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AgentCAT: An LLM Agent for Extracting and Analyzing Catalytic Reaction Data from Chemical Engineering Literature

By: Wei Yang Β· Zihao Liu Β· Tao Tan Β· Xiao Hu Β· Hong Xie Β· Lulu Li Xin Li Β· Jianyu Han Β· Defu Lian Β· Mao Ye
24 February 2026 at 13:00
arXiv:2602.18479v1 Announce Type: cross Abstract: This paper presents a large language model (LLM) agent named AgentCAT, which extracts and analyzes catalytic reaction data from chemical engineering papers, %and supports natural language based interactive analysis of the extracted data. AgentCAT serves as an alternative to overcome the long-standing data bottleneck in chemical engineering field, and its natural language based interactive data analysis functionality is friendly to the community. AgentCAT also presents a formal abstraction and challenge analysis of the catalytic reaction data extraction task in an artificial intelligence-friendly manner. This abstraction would help the artificial intelligence community understand this problem and in turn would attract more attention to address it. Technically, the complex catalytic process leads to complicated dependency structure in catalytic reaction data with respect to elementary reaction steps, molecular behaviors, measurement evidence, etc. This dependency structure makes it challenging to guarantee the correctness and completeness of data extraction, as well as representing them for analysis. AgentCAT addresses this challenge and it makes four folds of technical contributions: (1) a schema-governed extraction pipeline with progressive schema evolution, enabling robust data extraction from chemical engineering papers; (2) a dependency-aware reaction-network knowledge graph that links catalysts/active sites, synthesis-derived descriptors, mechanistic claims with evidence, and macroscopic outcomes, preserving process coupling and traceability; (3) a general querying module that supports natural-language exploration and visualization over the constructed graph for cross-paper analysis; (4) an evaluation on $\sim$800 peer-reviewed chemical engineering publications demonstrating the effectiveness of AgentCAT.

How Do LLMs Encode Scientific Quality? An Empirical Study Using Monosemantic Features from Sparse Autoencoders

arXiv:2602.19115v1 Announce Type: cross Abstract: In recent years, there has been a growing use of generative AI, and large language models (LLMs) in particular, to support both the assessment and generation of scientific work. Although some studies have shown that LLMs can, to a certain extent, evaluate research according to perceived quality, our understanding of the internal mechanisms that enable this capability remains limited. This paper presents the first study that investigates how LLMs encode the concept of scientific quality through relevant monosemantic features extracted using sparse autoencoders. We derive such features under different experimental settings and assess their ability to serve as predictors across three tasks related to research quality: predicting citation count, journal SJR, and journal h-index. The results indicate that LLMs encode features associated with multiple dimensions of scientific quality. In particular, we identify four recurring types of features that capture key aspects of how research quality is represented: 1) features reflecting research methodologies; 2) features related to publication type, with literature reviews typically exhibiting higher impact; 3) features associated with high-impact research fields and technologies; and 4) features corresponding to specific scientific jargons. These findings represent an important step toward understanding how LLMs encapsulate concepts related to research quality.

Iconographic Classification and Content-Based Recommendation for Digitized Artworks

arXiv:2602.19698v1 Announce Type: cross Abstract: We present a proof-of-concept system that automates iconographic classification and content-based recommendation of digitized artworks using the Iconclass vocabulary and selected artificial intelligence methods. The prototype implements a four-stage workflow for classification and recommendation, which integrates YOLOv8 object detection with algorithmic mappings to Iconclass codes, rule-based inference for abstract meanings, and three complementary recommenders (hierarchical proximity, IDF-weighted overlap, and Jaccard similarity). Although more engineering is still needed, the evaluation demonstrates the potential of this solution: Iconclass-aware computer vision and recommendation methods can accelerate cataloging and enhance navigation in large heritage repositories. The key insight is to let computer vision propose visible elements and to use symbolic structures (Iconclass hierarchy) to reach meaning.
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