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Lead optimization in drug discovery requires improving therapeutic properties while ensuring that molecular modifications correspond to feasible synthetic routes. Existing approaches either prioritize property scores without enforcing…
Sensemaking report writing often requires multiple refinements in the iterative process. While Large Language Models (LLMs) have shown promise in generating initial reports based on human visual workspace representations, they struggle to…
In recent years, instruction fine-tuning (IFT) on large language models (LLMs) has garnered considerable attention to enhance model performance on unseen tasks. Attempts have been made on automatic construction and effective selection for…
Despite their impressive capabilities, large language models (LLMs) often face challenges such as temporal misalignment and generating hallucinatory content. Enhancing LLMs with retrieval mechanisms to fetch relevant information from…
Mastering a skill generally relies on both hands-on experience from doers and insightful, high-level guidance by mentors. Will this strategy also work well for solving complex non-convex optimization problems? Here, a common gradient-based…
Large Language Models (LLMs) have demonstrated remarkable capabilities in reasoning and tool use. However, the fundamental cognitive faculties essential for problem solving, including perception, reasoning, and memory, remain the stable…
Large Language Models (LLMs) have shown remarkable capabilities in general natural language processing tasks but often fall short in complex reasoning tasks. Recent studies have explored human-like problem-solving strategies, such as…
Large Language Models (LLMs) excel in traditional natural language processing tasks but struggle with problems that require complex domain-specific calculations or simulations. While equipping LLMs with external tools to build LLM-based…
Large Language Model (LLM) agents are commonly tuned with supervised finetuning on ReAct-style expert trajectories or preference optimization over pairwise rollouts. Most of these methods focus on imitating specific expert behaviors or…
Test-Time Scaling (TTS) improves large language models (LLMs) by allocating additional computation during inference, typically through parallel, sequential, or hybrid scaling. However, prior studies often assume fixed collaboration…
Language and embodied perspective taking are essential for human collaboration, yet few computational models address both simultaneously. This work investigates the PerspAct system [1], which integrates the ReAct (Reason and Act) paradigm…
Rapidly evolving cyberattacks demand incident response systems that can autonomously learn and adapt to changing threats. Prior work has extensively explored the reinforcement learning approach, which involves learning response strategies…
Large language models (LLMs) have recently emerged as promising tools for solving challenging robotic tasks, even in the presence of action and observation uncertainties. Recent LLM-based decision-making methods (also referred to as…
Large Language Models (LLMs) have demonstrated remarkable capabilities for reinforcement learning (RL) models, such as planning and reasoning capabilities. However, the problems of LLMs and RL model collaboration still need to be solved. In…
Open-ended short-answer questions (SAGs) have been widely recognized as a powerful tool for providing deeper insights into learners' responses in the context of learning analytics (LA). However, SAGs often present challenges in practice due…
Large Language Model (LLM)-based web agents excel at knowledge-intensive tasks but face a fundamental conflict between the need for extensive exploration and the constraints of limited context windows. Current solutions typically rely on…
Recent advances have shown that optimizing prompts for Large Language Models (LLMs) can significantly improve task performance, yet many optimization techniques rely on heuristics or manual exploration. We present LatentPrompt, a…
We have seen remarkable progress in large language models (LLMs) empowered multi-agent systems solving complex tasks necessitating cooperation among experts with diverse skills. However, optimizing LLM-based multi-agent systems remains…
Current large language model (LLM) applications often employ multi-component prompts, comprising both system and user prompts, to guide model behaviors. While recent advancements have demonstrated the efficacy of automatically optimizing…
Large Language Models (LLMs) have achieved remarkable capabilities, yet their improvement methods remain fundamentally constrained by human design. We present Self-Developing, a framework that enables LLMs to autonomously discover,…