This content will become publicly available on March 17, 2027

Title: Expert evaluation of LLM world models: A high-T c superconductivity case study
Large Language Models (LLMs) show great promise as a powerful tool for scientific literature exploration. However, their effectiveness in providing scientifically accurate and comprehensive answers to complex questions within specialized domains remains an active area of research. Using the field of high-temperature cuprates as an exemplar, we evaluate the ability of LLM systems to understand the literature at the level of an expert. We construct an expert-curated database of 1,726 scientific papers that covers the history of the field, and a set of 67 expert-formulated questions that probe deep understanding of the literature. We then evaluate six different LLM-based systems for answering these questions, including both commercially available closed models and a custom retrieval-augmented generation (RAG) system capable of retrieving images alongside text. Experts then evaluate the answers of these systems against a rubric that assesses balanced perspectives, factual comprehensiveness, succinctness, and evidentiary support. Among the six systems, two using RAG on curated literature outperformed existing closed models across key metrics, particularly in providing comprehensive and well-supported answers. We discuss promising aspects of LLM performances as well as critical short-comings of all the models. The set of expert-formulated questions and the rubric will be valuable for assessing expert level performance of LLM based reasoning systems.  more » « less
Award ID(s):
2433348 2245246
PAR ID:
10679839
Author(s) / Creator(s):
; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; more » ; ; ; « less
Publisher / Repository:
National Academy of Sciences
Date Published:
Journal Name:
Proceedings of the National Academy of Sciences
Volume:
123
Issue:
11
ISSN:
0027-8424
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. how we deploy and operate Open Radio Access Networks (O-RAN) by enhancing network analytics, anomaly detection, and code generation and significantly increasing the efficiency and reliability of a plethora of O-RAN tasks. In this paper, we present ORAN-Bench-13K, the first comprehensive benchmark designed to evaluate the performance of Large Language Models (LLMs) within the context of O-RAN. Our benchmark consists of 13,952 meticulously curated multiple-choice questions generated from 116 O-RAN specification documents. We leverage a novel three-stage LLM framework, and the questions are categorized into three distinct difficulties to cover a wide spectrum of ORAN-related knowledge. We thoroughly evaluate the performance of several state-of-the-art LLMs, including Gemini, Chat-GPT, and Mistral. Additionally, we propose ORANSight, a Retrieval-Augmented Generation (RAG)-based pipeline that demonstrates superior performance on ORAN-Bench-13K compared to other tested closed-source models. Our findings indicate that current popular LLM models are not proficient in O-RAN, highlighting the need for specialized models. We observed a noticeable performance improvement when incorporating the RAG-based ORANSight pipeline, with a Macro Accuracy of 0.784 and a Weighted Accuracy of 0.776, which was on average 21.55% and 22.59% better than the other tested LLMs. 
    more » « less
  2. Retrieval-augmented generation (RAG) has emerged as a powerful framework for enhancing large language models (LLMs) with external knowledge, particularly in scientific domains that demand specialized and dynamic information. Despite its promise, the application of RAG in the chemistry domain remains underexplored, primarily due to the lack of high-quality, domain-specific corpora and well-curated evaluation benchmarks. In this work, we introduce ChemRAG-Bench, a comprehensive benchmark designed to systematically assess the effectiveness of RAG across a diverse set of chemistry-related tasks. The accompanying chemistry corpus integrates heterogeneous knowledge sources, including scientific literature, the PubChem database, PubMed abstracts, textbooks, and Wikipedia entries. In addition, we present ChemRAG-Toolkit, a modular and extensible RAG toolkit that supports five retrieval algorithms and eight LLMs. Using ChemRAG-Toolkit, we demonstrate that RAG yields a substantial performance gain—achieving an average relative improvement of 17.4% over direct inference methods. We further conduct in-depth analyses on retriever architectures, corpus selection, and the number of retrieved passages, culminating in practical recommendations to guide future research and deployment of RAG systems in the chemistry domain. 
    more » « less
  3. The lack of high-quality ground truth datasets to train machine learning (ML) models impedes the potential of artificial intelligence for science (AI for science) to accelerate research. It is infeasible to manually review all relevant scientific publications and extract information from unstructured text to construct ground truth datasets. Scientific information extraction (SIE) from the literature using LLMs is emerging as a powerful approach to automate the creation of these datasets. However, existing LLM-based approaches and benchmarking studies for SIE focus on broad topics such as biomedicine and chemistry. These methods are limited to choice-based SIE tasks where the LLM is instructed to select the correct answer from several options provided in the prompt. Moreover, these tasks focus on extracting information from short and well-formatted text such as a sentence or an abstract. The potential of SIE methods in complex, open-ended tasks is considerably under-explored. In this study, we used a domain that has been virtually ignored in SIE, namely virology, to address these research gaps. We first designed a unique, open-ended SIE task of extracting mutations in a given virus that modify its interaction with the host. Next, we developed a new, multi-step retrieval augmented generation (RAG) framework called VILLA for SIE. In parallel, we curated a novel dataset of 629 mutations in ten influenza A virus proteins obtained from 463 scientific publications to serve as ground truth for our mutation extraction task. Finally, we demonstrated VILLA’s superior performance using a novel and comprehensive evaluation and comparison with vanilla RAG and other state-of-the art RAG- and agent-based tools involving both open and closed LLMs for SIE. 
    more » « less
  4. Current question answering (QA) systems primarily consider the single-answer scenario, where each question is assumed to be paired with one correct answer. However, in many real-world QA applications, multiple answer scenarios arise where consolidating answers into a comprehensive and non-redundant set of answers is a more efficient user interface. In this paper, we formulate the problem of answer consolidation, where answers are partitioned into multiple groups, each representing different aspects of the answer set. Then, given this partitioning, a comprehensive and non-redundant set of answers can be constructed by picking one answer from each group. To initiate research on answer consolidation, we construct a dataset consisting of 4,699 questions and 24,006 sentences and evaluate multiple models. Despite a promising performance achieved by the best-performing supervised models, we still believe this task has room for further improvements. 
    more » « less
  5. Vision language models can now generate long-form answers to questions about images -- long-form visual question answers (LFVQA). We contribute VizWiz-LF, a dataset of long-form answers to visual questions posed by blind and low vision (BLV) users. VizWiz-LF contains 4.2k long-form answers to 600 visual questions, collected from human expert describers and six VQA models. We develop and annotate functional roles of sentences of LFVQA and demonstrate that long-form answers contain information beyond the question answer such as explanations and suggestions. We further conduct automatic and human evaluations with BLV and sighted people to evaluate long-form answers. BLV people perceive both human-written and generated long-form answers to be plausible, but generated answers often hallucinate incorrect visual details, especially for unanswerable visual questions (e.g., blurry or irrelevant images). To reduce hallucinations, we evaluate the ability of VQA models to abstain from answering unanswerable questions across multiple prompting strategies. 
    more » « less