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Jingling Yuan

Jingling Yuan contributes to research discovery and scholarly infrastructure.

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Published work

3 published item(s)

preprint2026arXiv

Cross-Domain Molecular Relational Learning: Leveraging Chemical Structure-Activity Analysis

Recent advances in molecular representation integrates molecular topological and visual modalities, opening new avenues for precise Molecular Relational Learning (MRL). Existing MRL methods focus on intra-domain modeling, and their inherent domain-closed effect limits applicability to molecular science, particularly in elucidating cross-domain interaction mechanisms. Consequently, the imperative for Cross-Domain Molecular Relational Learning has become increasingly pressing. Benefiting from structure-activity analysis, we propose the Domain Adversarial Training Network with Structural-Semantic Transfer Discrepancy (DisTrans) to optimize cross-domain adaptive representation for molecular structures and visual images. 1) We employ the gradient reversal strategy based on substructure topological discrepancies between domains to learn the domain dependence of molecular structures. This strategy guides the model to adapt to the structural adjacency patterns in the target domain, generating domain-separable structural representations. 2) We apply the cross-domain representation guidance mechanism to align the functional-group semantic information between the source and target domains, learning cross-domain consistency information. The experimental results in two typical cross-domain strategies demonstrate that DisTrans outperforms 16 baseline methods, maintaining satisfactory performance even under pronounced inter-domain discrepancy.

preprint2025arXiv

Heaven-Sent or Hell-Bent? Benchmarking the Intelligence and Defectiveness of LLM Hallucinations

Hallucinations in large language models (LLMs) are commonly regarded as errors to be minimized. However, recent perspectives suggest that some hallucinations may encode creative or epistemically valuable content, a dimension that remains underquantified in current literature. Existing hallucination detection methods primarily focus on factual consistency, struggling to handle heterogeneous scientific tasks and balance creativity with accuracy. To address these challenges, we propose HIC-Bench, a novel evaluation framework that categorizes hallucinations into Intelligent Hallucinations (IH) and Defective Hallucinations (DH), enabling systematic investigation of their interplay in LLM creativity. HIC-Bench features three core characteristics: (1) Structured IH/DH Assessment. using a multi-dimensional metric matrix integrating Torrance Tests of Creative Thinking (TTCT) metrics (Originality, Feasibility, Value) with hallucination-specific dimensions (scientific plausibility, factual deviation); (2) Cross-Domain Applicability. spanning ten scientific domains with open-ended innovation tasks; and (3) Dynamic Prompt Optimization. leveraging the Dynamic Hallucination Prompt (DHP) to guide models toward creative and reliable outputs. The evaluation process employs multiple LLM judges, averaging scores to mitigate bias, with human annotators verifying IH/DH classifications. Experimental results reveal a nonlinear relationship between IH and DH, demonstrating that creativity and correctness can be jointly optimized. These insights position IH as a catalyst for creativity and reveal the ability of LLM hallucinations to drive scientific innovation.Additionally, the HIC-Bench offers a valuable platform for advancing research into the creative intelligence of LLM hallucinations.

preprint2022arXiv

MealRec: A Meal Recommendation Dataset

Bundle recommendation systems aim to recommend a bundle of items for a user to consider as a whole. They have become a norm in modern life and have been applied to many real-world settings, such as product bundle recommendation, music playlist recommendation and travel package recommendation. However, compared to studies of bundle recommendation approaches in areas such as online shopping and digital music services, research on meal recommendations for restaurants in the hospitality industry has made limited progress, due largely to the lack of high-quality benchmark datasets. A publicly available dataset specialising in meal recommendation research for the research community is in urgent demand. In this paper, we introduce a meal recommendation dataset (MealRec) that aims to facilitate future research. MealRec is constructed from the user review records of Allrecipe.com, covering 1,500+ users, 7,200+ recipes and 3,800+ meals. Each recipe is described with rich information, such as ingredients, instructions, pictures, category and tags, etc; and each meal is three-course, consisting of an appetizer, a main dish and a dessert. Furthermore, we propose a category-constrained meal recommendation model that is evaluated through comparative experiments with several state-of-the-art bundle recommendation methods on MealRec. Experimental results confirm the superiority of our model and demonstrate that MealRec is a promising testbed for meal recommendation related research. The MealRec dataset and the source code of our proposed model are available at https://github.com/WUT-IDEA/MealRec for access and reproducibility.