相关论文: SEISMO: Increasing Sample Efficiency in Molecular …

By virtue of its great utility in solving real-world problems, optimization modeling has been widely employed for optimal decision-making across various sectors, but it requires substantial expertise from operations research professionals.…

Large Language Models (LLMs) have shown impressive performance as general purpose agents, but their abilities remain highly dependent on prompts which are hand written with onerous trial-and-error effort. We propose a simple and…

The optimal assignment of Large Language Models (LLMs) to specialized roles in multi-agent systems is a significant challenge, defined by a vast combinatorial search space, expensive black-box evaluations, and an inherent trade-off between…

As large language model agents tackle increasingly complex long-horizon tasks, effective post-training becomes critical. Prior work faces fundamental challenges: outcome-only rewards fail to precisely attribute credit to intermediate steps,…

Optimizing Register Transfer Level (RTL) code is crucial for improving the power, performance, and area (PPA) of digital circuits in the early stages of synthesis. Manual rewriting, guided by synthesis feedback, can yield high-quality…

Large language models (LLMs) have demonstrated broad utility across molecular domains, spanning drug discovery and materials design. Analyzing LLMs' latent representations is crucial for elucidating their underlying mechanisms, improving…

Background: The surge in single-cell omics data exposes limitations in traditional, manually defined analysis workflows. AI agents offer a paradigm shift, enabling adaptive planning, executable code generation, traceable decisions, and…

While Large Language Models (LLMs) have demonstrated significant advancements in reasoning and agent-based problem-solving, current evaluation methodologies fail to adequately assess their capabilities: existing benchmarks either rely on…

Sequential planning in large state space and action space quickly becomes intractable due to combinatorial explosion of the search space. Heuristic methods, like monte-carlo tree search, though effective for large state space, but struggle…

Agents powered by advanced large language models (LLMs) have demonstrated impressive capabilities across diverse complex applications. Recently, Multi-Agent Systems (MAS), wherein multiple agents collaborate and communicate with each other,…

Recent advancements in Large Language Models (LLMs) have spurred interest in deploying LLM agents to undertake tasks in the world. LLMs are often deployed in agent systems: code that orchestrates LLM calls and provides them with tools. We…

LLM agents have incredible potential for scientific discovery applications. However, the performance of LLM agents on real-world, small molecule drug design (SMDD) tasks across diverse chemistries and targets is unclear. Current evaluation…

The design of analog circuits is a cornerstone of integrated circuit (IC) development, requiring the optimization of complex, interconnected sub-structures such as amplifiers, comparators, and buffers. Traditionally, this process relies…

Molecular optimization is a crucial yet complex and time-intensive process that often acts as a bottleneck for drug development. Traditional methods rely heavily on trial and error, making multi-objective optimization both time-consuming…

Prompt engineering plays a critical role in adapting large language models (LLMs) to complex reasoning and labeling tasks without the need for extensive fine-tuning. In this paper, we propose a novel prompt optimization pipeline for frame…

Large Language Models can generate synthetic survey responses at low cost, but their accuracy varies unpredictably across questions. We study the design problem of allocating a fixed budget of human respondents across estimation tasks when…

Recent advances in large language models (LLMs) have greatly improved their reasoning and decision-making abilities when deployed as agents. Richer reasoning, however, often comes at the cost of longer chain of thought (CoT), hampering…

Query Optimization (QO) has become essential for enhancing Large Language Model (LLM) effectiveness, particularly in Retrieval-Augmented Generation (RAG) systems where query quality directly determines retrieval and response performance.…

State space models (SSMs) have recently achieved strong performance on long sequence modeling tasks while offering improved memory and computational efficiency compared to transformer based architectures. However, their evaluation has been…

Large language model (LLM) agents are increasingly used to assist with operations research (OR) modeling, yet existing OR-oriented benchmarks often reduce evaluation to one-shot translation from a self-contained problem statement into a…