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Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

The automated generation of layouts is vital for embodied intelligence and autonomous systems, supporting applications from virtual environment construction to home robot deployment. Current approaches, however, suffer from spatial…

Discovering materials with desirable properties in an efficient way remains a significant problem in materials science. Many studies have tackled this problem by using different sets of information available about the materials. Among them,…

Materials Science · Physics 2025-03-04 Onur Boyar , Indra Priyadarsini , Seiji Takeda , Lisa Hamada

Hybrid intelligence aims to enhance decision-making, problem-solving, and overall system performance by combining the strengths of both, human cognitive abilities and artificial intelligence. With the rise of Large Language Models (LLM),…

Artificial Intelligence · Computer Science 2024-07-16 Daniel Geissler , Paul Lukowicz

Accurate ADMET (an abbreviation for "absorption, distribution, metabolism, excretion, and toxicity") predictions can efficiently screen out undesirable drug candidates in the early stage of drug discovery. In recent years, multiple…

Biomolecules · Quantitative Biology 2022-05-25 Shanzhuo Zhang , Zhiyuan Yan , Yueyang Huang , Lihang Liu , Donglong He , Wei Wang , Xiaomin Fang , Xiaonan Zhang , Fan Wang , Hua Wu , Haifeng Wang

Expanding existing learning systems to provide high-quality customized models for more domains, such as new users, is challenged by the limited labeled data and the data and device heterogeneities. While knowledge distillation methods could…

Artificial Intelligence · Computer Science 2025-02-10 Gaole Dai , Huatao Xu , Yifan Yang , Rui Tan , Mo Li

The discovery of novel mechanical metamaterials, whose properties are dominated by their engineered structures rather than chemical composition, is a knowledge-intensive and resource-demanding process. To accelerate the design of novel…

The design of high-entropy alloys (HEA) with desired properties is challenging due to their large compositional space. While various machine learning (ML) models can predict specific HEA solid-solution phases (SS), predicting high-entropy…

Materials Science · Physics 2023-06-27 Jie Qi , Diego Ibarra Hoyos , S. Joseph Poon

The discovery of new structural and functional materials is driven by phase identification, often using X-ray diffraction (XRD). Automation has accelerated the rate of XRD measurements, greatly outpacing XRD analysis techniques that remain…

The rapid growth of e-commerce has placed considerable pressure on customs representatives, prompting advanced methods. In tackling this, Artificial intelligence (AI) systems have emerged as a promising approach to minimize the risks faced.…

Software Engineering · Computer Science 2024-06-10 Otmane Amel , Sedrick Stassin , Sidi Ahmed Mahmoudi , Xavier Siebert

Discovering new materials can have significant scientific and technological implications but remains a challenging problem today due to the enormity of the chemical space. Recent advances in machine learning have enabled data-driven methods…

Materials Science · Physics 2024-06-21 Shuyi Jia , Chao Zhang , Victor Fung

Synthetic Biology is the new engineering-based approach to biology that includes applications of designing complex biological devices. At present, it is not yet clear what will emerge as the defining principles of Synthetic Biology. One…

Quantitative Methods · Quantitative Biology 2011-03-30 A. X. C. N. Valente , Stephen S. Fong

With the rapid advancement of tool-use capabilities in Large Language Models (LLMs), Retrieval-Augmented Generation (RAG) is shifting from static, one-shot retrieval toward autonomous, multi-turn evidence acquisition. However, existing…

Artificial Intelligence · Computer Science 2026-02-13 Zhanli Li , Huiwen Tian , Lvzhou Luo , Yixuan Cao , Ping Luo

Large-scale digitization initiatives have unlocked massive collections of historical newspapers, yet effective computational access remains hindered by OCR corruption, multilingual orthographic variation, and temporal language drift. We…

Digital Libraries · Computer Science 2025-12-16 Anthony Mudet , Souhail Bakkali

During powder production, the pre-alloyed powder composition often deviates from the target composition leading to undesirable properties of additive manufacturing (AM) components. Therefore, we developed a method to perform high-throughput…

Materials Science · Physics 2020-12-23 Xin Wang , Wei Xiong

Active learning selects the most informative samples to exploit limited annotation budgets. Existing work follows a cumbersome pipeline that repeats the time-consuming model training and batch data selection multiple times. In this paper,…

Computer Vision and Pattern Recognition · Computer Science 2022-03-22 Yichen Xie , Masayoshi Tomizuka , Wei Zhan

The transition from optical identification of 2D quantum materials to practical device fabrication requires dynamic reasoning beyond the detection accuracy. While recent domain-specific Multimodal Large Language Models (MLLMs) successfully…

Computer Vision and Pattern Recognition · Computer Science 2026-03-19 Sankalp Pandey , Xuan-Bac Nguyen , Hoang-Quan Nguyen , Tim Faltermeier , Nicholas Borys , Hugh Churchill , Khoa Luu

Retrieval-augmented generation (RAG) has emerged as a pivotal method for expanding the knowledge of large language models. To handle complex queries more effectively, researchers developed Adaptive-RAG (A-RAG) to enhance the generated…

Artificial Intelligence · Computer Science 2025-05-27 Jie Ou , Jinyu Guo , Shuaihong Jiang , Zhaokun Wang , Libo Qin , Shunyu Yao , Wenhong Tian

We propose an automated computational algorithm for simultaneous model selection and parameter identification for the hyperelastic mechanical characterization of human brain tissue. Following the motive of the recently proposed…

Quantitative Methods · Quantitative Biology 2024-04-17 Moritz Flaschel , Huitian Yu , Nina Reiter , Jan Hinrichsen , Silvia Budday , Paul Steinmann , Siddhant Kumar , Laura De Lorenzis

Development of process-structure-property relationships in materials science is an important and challenging frontier which promises improved materials and reduced time and cost in production. Refractory high entropy alloys (RHEAs) are a…

Materials Science · Physics 2023-04-28 Stephen A. Giles , Hugh Shortt , Peter K. Liaw , Debasis Sengupta