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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…
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…
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),…
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…
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…
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…
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…
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…
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…
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,…
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…
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.…
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…
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…
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…
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…
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…