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Prompt engineering, particularly Chain-of-Thought (CoT) prompting, significantly enhances LLM reasoning capabilities. We introduce "Sculpting," a constrained, rule-based prompting method designed to improve upon standard CoT by reducing…
Recent advancements in large language models (LLMs) underscore the need for stronger reasoning capabilities to solve complex problems effectively. While Chain-of-Thought (CoT) reasoning has been a step forward, it remains insufficient for…
Molecular property optimization is central to drug discovery, yet many deep learning methods rely on black-box scoring and offer limited control over scaffold preservation, often producing unstable or biologically implausible edits. While…
Tree search-based methods have made significant progress in enhancing the code generation capabilities of large language models. However, due to the difficulty in effectively evaluating intermediate algorithmic steps and the inability to…
Large Language Models (LLMs) have significantly advanced tool-augmented agents, enabling autonomous reasoning via API interactions. However, executing multi-step tasks within massive tool libraries remains challenging due to two critical…
Large language models (LLMs) can be used as accessible and intelligent chatbots by constructing natural language queries and directly inputting the prompt into the large language model. However, different prompt' constructions often lead to…
Supervised fine-tuning (SFT) of large language models (LLMs) for specialized tasks requires high-quality datasets, but manual curation is prohibitively expensive. Synthetic data generation offers scalability, but its effectiveness relies on…
Large language models (LLMs) have demonstrated unprecedented capability in reasoning with natural language. Coupled with this development is the emergence of embodied AI in robotics. Despite showing promise for verbal and written reasoning…
Large language models (LLMs) solve complex problems by generating multi-step reasoning traces. Yet these traces are typically analyzed from only one of two perspectives: the sequence of tokens across different reasoning steps in the…
Real-world decision-making tasks typically occur in complex and open environments, posing significant challenges to reinforcement learning (RL) agents' exploration efficiency and long-horizon planning capabilities. A promising approach is…
Recent advances have witnessed the effectiveness of reinforcement learning (RL) finetuning in enhancing the reasoning capabilities of large language models (LLMs). The optimization process often requires numerous iterations to achieve…
Large Language Models (LLMs) equipped with external tools have demonstrated enhanced performance on complex reasoning tasks. The widespread adoption of this tool-augmented reasoning is hindered by the scarcity of domain-specific tools. For…
We present a new Monte Carlo Tree Search (MCTS) algorithm to solve the stochastic orienteering problem with chance constraints, i.e., a version of the problem where travel costs are random, and one is assigned a bound on the tolerable…
Structured reasoning can improve the inference performance of large language models (LLMs), but it also introduces computational cost and control constraints. When additional reasoning structure helps, and when it instead reduces efficiency…
Model-based reinforcement learning (RL) methods that leverage search are responsible for many milestone breakthroughs in RL. Sequential Monte Carlo (SMC) recently emerged as an alternative to the Monte Carlo Tree Search (MCTS) algorithm…
Mathematical optimization is fundamental to decision-making across diverse domains, from operations research to healthcare. Yet, translating real-world problems into optimization models remains a difficult task, often demanding specialized…
Research on LLM technologies is rapidly emerging, with most of them employ a 'fast thinking' approach to inference. Most LLMs generate the final result based solely on a single query and LLM's reasoning capabilities. However, with the…
Monte Carlo Tree Search (MCTS) algorithms perform simulation-based search to improve policies online. During search, the simulation policy is adapted to explore the most promising lines of play. MCTS has been used by state-of-the-art…
Efficient sampling from constraint manifolds, and thereby generating a diverse set of solutions for feasibility problems, is a fundamental challenge. We consider the case where a problem is factored, that is, the underlying nonlinear…
To lower the expertise barrier in machine learning, the AutoML community has focused on the CASH problem, which jointly automates algorithm selection and hyperparameter tuning. While traditional methods like Bayesian Optimization (BO)…