, we are still far from achieving this goal. In this paper, we focus on the scientific discovery…

Artificial Intelligence · Computer Science 2022-03-15 Abdullah Khalili , Abdelhamid Bouchachia

Modern scientific discovery increasingly requires coordinating distributed facilities and heterogeneous resources, forcing researchers to act as manual workflow coordinators rather than scientists. Advances in AI leading to AI agents show…

Artificial Intelligence · Computer Science 2025-09-15 Woong Shin , Renan Souza , Daniel Rosendo , Frédéric Suter , Feiyi Wang , Prasanna Balaprakash , Rafael Ferreira da Silva

In computational science and in computer science, research software is a central asset for research. Computational science is the application of computer science and software engineering principles to solving scientific problems, whereas…

Software Engineering · Computer Science 2019-08-19 Wilhelm Hasselbring , Leslie Carr , Simon Hettrick , Heather Packer , Thanassis Tiropanis

The great promise of quantum computers comes with the dual challenges of building them and finding their useful applications. We argue that these two challenges should be considered together, by co-designing full-stack quantum computer…

High Performance Computing (HPC) centers provide advanced infrastructure that enables scientific research at extreme scale. These centers operate with hardware configurations, software environments, and security requirements that differ…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-03 Sean R. Wilkinson , Patrick Widener , Sarp Oral , Rafael Ferreira da Silva

While previous AI Scientist systems can generate novel findings, they often lack the focus to produce scientifically valuable contributions that address pressing human-defined challenges. We introduce DeepScientist, a system designed to…

Computation and Language · Computer Science 2025-10-01 Yixuan Weng , Minjun Zhu , Qiujie Xie , Qiyao Sun , Zhen Lin , Sifan Liu , Yue Zhang

The deep neural nets of modern artificial intelligence (AI) have not achieved defining features of biological intelligence, including abstraction, causal learning, and energy-efficiency. While scaling to larger models has delivered…

Neurons and Cognition · Quantitative Biology 2021-05-24 Joseph D. Monaco , Kanaka Rajan , Grace M. Hwang

Modern computational neuroscience strives to develop complex network models to explain dynamics and function of brains in health and disease. This process goes hand in hand with advancements in the theory of neuronal networks and increasing…

Artificial intelligence has made great strides in the last decade but still falls short of the human brain, the best-known example of intelligence. Not much is known of the neural processes that allow the brain to make the leap to achieve…

Artificial Intelligence · Computer Science 2021-08-13 Ananta Nair

As demand for AI literacy and data science education grows, there is a critical need for infrastructure that bridges the gap between research data, computational resources, and educational experiences. To address this gap, we developed a…

Computers and Society · Computer Science 2025-10-16 Pedro Ramonetti , Melissa Floca , Kate O'Laughlin , Amarnath Gupta , Manish Parashar , Ilkay Altintas

SURF is the collaborative ICT organisation for Dutch education & research and coordinates the national e-infrastructure (surf.nl). To accelerate scientific discovery, SURF invests in, operates and explores high-end IT solutions for and with…

Instrumentation and Methods for Astrophysics · Physics 2020-05-13 J. B. R. Oonk , C. Schrijvers , Y. van den Berg

Scientific fact-checking aims to determine the veracity of scientific claims by retrieving and analysing evidence from research literature. The problem is inherently more complex than general fact-checking since it must accommodate the…

Information Retrieval · Computer Science 2025-08-18 Xingyu Deng , Xi Wang , Mark Stevenson

As the number of cloud platforms supporting scientific research grows, there is an increasing need to support interoperability between two or more cloud platforms, as a growing amount of data is being hosted in cloud-based platforms. A well…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-02-16 Robert L. Grossman , Rebecca R. Boyles , Brandi N. Davis-Dusenbery , Amanda Haddock , Allison P. Heath , Brian D. O'Connor , Adam C. Resnick , Deanne M. Taylor , Stan Ahalt

quest for processing speed potential. In fact, we always get a fraction of the technically available computing power (so-called {\em theoretical peak}), and the gap is likely to go hand-to-hand with the hardware complexity of the target…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-06-23 Claude Tadonki