Xukai Liu

Xukai Liu, Ye Liu, Jipeng Zhang et al.

Large language models (LLMs) perform well on multi-hop reasoning, yet how they internally compose multiple facts remains unclear. Recent work proposes \emph{hop-aligned circuit hypothesis}, suggesting that bridge entities are computed sequentially across layers before later-hop answers. Through systematic analyses on real-world multi-hop queries, we show that this hop-aligned assumption does not generalize: later-hop answer entities can become decodable earlier than bridge entities, a phenomenon we call \emph{layer-order inversion}, which strengthens with total hops. To explain this behavior, we propose a \emph{probabilistic recall-and-extract} framework that models multi-hop reasoning as broad probabilistic recall in shallow MLP layers followed by selective extraction in deeper attention layers. This framework is empirically validated through systematic probing analyses, reinterpreting prior layer-wise decoding evidence, explaining chain-of-thought gains, and providing a mechanistic diagnosis of multi-hop failures despite correct single-hop knowledge. Code is available at https://github.com/laquabe/Layer-Order-Inversion.

Haoyu Tang, Ye Liu, Xi Zhao et al.

Recent advances in machine learning, particularly in Natural Language Processing (NLP), have produced powerful models trained on vast datasets. However, these models risk leaking sensitive information, raising privacy concerns. In response, regulatory measures such as the European Union's General Data Protection Regulation (GDPR) have driven increasing interest in Machine Unlearning techniques, which enable models to selectively forget specific data entries. Early unlearning approaches primarily relied on pre-processing methods, while more recent research has shifted towards training-based solutions. Despite their effectiveness, a key limitation persists: most methods require access to original training data, which is often unavailable. Additionally, directly applying unlearning techniques bears the cost of undermining the model's expressive capabilities. To address these challenges, we introduce the Iterative Contrastive Unlearning (ICU) framework, which consists of three core components: A Knowledge Unlearning Induction module designed to target specific knowledge for removal using an unlearning loss; A Contrastive Learning Enhancement module to preserve the model's expressive capabilities against the pure unlearning goal; And an Iterative Unlearning Refinement module that dynamically adjusts the unlearning process through ongoing evaluation and updates. Experimental results demonstrate the efficacy of our ICU method in unlearning sensitive information while maintaining the model's overall performance, offering a promising solution for privacy-conscious machine learning applications.

Jiaxian Yan, Jintao Zhu, Yuhang Yang et al.

Protein-ligand bioactivity data published in the literature are essential for drug discovery, yet manual curation struggles to keep pace with rapidly growing literature. Automated bioactivity extraction remains challenging because it requires not only interpreting biochemical semantics distributed across text, tables, and figures, but also reconstructing chemically exact ligand structures (e.g., Markush structures). To address this bottleneck, we introduce BioMiner, a multi-modal extraction framework that explicitly separates bioactivity semantic interpretation from ligand structure construction. Within BioMiner, bioactivity semantics are inferred through direct reasoning, while chemical structures are resolved via a chemical-structure-grounded visual semantic reasoning paradigm, in which multi-modal large language models operate on chemically grounded visual representations to infer inter-structure relationships, and exact molecular construction is delegated to domain chemistry tools. For rigorous evaluation and method development, we further establish BioVista, a comprehensive benchmark comprising 16,457 bioactivity entries curated from 500 publications. BioMiner validates its extraction ability and provides a quantitative baseline, achieving an F1 score of 0.32 for bioactivity triplets. BioMiner's practical utility is demonstrated via three applications: (1) extracting 82,262 data from 11,683 papers to build a pre-training database that improves downstream models performance by 3.9%; (2) enabling a human-in-the-loop workflow that doubles the number of high-quality NLRP3 bioactivity data, helping 38.6% improvement over 28 QSAR models and identification of 16 hit candidates with novel scaffolds; and (3) accelerating protein-ligand complex bioactivity annotation, achieving a 5.59-fold speed increase and 5.75% accuracy improvement over manual workflows in PoseBusters dataset.

Yanghai Zhang, Ye Liu, Shiwei Wu et al.

The rapid increase in multimedia data has spurred advancements in Multimodal Summarization with Multimodal Output (MSMO), which aims to produce a multimodal summary that integrates both text and relevant images. The inherent heterogeneity of content within multimodal inputs and outputs presents a significant challenge to the execution of MSMO. Traditional approaches typically adopt a holistic perspective on coarse image-text data or individual visual objects, overlooking the essential connections between objects and the entities they represent. To integrate the fine-grained entity knowledge, we propose an Entity-Guided Multimodal Summarization model (EGMS). Our model, building on BART, utilizes dual multimodal encoders with shared weights to process text-image and entity-image information concurrently. A gating mechanism then combines visual data for enhanced textual summary generation, while image selection is refined through knowledge distillation from a pre-trained vision-language model. Extensive experiments on public MSMO dataset validate the superiority of the EGMS method, which also prove the necessity to incorporate entity information into MSMO problem.

Ye Liu, Jiajun Zhu, Xukai Liu et al.

Few-Shot Fake News Detection (FS-FND) aims to distinguish inaccurate news from real ones in extremely low-resource scenarios. This task has garnered increased attention due to the widespread dissemination and harmful impact of fake news on social media. Large Language Models (LLMs) have demonstrated competitive performance with the help of their rich prior knowledge and excellent in-context learning abilities. However, existing methods face significant limitations, such as the Understanding Ambiguity and Information Scarcity, which significantly undermine the potential of LLMs. To address these shortcomings, we propose a Dual-perspective Knowledge-guided Fake News Detection (DKFND) model, designed to enhance LLMs from both inside and outside perspectives. Specifically, DKFND first identifies the knowledge concepts of each news article through a Detection Module. Subsequently, DKFND creatively designs an Investigation Module to retrieve inside and outside valuable information concerning to the current news, followed by another Judge Module to evaluate the relevance and confidence of them. Finally, a Determination Module further derives two respective predictions and obtain the final result. Extensive experiments on two public datasets show the efficacy of our proposed method, particularly in low-resource settings.

Zheng Huang, Xukai Liu, Tianyu Hu et al.

PowerPoint presentations combine rich textual content with structured visual layouts, making them a natural testbed for evaluating the multimodal reasoning and layout understanding abilities of modern MLLMs. However, existing benchmarks focus solely on narrow subtasks while overlooking layout-centric challenges, which are central to real-world slide creation and editing. To bridge this gap, we introduce PPTBench, a comprehensive multimodal benchmark for evaluating LLMs on PowerPoint-related tasks. Leveraging a diverse source of 958 PPTX files, PPTBench evaluates models across four categories with 4,439 samples, including Detection, Understanding, Modification, and Generation. Our experiments reveal a substantial gap between semantic understanding and visual-layout reasoning in current MLLMs: models can interpret slide content but fail to produce coherent spatial arrangements. Ablation and further analysis show that current MLLMs struggle to combine visual cues with JSON-based layout structures and fail to integrate visual information into their API planning ability. And case studies visually expose systematic layout errors such as misalignment and element overlap. These findings provides a new perspective on evaluating VLLMs in PPT scenarios, highlighting challenges and directions for future research on visual-structural reasoning and coherent slide generation. All datasets and code are fully released to support reproducibility and future research.

Xukai Liu, Ye Liu, Shiwen Wu et al.

Recent advances in large language models (LLMs) have led to impressive progress in natural language generation, yet their tendency to produce hallucinated or unsubstantiated content remains a critical concern. To improve factual reliability, Retrieval-Augmented Generation (RAG) integrates external knowledge during inference. However, existing RAG systems face two major limitations: (1) unreliable adaptive control due to limited external knowledge supervision, and (2) hallucinations caused by inaccurate or irrelevant references. To address these issues, we propose Know3-RAG, a knowledge-aware RAG framework that leverages structured knowledge from knowledge graphs (KGs) to guide three core stages of the RAG process, including retrieval, generation, and filtering. Specifically, we introduce a knowledge-aware adaptive retrieval module that employs KG embedding to assess the confidence of the generated answer and determine retrieval necessity, a knowledge-enhanced reference generation strategy that enriches queries with KG-derived entities to improve generated reference relevance, and a knowledge-driven reference filtering mechanism that ensures semantic alignment and factual accuracy of references. Experiments on multiple open-domain QA benchmarks demonstrate that Know3-RAG consistently outperforms strong baselines, significantly reducing hallucinations and enhancing answer reliability.