Enhancing Spectral Knowledge Interrogation: A Reliable Retrieval-Augmented Generative Framework on Large Language Models

Large Language Model (LLM) has demonstrated significant success in a range of natural language processing (NLP) tasks within general domain. The emergence of LLM has introduced innovative methodologies across diverse fields, including the natural sciences. Researchers aim to implement automated, concurrent process driven by LLM to supplant conventional manual, repetitive and labor-intensive work. In the domain of spectral analysis and detection, it is imperative for researchers to autonomously acquire pertinent knowledge across various research objects, which encompasses the spectroscopic techniques and the chemometric methods that are employed in experiments and analysis. Paradoxically, despite the recognition of spectroscopic detection as an effective analytical method, the fundamental process of knowledge retrieval remains both time-intensive and repetitive. In response to this challenge, we first introduced the Spectral Detection and Analysis Based Paper(SDAAP) dataset, which is the first open-source textual knowledge dataset for spectral analysis and detection and contains annotated literature data as well as corresponding knowledge instruction data. Subsequently, we also designed an automated Q&A framework based on the SDAAP dataset, which can retrieve relevant knowledge and generate high-quality responses by extracting entities in the input as retrieval parameters. It is worth noting that: within this framework, LLM is only used as a tool to provide generalizability, while RAG technique is used to accurately capture the source of the knowledge.This approach not only improves the quality of the generated responses, but also ensures the traceability of the knowledge. Experimental results show that our framework generates responses with more reliable expertise compared to the baseline.