English
Related papers

Related papers: Beyond Structure: Revolutionising Materials Discov…

200 papers

Materials discovery is fundamental to advance next-generation technologies as well as for sustainable and circular economy. Beyond computational screening, generative models are efficient at finding materials with desired properties, via…

Machine learning (ML) reproducibility is often framed as a problem of incomplete artifact recording. This framing leads to systems that prioritize capturing datasets, code, configurations, and execution environments. However, in…

Human-Computer Interaction · Computer Science 2026-04-13 Zhiwei Li , Carl Kesselman

The emergence of deep learning has brought the long-standing goal of comprehensively understanding and exploring crystalline materials closer to reality. Yet, universal exploration across all elements remains hindered by the combinatorial…

Materials Science · Physics 2025-11-18 Fengyu Xie , Ruoyu Wang , Taoyuze Lv , Yuxiang Gao , Hongyu Wu , Zhicheng Zhong

Artificial intelligence (AI) is rapidly emerging as an enabling tool for solving various complex materials design problems. This paper aims to review recent advances in AI-driven materials-by-design and their applications to energetic…

Materials Science · Physics 2023-05-12 Joseph B. Choi , Phong C. H. Nguyen , Oishik Sen , H. S. Udaykumar , Stephen Baek

The convergence of artificial intelligence (AI) and synthetic biology is rapidly accelerating the pace of biological discovery and engineering. AI techniques, such as large language models and biological design tools, are enabling the…

Other Quantitative Biology · Quantitative Biology 2024-05-01 Cindy Vindman , Benjamin Trump , Christopher Cummings , Madison Smith , Alexander J. Titus , Ken Oye , Valentina Prado , Eyup Turmus , Igor Linkov

Successful materials innovations can transform society. However, materials research often involves long timelines and low success probabilities, dissuading investors who have expectations of shorter times from bench to business. A…

As artificial intelligence (AI) becomes increasingly embedded in the core functions of social, political, and economic life, it catalyzes structural transformations with far-reaching societal implications. This paper advances the concept of…

Computers and Society · Computer Science 2025-05-19 Kyle A Kilian

Advances in artificial intelligence (AI) promise autonomous discovery, yet most systems still resurface knowledge latent in their training data. We present Sparks, a multi-modal multi-agent AI model that executes the entire discovery cycle…

Artificial Intelligence · Computer Science 2025-04-29 Alireza Ghafarollahi , Markus J. Buehler

Artificial intelligence (AI) is reshaping inverse design in manufacturing, enabling high-performance discovery in materials, products, and processes. However, purely data-driven approaches often struggle in realistic manufacturing settings…

Artificial Intelligence · Computer Science 2025-08-26 Hugon Lee , Hyeonbin Moon , Junhyeong Lee , Seunghwa RYu

Artificial Intelligence (AI) tools for automating design artifact generation are increasingly used in Requirements Engineering (RE) to transform textual requirements into structured diagrams and models. While these AI tools, particularly…

Software Engineering · Computer Science 2025-07-15 Syed Tauhid Ullah Shah , Mohammad Hussein , Ann Barcomb , Mohammad Moshirpour

Atomic-level modeling performed at large scales enables the investigation of mesoscale materials properties with atom-by-atom resolution. The spatial complexity of such cross-scale simulations renders them unsuitable for simple human visual…

Materials Science · Physics 2022-04-05 Heejung Chung , Rodrigo Freitas , Gowoon Cheon , Evan J. Reed

Solutions relying on artificial intelligence are devised to predict data patterns and answer questions that are clearly defined, involve an enumerable set of solutions, clear rules, and inherently binary decision mechanisms. Yet, as they…

Computers and Society · Computer Science 2020-10-30 Niya Stoimenova , Rebecca Price

Recent research advances in Artificial Intelligence (AI) have yielded promising results for automated software vulnerability management. AI-based models are reported to greatly outperform traditional static analysis tools, indicating a…

Cryptography and Security · Computer Science 2024-05-07 Shengye Wan , Joshua Saxe , Craig Gomes , Sahana Chennabasappa , Avilash Rath , Kun Sun , Xinda Wang

Touch plays a central role in how humans perceive and recognize materials through physical contact. Despite decades of research, the mechanisms by which tactile signals are transformed into meaningful perceptual representations remain…

Human-Computer Interaction · Computer Science 2026-05-19 Yasemin Vardar

Rule-based systems remain central in safety-critical domains but often struggle with scalability, brittleness, and goal misspecification. These limitations can lead to reward hacking and failures in formal verification, as AI systems tend…

Logic in Computer Science · Computer Science 2026-05-12 Zainab Rehan , Christian Medeiros Adriano , Sona Ghahremani , Holger Giese

A core task in process mining is process discovery which aims to learn an accurate process model from event log data. In this paper, we propose to use (block-) structured programs directly as target process models so as to establish…

Artificial Intelligence · Computer Science 2020-08-14 Dell Zhang , Alexander Kuhnle , Julian Richardson , Murat Sensoy

Computational models have emerged as powerful tools for multi-scale energy modeling research at the building and urban scale, supporting data-driven analysis across building and urban energy systems. However, these models require large…

Artificial Intelligence · Computer Science 2026-04-09 Jackson Eshbaugh , Chetan Tiwari , Jorge Silveyra

Designing novel materials that possess desired properties is a central need across many manufacturing industries. Driven by that industrial need, a variety of algorithms and tools have been developed that combine AI (machine learning and…

Computational Engineering, Finance, and Science · Computer Science 2020-01-27 Seiji Takeda , Toshiyuki Hama , Hsiang-Han Hsu , Toshiyuki Yamane , Koji Masuda , Victoria A. Piunova , Dmitry Zubarev , Jed Pitera , Daniel P. Sanders , Daiju Nakano

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
‹ Prev 1 3 4 5 6 7 10 Next ›