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Related papers: PriM: Principle-Inspired Material Discovery throug…

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Topic modeling seeks to uncover latent semantic structure in text, with LDA providing a foundational probabilistic framework. While recent methods often incorporate external knowledge (e.g., pre-trained embeddings), such reliance limits…

Machine Learning · Computer Science 2026-04-01 Tal Ishon , Yoav Goldberg , Uri Shaham

Multi-Agent Systems (MAS) built on Large Language Models (LLMs) often exhibit high variance in their reasoning trajectories. Process verification, which evaluates intermediate steps in trajectories, has shown promise in general reasoning…

Artificial Intelligence · Computer Science 2026-02-04 Vishal Venkataramani , Haizhou Shi , Zixuan Ke , Austin Xu , Xiaoxiao He , Yingbo Zhou , Semih Yavuz , Hao Wang , Shafiq Joty

Artificial intelligence is transforming computational materials science, improving the prediction of material properties, and accelerating the discovery of novel materials. Recently, publicly available material data repositories have grown…

Large Language Model (LLM)-based scientific agents have accelerated scientific discovery, yet they often suffer from significant inefficiencies due to adherence to fixed initial priors. Existing approaches predominantly operate within a…

Machine Learning · Computer Science 2026-02-09 Yingming Pu , Tao Lin , Hongyu Chen

As the ecosystem of Large Language Model (LLM)-based agents expands rapidly, efficient and accurate Agent Discovery becomes a critical bottleneck for large-scale multi-agent collaboration. Existing approaches typically face a dichotomy:…

Artificial Intelligence · Computer Science 2026-05-07 Jinliang Xu

Robotic imitation learning typically requires models that capture multimodal action distributions while operating at real-time control rates and accommodating multiple sensing modalities. Although recent generative approaches such as…

Robotics · Computer Science 2026-02-03 Amisha Bhaskar , Pratap Tokekar , Stefano Di Cairano , Alexander Schperberg

Drug discovery remains a formidable challenge: more than 90 percent of candidate molecules fail in clinical evaluation, and development costs often exceed one billion dollars per approved therapy. Disparate data streams, from genomics and…

Artificial Intelligence · Computer Science 2025-04-28 Kevin Song , Andrew Trotter , Jake Y. Chen

Conventional machine learning approaches accelerate inorganic materials design via accurate property prediction and targeted material generation, yet they operate as single-shot models limited by the latent knowledge baked into their…

Materials Science · Physics 2025-08-06 Alireza Ghafarollahi , Markus J. Buehler

E-commerce search systems rely on modeling user behavior to estimate item relevance and user preference, which are typically assumed to be stable and independently learnable signals. However, in practice, user interactions are jointly…

Information Retrieval · Computer Science 2026-05-11 Haoqian Zhang , Ziyuan Yang , Yi Zhang

The integration of Large Language Models (LLMs) into explainable recommendation systems often leads to a performance-efficiency trade-off in end-to-end architectures, where joint optimization of ranking and explanation can result in…

Information Retrieval · Computer Science 2025-12-09 Jiaheng Zhang , Daqiang Zhang

Autonomous materials research systems allow scientists to fail smarter, learn faster, and spend less resources in their studies. As these systems grow in number, capability, and complexity, a new challenge arises - how will they work…

Multiagent Systems · Computer Science 2023-03-21 A. Gilad Kusne , Austin McDannald

Agent based modelling (ABM) is a computational approach to modelling complex systems by specifying the behaviour of autonomous decision-making components or agents in the system and allowing the system dynamics to emerge from their…

Artificial Intelligence · Computer Science 2023-05-22 Leo Ardon , Jared Vann , Deepeka Garg , Tom Spooner , Sumitra Ganesh

Large Language Models (LLMs) have demonstrated remarkable capabilities in various reasoning and generation tasks. However, their proficiency in complex causal reasoning, discovery, and estimation remains an area of active development, often…

Artificial Intelligence · Computer Science 2025-09-03 Adib Bazgir , Amir Habibdoust , Yuwen Zhang , Xing Song

We present PRINCIPLE-BASED PROMPTING, a simple but effective multi-agent prompting strategy for text classification. It first asks multiple LLM agents to independently generate candidate principles based on analysis of demonstration samples…

Computation and Language · Computer Science 2025-02-12 Peipei Wei , Dimitris Dimitriadis , Yan Xu , Mingwei Shen

In this paper, we propose Precision-Informed Semantic Modeling (PRISM), a structured topic modeling framework combining the benefits of rich representations captured by LLMs with the low cost and interpretability of latent semantic…

Machine Learning · Computer Science 2026-04-06 Connor Douglas , Utkucan Balci , Joseph Aylett-Bullock

Multi-agent LLM systems introduce a security risk in which sensitive information accessed by one agent can propagate through shared context and reappear in downstream outputs, even without explicit adversarial intent. We formalise this…

Artificial Intelligence · Computer Science 2026-05-12 Riya Tapwal , Abhishek Kumar , Carsten Maple

Multi-agent path finding (MAPF) is an essential component of many large-scale, real-world robot deployments, from aerial swarms to warehouse automation. However, despite the community's continued efforts, most state-of-the-art MAPF planners…

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

Language-driven grasp detection has the potential to revolutionize human-robot interaction by allowing robots to understand and execute grasping tasks based on natural language commands. However, existing approaches face two key challenges.…

Robotics · Computer Science 2025-07-22 Quang Nguyen , Tri Le , Huy Nguyen , Thieu Vo , Tung D. Ta , Baoru Huang , Minh N. Vu , Anh Nguyen

Reliable artificial-intelligence models have the potential to accelerate the discovery of materials with optimal properties for various applications, including superconductivity, catalysis, and thermoelectricity. Advancements in this field…

Materials Science · Physics 2023-06-07 Thomas A. R. Purcell , Matthias Scheffler , Luca M. Ghiringhelli , Christian Carbogno