Shaghayegh Sadeghi

Shaghayegh Sadeghi, Khashayar Khajavi, Rise Adhikari et al.

Misalignment between claims and their cited evidence is a common failure mode in reports generated by large language models, limiting their reliability in scientific and other high-stakes settings. We present DeepSciVerify, a two-stage pipeline for scientific claim-citation verification that combines abstract-level reasoning with selective escalation to passage-level evidence. The system first verifies claims using the abstract and defers uncertain cases, retrieving and analyzing full-text passages only when necessary. This design leverages complementary behaviors across LLMs, as some models are more conservative while others are more decisive under uncertainty. On the SCitance benchmark, DeepSciVerify achieves 86.7 Micro-F1, outperforming strong abstract-only baselines by +4.5 points while resolving 67% of instances without full-text retrieval. These results suggest that selective evidence escalation improves both accuracy and efficiency in claim-citation verification.

Khashayar Khajavi, Shaghayegh Sadeghi, Rise Adhikari et al.

Large language models (LLMs) are increasingly used to generate scientific reports, but they can produce references that appear plausible while containing corrupted metadata or pointing to papers that do not exist. We introduce CiteCheck, a hybrid framework for citation hallucination detection that verifies whether a citation corresponds to a real scholarly work and whether its metadata is faithful to that work. CiteCheck retrieves candidate publications from external scholarly sources, compares the citation against the retrieved candidate using a structured LLM verifier, and maps verifier scores into three labels: Exact, Minor, and Major. We also construct a 982-citation physics benchmark with controlled corruptions that capture both subtle metadata drift and fully fabricated references. On the held-out test set, CiteCheck achieves 88.7 macro-F1 and 88.9% accuracy, outperforming GPT, Claude, and Gemini baselines, including web-search and few-shot variants. These results show that reliable citation verification benefits from combining scholarly retrieval, structured LLM-based comparison, and calibrated decision rules.

Shaghayegh Sadeghi, Alan Bui, Ali Forooghi et al.

Purpose: Large Language Models (LLMs) like GPT (Generative Pre-trained Transformer) from OpenAI and LLaMA (Large Language Model Meta AI) from Meta AI are increasingly recognized for their potential in the field of cheminformatics, particularly in understanding Simplified Molecular Input Line Entry System (SMILES), a standard method for representing chemical structures. These LLMs also have the ability to decode SMILES strings into vector representations. Method: We investigate the performance of GPT and LLaMA compared to pre-trained models on SMILES in embedding SMILES strings on downstream tasks, focusing on two key applications: molecular property prediction and drug-drug interaction prediction. Results: We find that SMILES embeddings generated using LLaMA outperform those from GPT in both molecular property and DDI prediction tasks. Notably, LLaMA-based SMILES embeddings show results comparable to pre-trained models on SMILES in molecular prediction tasks and outperform the pre-trained models for the DDI prediction tasks. Conclusion: The performance of LLMs in generating SMILES embeddings shows great potential for further investigation of these models for molecular embedding. We hope our study bridges the gap between LLMs and molecular embedding, motivating additional research into the potential of LLMs in the molecular representation field. GitHub: https://github.com/sshaghayeghs/LLaMA-VS-GPT

Ali Forooghi, Shaghayegh Sadeghi, Jianguo Lu

Sentence embedding is a cornerstone in NLP. Whitening has been claimed to be an effective operation to improve embedding quality obtained from Large Language Models (LLMs). However, we find that the efficacy of whitening is model-dependent and task-dependent. In particular, whitening degenerates embeddings for classification tasks. The conclusion is supported by extensive experiments. We also explored a variety of whitening operations, including PCA, ZCA, PCA-Cor, ZCA-Cor and Cholesky whitenings. A by-product of our research is embedding evaluation platform for LLMs called SentEval+.