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The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

Scientific publication compresses a branching, iterative research process into a linear narrative, discarding the majority of what was discovered along the way. This compilation imposes two structural costs: a Storytelling Tax, where failed…

Accelerated discovery in materials science demands autonomous systems capable of dynamically formulating and solving design problems. In this work, we introduce a novel framework that leverages Bayesian optimization over a problem…

Systems and Control · Electrical Eng. & Systems 2025-02-11 Danial Khatamsaz , Joseph Wagner , Brent Vela , Raymundo Arroyave , Douglas L. Allaire

In this study, we introduce a novel platform Resource-Aware AutoML (RA-AutoML) which enables flexible and generalized algorithms to build machine learning models subjected to multiple objectives, as well as resource and hard-ware…

Machine Learning · Computer Science 2020-11-03 Yao Yang , Andrew Nam , Mohamad M. Nasr-Azadani , Teresa Tung

Science laboratory automation enables accelerated discovery in life sciences and materials. However, it requires interdisciplinary collaboration to address challenges such as robust and flexible autonomy, reproducibility, throughput,…

Synthesis of thin films has traditionally relied upon slow, sequential processes carried out with substantial human intervention, frequently utilizing a mix of experience and serendipity to optimize material structure and properties. With…

Designing sustainable medical devices requires balancing environmental, economic, and social demands, yet trade-offs across these pillars are difficult to identify using manual assessment alone. Current methods depend heavily on expert…

Physics and Society · Physics 2025-12-16 Apala Chakrabarti

Research waste in biomedical science is driven by redundant studies, incomplete reporting, and the limited scalability of traditional evidence synthesis workflows. We present an AI co-scientist for scalable and transparent knowledge…

Artificial Intelligence · Computer Science 2026-01-21 Arya Rahgozar , Pouria Mortezaagha

Molecules composed of atoms exhibit properties not inherent to their constituent atoms. Similarly, meta-molecules consisting of multiple meta-atoms possess emerging features that the meta-atoms themselves do not possess. Metasurfaces…

Optics · Physics 2019-07-09 Zhaocheng Liu , Dayu Zhu , Kyu-Tae Lee , Andrew S. Kim , Lakshmi Raju , Wenshan Cai

Designing inorganic crystalline materials with tailored properties is critical to technological innovation, yet current generative computational methods often struggle to efficiently explore desired targets with sufficient interpretability.…

Materials Science · Physics 2025-12-29 Izumi Takahara , Teruyasu Mizoguchi , Bang Liu

Artificial intelligence systems are transforming scientific discovery by accelerating specific research tasks, from protein structure prediction to materials design, yet remain confined to narrow domains requiring substantial human…

Artificial Intelligence · Computer Science 2026-01-30 Gabrielle Wehr , Reuben Rideaux , Amaya J. Fox , David R. Lightfoot , Jason Tangen , Jason B. Mattingley , Shane E. Ehrhardt

Artificial intelligence (AI) is reshaping education, scientific training, and materials discovery. In materials science, AI models increasingly support property prediction, experiment prioritization, and hypothesis generation; however, the…

Physics Education · Physics 2026-05-12 Dongming Mei , Katherine Moore , Ben Sayler

High-throughput experimentation enables efficient search space exploration for the discovery and optimization of new materials. However, large search spaces of, e.g., compositionally complex materials, require decreasing characterization…

Materials Science · Physics 2023-07-03 Felix Thelen , Lars Banko , Rico Zehl , Sabrina Baha , Alfred Ludwig

Although many AI applications of interest require specialized multi-modal models, relevant data to train such models is inherently scarce or inaccessible. Filling these gaps with human annotators is prohibitively expensive, error-prone, and…

Artificial Intelligence · Computer Science 2026-04-01 Tim R. Davidson , Benoit Seguin , Enrico Bacis , Cesar Ilharco , Hamza Harkous

The acceleration of materials discovery requires digital platforms that go beyond data repositories to embed learning, optimization, and decision-making directly into research workflows. We introduce DataScribe, an AI-native, cloud-based…

Machine Learning · Computer Science 2026-01-14 Divyanshu Singh , Doguhan Sarıtürk , Cameron Lea , Md Shafiqul Islam , Raymundo Arroyave , Vahid Attari

Numerical simulations have revolutionized the industrial design process by reducing prototyping costs, design iterations, and enabling product engineers to explore the design space more efficiently. However, the growing scale of simulations…

Artificial Intelligence (AI) is redefining the frontiers of scientific domains, ranging from drug discovery to meteorological modeling, yet its integration within industrial manufacturing remains nascent and fraught with operational…

Computational Engineering, Finance, and Science · Computer Science 2025-11-18 Yingjie Shi , Yiru Gong , Yiqun Su , Suya Xiong , Jiale Han , Runtian Miao

The generation of molecules with Artificial Intelligence (AI) is poised to revolutionize materials discovery. Potential applications range from development of potent drugs to efficient carbon capture and separation technologies. However,…

AI-assisted research is crossing a threshold: fully automated systems can now generate research papers for as little as $15, while long-horizon agents can execute experiments, draft manuscripts, and simulate critique with minimal human…

The development of novel materials in recent years has been accelerated greatly by the use of computational modelling techniques aimed at elucidating the complex physics controlling microstructure formation in materials, the properties of…

Materials Science · Physics 2025-11-14 Damien Pinto , Michael Greenwood , Nikolas Provatas