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Related papers: ChemOrch: Empowering LLMs with Chemical Intelligen…

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Discovering novel catalysts requires complex reasoning involving multiple chemical properties and resultant trade-offs, leading to a combinatorial growth in the search space. While large language models (LLM) have demonstrated novel…

Artificial Intelligence · Computer Science 2023-11-07 Henry W. Sprueill , Carl Edwards , Mariefel V. Olarte , Udishnu Sanyal , Heng Ji , Sutanay Choudhury

Large Language Models demonstrate substantial promise for advancing scientific discovery, yet their deployment in disciplines demanding factual precision and specialized domain constraints presents significant challenges. Within molecular…

Machine Learning · Computer Science 2026-02-23 Malikussaid , Hilal Hudan Nuha , Isman Kurniawan

There has been limited success for dense retrieval models in multilingual retrieval, due to uneven and scarce training data available across multiple languages. Synthetic training data generation is promising (e.g., InPars or Promptagator),…

Information Retrieval · Computer Science 2024-04-17 Nandan Thakur , Jianmo Ni , Gustavo Hernández Ábrego , John Wieting , Jimmy Lin , Daniel Cer

The nuclear industry possesses a wealth of valuable information locked away in unstructured text data. This data, however, is not readily usable for advanced Large Language Model (LLM) applications that require clean, structured…

Computation and Language · Computer Science 2025-06-11 Muhammad Anwar , Daniel Lau , Mishca de Costa , Issam Hammad

Although large language models (LLMs) have achieved excellent performance in a variety of evaluation benchmarks, they still struggle in complex reasoning tasks which require specific knowledge and multi-hop reasoning. To improve the…

Computation and Language · Computer Science 2023-11-07 Zhipeng Chen , Kun Zhou , Beichen Zhang , Zheng Gong , Wayne Xin Zhao , Ji-Rong Wen

The advent of Large Language Models (LLMs) has provided unprecedented capabilities for analyzing unstructured text data. However, deploying these models as reliable, robust, and scalable classifiers in production environments presents…

Computation and Language · Computer Science 2025-08-25 Doohee You , Andy Parisi , Zach Vander Velden , Lara Dantas Inojosa

Large language models (LLMs) have become a strong foundation for multi-agent systems, but their effectiveness depends heavily on orchestration design. Across different tasks, role design, capacity assignment, and dependency construction…

Artificial Intelligence · Computer Science 2026-05-15 Xudong Chen , Yixin Liu , Hua Wei , Kaize Ding

Solving computer-aided synthesis planning is essential for enabling fully automated, robot-assisted synthesis workflows and improving the efficiency of drug discovery. A key challenge, however, is bridging the gap between computational…

In mathematical reasoning tasks, the advancement of Large Language Models (LLMs) relies heavily on high-quality training data with clearly defined and well-graded difficulty levels. However, existing data synthesis methods often suffer from…

Machine Learning · Computer Science 2026-01-27 Xuchen Li , Jing Chen , Xuzhao Li , Hao Liang , Xiaohuan Zhou , Taifeng Wang , Wentao Zhang

Knowledge Components (KCs) linked to assessments enhance the measurement of student learning, enrich analytics, and facilitate adaptivity. However, generating and linking KCs to assessment items requires significant effort and…

Artificial Intelligence · Computer Science 2024-06-03 Steven Moore , Robin Schmucker , Tom Mitchell , John Stamper

Large language models (LLMs) have shown promise in complex reasoning and tool-based decision making, motivating their application to real-world supply chain management. However, supply chain workflows require reliable long-horizon,…

Artificial Intelligence · Computer Science 2026-05-14 Shengyue Guan , Yihao Liu , Lang Cao

This survey reviews how large language models (LLMs) are transforming synthetic training data generation in both natural language and code domains. By producing artificial but task-relevant examples, these models can significantly augment…

Computation and Language · Computer Science 2025-11-21 Mihai Nadas , Laura Diosan , Andreea Tomescu

Retrosynthesis planning, essential in organic synthesis and drug discovery, has greatly benefited from recent AI-driven advancements. Nevertheless, existing methods frequently face limitations in both applicability and explainability.…

Computational Engineering, Finance, and Science · Computer Science 2025-07-24 Situo Zhang , Hanqi Li , Lu Chen , Zihan Zhao , Xuanze Lin , Zichen Zhu , Bo Chen , Xin Chen , Kai Yu

While large language models (LLMs) have demonstrated remarkable versatility across a wide range of general tasks, their effectiveness often diminishes in domain-specific applications due to inherent knowledge gaps. Moreover, their…

Artificial Intelligence · Computer Science 2025-11-21 Hanzhi Yan , Qin Lu , Xianqiao Wang , Xiaoming Zhai , Tianming Liu , He Li

Large Language Models (LLMs) offer a promising solution to complement traditional teaching and address global teacher shortages that affect hundreds of millions of children, but they fail to provide grade-appropriate responses for students…

Computers and Society · Computer Science 2026-03-09 Jio Oh , Steven Euijong Whang , James Evans , Jindong Wang

High-Level Synthesis (HLS) improves IC development productivity by enabling hardware design from C-like languages. However, strict coding constraints and design-specific optimizations limit its widespread adoption. While recent efforts…

Hardware Architecture · Computer Science 2026-04-22 Runkai Li , Jia Xiong , Xiuyuan He , Jieru Zhao , Jiaqi Lv , Haowen Fang , Lei Qi , Xi Wang

We present MeshLLM, a novel framework that leverages large language models (LLMs) to understand and generate text-serialized 3D meshes. Our approach addresses key limitations in existing methods, including the limited dataset scale when…

Recent advances such as OpenAI-o1 and DeepSeek R1 have demonstrated the potential of Reinforcement Learning (RL) to enhance reasoning abilities in Large Language Models (LLMs). While open-source replication efforts have primarily focused on…

Large Language Models (LLMs) have shown remarkable promise in reasoning and decision-making, yet their integration with Reinforcement Learning (RL) for complex robotic tasks remains underexplored. In this paper, we propose an LLM-guided…

Machine Learning · Computer Science 2025-03-26 Chak Lam Shek , Pratap Tokekar

The integration of large language models (LLMs) into supply chain management (SCM) is revolutionizing the industry by improving decision-making, predictive analytics, and operational efficiency. This white paper explores the transformative…

Computers and Society · Computer Science 2025-01-28 Raha Aghaei , Ali A. Kiaei , Mahnaz Boush , Javad Vahidi , Zeynab Barzegar , Mahan Rofoosheh
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