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Algorithmic problem solving serves as a rigorous testbed for evaluating structured reasoning in AI coding systems, as it directly reflects a model's ability to perform structured reasoning in complex scenarios. Existing approaches…

Artificial Intelligence · Computer Science 2026-05-11 Yuliang Xu , Xiang Xu , Yao Wan , Hu Wei , Tong Jia

Creating and understanding art has long been a hallmark of human ability. When presented with finished digital artwork, professional graphic artists can intuitively deconstruct and replicate it using various drawing tools, such as the line…

Computer Vision and Pattern Recognition · Computer Science 2024-10-22 Qi Bing , Chaoyi Zhang , Weidong Cai

Developing machine learning interatomic potentials (MLIPs) for complex materials systems remains challenging because it requires expertise in atomistic simulations, machine learning, and workflow design, as well as iterative active learning…

Machine Learning · Computer Science 2026-05-15 Wenwen Li , Yuki Orimo , Nontawat Charoenphakdee

Computational materials discovery relies on the generation of plausible crystal structures. The plausibility is typically judged through density functional theory methods which, while typically accurate at zero Kelvin, often favor…

Computational Engineering, Finance, and Science · Computer Science 2025-11-04 Thorben Prein , Willis O'Leary , Aikaterini Flessa Savvidou , Elchaïma Bourneix , Joonatan E. M. Laulainen

The design of intelligent materials often draws parallels with the complex adaptive behaviors of biological organisms, where robust functionality stems from sophisticated hierarchical organization and emergent long-distance coordination…

Soft Condensed Matter · Physics 2025-11-13 Vladimir A. Baulin , Rudolf M. Füchslin , Achille Giacometti , Helmut Hauser , Marco Werner

Business documents often contain substantial tabular and textual information with numerical values, requiring mathematical reasoning for effective document understanding. While Small Language Models (SLMs) still struggle at this task,…

Machine Learning · Computer Science 2025-08-22 Vishnou Vinayagame , Gregory Senay , Luis Martí

Innovation in synthetic biology often still depends on large-scale experimental trial-and-error, domain expertise, and ingenuity. The application of rational design engineering methods promise to make this more efficient, faster, cheaper…

Molecular Networks · Quantitative Biology 2021-08-18 Robyn P. Araujo , Sean T. Vittadello , Michael P. H. Stumpf

In earlier work, we introduced flexible inference and decision-theoretic metareasoning to address the intractability of normative inference. Here, rather than pursuing the task of computing beliefs and actions with decision models composed…

Artificial Intelligence · Computer Science 2013-02-21 Eric J. Horvitz , Adrian Klein

Many embedded devices operate under resource constraints and in dynamic environments, requiring local decision-making capabilities. Enabling devices to make independent decisions in such environments can improve the responsiveness of the…

Robotics · Computer Science 2026-01-08 Negar Halakou , Juan F. Gutierrez , Ye Sun , Han Jiang , Xueming Wu , Yilun Song , Andres Gomez

Materials synthesis procedures are predominantly documented as narrative text in protocols and lab notebooks, rendering them inaccessible to conventional structured data optimization. This language-native nature poses a critical challenge…

Databases · Computer Science 2026-01-22 Yuze Liu , Zhaoyuan Zhang , Xiangsheng Zeng , Yihe Zhang , Leping Yu , Liu Yang , Lejia Wang , Xi Yu

Translational medicine turns underspecified development goals into evidence synthesis that must combine literature, trials, patents, and quantitative multi-omics analysis while preserving identifiers, uncertainty, and retrievable…

For agentic systems to use external tools to solve complex, long-horizon tasks, we need a large set of diverse and controllable tool-use environments. We introduce SynthTools, a fully LLM-based pipeline spanning the entire lifecycle:…

Artificial Intelligence · Computer Science 2026-05-28 Tommaso Castellani , Naimeng Ye , Daksh Mittal , Thomson Yen , Emmanouil Koukoumidis , William Zeng , Hongseok Namkoong

MatNexus is a specialized software for the automated collection, processing, and analysis of text from scientific articles. Through an integrated suite of modules, the MatNexus facilitates the retrieval of scientific articles, processes…

Materials Science · Physics 2024-03-21 Lei Zhang , Markus Stricker

Efficient synthesis recipes are needed both to streamline the manufacturing of complex materials and to accelerate the realization of theoretically predicted materials. Oftentimes the solid-state synthesis of multicomponent oxides is…

Materials Science · Physics 2024-04-10 Jiadong Chen , Samuel R. Cross , Lincoln J. Miara , Jeong-Ju Cho , Yan Wang , Wenhao Sun

Topology optimization can generate efficient structures, but designers often must manually translate qualitative intent, such as desired visual style, product experience, or manufacturability into solver settings that are not directly tied…

Artificial Intelligence · Computer Science 2026-05-22 Isabella A. Stewart , Hongrui Chen , Faez Ahmed

Harnessing the rich nonlinear dynamics of highly-deformable materials has the potential to unlock the next generation of functional smart materials and devices. However, unlocking such potential requires effective strategies to spatially…

Machine learning models have recently emerged to predict whether hypothetical solid-state materials can be synthesized. These models aim to circumvent direct first-principles modeling of solid-state phase transformations, instead learning…

Materials Science · Physics 2026-02-05 Jane Schlesinger , Simon Hjaltason , Nathan J. Szymanski , Christopher J. Bartel

This paper presents a methodological framework for training, self-optimising, and self-organising surrogate models to approximate and speed up multiobjective optimisation of technical systems based on multiphysics simulations. At the hand…

Machine Learning · Computer Science 2024-04-04 Diego Botache , Jens Decke , Winfried Ripken , Abhinay Dornipati , Franz Götz-Hahn , Mohamed Ayeb , Bernhard Sick

The discovery of high-performance materials is crucial for technological advancement. Inverse design using multi-agent systems (MAS) shows great potential for new material discovery. However, current MAS for materials research rely on…

Materials Science · Physics 2025-09-19 Xinrui Wang , Chengbo Li , Boxuan Zhang , Jiahui Shi , Nian Ran , Linjing Li , Jianjun Liu , Dajun Zeng

Metamaterials, renowned for their exceptional mechanical, electromagnetic, and thermal properties, hold transformative potential across diverse applications, yet their design remains constrained by labor-intensive trial-and-error methods…