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Large Language Models (LLMs) with strong abilities in natural language processing tasks have emerged and have been applied in various kinds of areas such as science, finance and software engineering. However, the capability of LLMs to advance the field of chemistry remains unclear. In this paper, rather than pursuing state-of-the-art performance, we aim to evaluate capabilities of LLMs in a wide range of tasks across the chemistry domain. We identify three key chemistryrelated capabilities including understanding, reasoning and explaining to explore in LLMs and establish a benchmark containing eight chemistry tasks. Our analysis draws on widely recognized datasets facilitating a broad exploration of the capacities of LLMs within the context of practical chemistry. Five LLMs (GPT-4, GPT-3.5, Davinci-003, Llama and Galactica) are evaluated for each chemistry task in zero-shot and few-shot in-context learning settings with carefully selected demonstration examples and specially crafted prompts. Our investigation found that GPT-4 outperformed other models and LLMs exhibit different competitive levels in eight chemistry tasks. In addition to the key findings from the comprehensive benchmark analysis, our work provides insights into the limitation of current LLMs and the impact of in-context learning settings on LLMs’ performance across various chemistry tasks. The code and datasets used in this study are available at https://github.com/ChemFoundationModels/ChemLLMBench.
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PROC2PDDL: Open-Domain Planning Representations from Texts
Planning in a text-based environment continues to be a significant challenge for AI systems. Recent approaches have utilized language models to predict planning domain definitions (e.g., PDDL) but have only been evaluated in closed-domain simulated environments. To address this, we present Proc2PDDL, the first dataset containing open-domain procedural texts paired with expert-annotated PDDL representations. Using this dataset, we evaluate the task of predicting domain actions (parameters, preconditions, and effects). We experiment with various large language models (LLMs) and prompting mechanisms, including a novel instruction inspired by the zone of proximal development (ZPD), which reconstructs the task as incremental basic skills. Our results demonstrate that Proc2PDDL is highly challenging for end-to-end LLMs, with GPT-3.5’s success rate close to 0% and GPT-4o’s 38%. With ZPD instructions, GPT-4o’s success rate increases to 45%, outperforming regular chain-of-thought prompting’s 34%. Our analysis systematically examines both syntactic and semantic errors, providing insights into the strengths and weaknesses of language models in generating domain-specific programs.
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- Award ID(s):
- 1928474
- PAR ID:
- 10563508
- Publisher / Repository:
- Association for Computational Linguistics
- Date Published:
- Page Range / eLocation ID:
- 13 to 24
- Subject(s) / Keyword(s):
- LLMs planning PDDL
- Format(s):
- Medium: X
- Location:
- Bangkok, Thailand
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Conference Paper:
- https://doi.org/10.18653/v1/2024.nlrse-1.2
