Existing LLM-based molecular optimization methods frame the task as molecule-to-molecule mapping, forcing models to implicitly learn structure-property relationships from paired SMILES alone. We argue this misses a key ingredient: task-level chemical knowledge that tells the model which structural motifs to prefer or avoid for a given property direction, before it ever looks at a specific molecule. We propose SkillMol, which constructs compact task skills – sets of recommended and discouraged structural motifs for each optimization objective – from domain knowledge, and pairs them with an atom-anchored action interface that decomposes editing into discrete, executable operations. Skills are used twice: as explicit training context so the model learns skill-conditioned edit actions, and as functional-group constraints during inference search. A deterministic RDKit executor applies the proposed graph edits. On the MoleculeSTM benchmark across 14 molecular editing tasks, SkillMol achieves 92.5% loose and 80.0% strict hit ratio on single-property tasks and 65.3% average across loose and strict multi-property columns, outperforming strong LLM baselines. Our code can be found at https://github.com/jiajunyu1999/SkillMol.

The initial outpatient consultation is critical for clinical decision-making, yet it is often conducted by a single physician under time pressure, making it prone to cognitive biases and incomplete evidence capture. Although the Multi-Disciplinary Team (MDT) reduces these risks, they are costly and difficult to scale to real-time intake. We propose Aegle, a synchronous virtual MDT framework that brings MDT-level reasoning to outpatient consultations via a graph-based multi-agent architecture. Aegle formalizes the consultation state using a structured SOAP representation, separating evidence collection from diagnostic reasoning to improve traceability and bias control. An orchestrator dynamically activates specialist agents, which perform decoupled parallel reasoning and are subsequently integrated by an aggregator into a coherent clinical note. Experiments on ClinicalBench and a real-world RAPID-IPN dataset across 24 departments and 53 metrics show that Aegle consistently outperforms state-of-the-art proprietary and open-source models in documentation quality and consultation capability.

Healthcare prediction using electronic health records (EHRs) is a cornerstone of modern clinical decision support. Conventional machine learning (ML) models achieve strong predictive performance but rarely provide knowledge-grounded, human-readable explanations. Large language models (LLMs) incorporated with medical knowledge graphs (KGs) offer advanced reasoning and explainability with encoded clinical facts, yet existing approaches typically perform monolithic reasoning over entire patient records, mixing task-irrelevant context and obscuring disease-specific attribution. To bridge these gaps, we propose CRU-Reason, a novel framework that integrates ML models, medical KGs, and LLMs through Clinical Rationale Units (CRUs) for knowledge-grounded and interpretable healthcare prediction. CRU is a localized structure that explicitly captures clinically meaningful communities among EHR concepts, thereby enabling LLMs to perform disease-centered, fine-grained reasoning. Experiments on two public clinical datasets demonstrate that CRU-Reason improves over the strongest evaluated EHR-prediction baselines by an average of +9.4% across drug recommendation and diagnosis prediction, while exhibiting improved rationale quality and cross-dataset robustness.

Scientific idea generation requires more than fluent continuation from a problem statement: strong ideas often emerge from inspecting the same problem through multiple informative perspectives. We propose PRISM, an entropy-guided multi-view framework for scientific ideation. Given a research problem, PRISM constructs candidate inspection views, estimates their pairwise orthogonality through hypothesis-transition entropy, selects a maximally orthogonal subset, and conditions a backbone model on the selected views to synthesize a single proposal-style idea. We evaluate PRISM on 500 research problems across 23 scientific domains using three generation backbones: Llama-3.1-8B-Instruct, Qwen3-8B, and GPT-5.4. To assess generated ideas, we use two complementary automated judges—a Galactica-based impact discriminator trained from citation-derived scientific preferences and GPT-5.5 blind five-way novelty ranking—as well as a blind human study with five PhD-level evaluators. Across 7,500 generated ideas, PRISM achieves the best impact score and an 80.2% impact pairwise win rate, a 90.9% novelty pairwise win rate, and the highest mean score (3.91/5) in human evaluation. These results suggest that entropy-guided multi-view exploration provides an effective inference-time mechanism for producing more novel and impactful scientific ideas. Our code is available at https://github.com/jiajunyu1999/PRISM-idea-generation.

Large reasoning models (LRMs) achieve strong performance on complex tasks by generating intermediate reasoning before the final answer, yet they remain prone to reasoning hallucinations such as subtle arithmetic or constraint-violation errors. Prior hallucination detectors often rely on external verification or local token-level signals, which are limited for LRMs and largely overlook whether the cross-phase information flow from reasoning to answering is structurally robust. We propose Routing Focus Score (RFS), a step-level indicator that measures how strongly cross-step attention routing aligns with semantic proximity derived from hidden-state cosine similarity. We further design RFS-Guard, a lightweight hallucination detection framework based on RFS. Empirically, we observe that higher reasoning–answer RFS is consistently associated with higher hallucination risk, suggesting a routing-collapse failure mode where models might prefer self-confirmation loops and suppress the ability to audit their own generations. Experimental results across multiple domains and models demonstrate the superiority of RFS-Guard for detecting and localizing hallucinations in LRMs without requiring external tools or repeated sampling.

Natural language data is inherently noisy, yet standard interpretable models often rely on scalar similarities that obscure the true evidentiary basis of a prediction. This limitation is particularly detrimental to prototype-based classification, where traditional full-alignment mechanisms force non-informative background segments to match informative prototypes, yielding unstable or misleading explanations. To mitigate this, we present SCOUT, a novel paradigm that grounds prototype reasoning in the selective correspondence of discriminative fragments. Concretely, we represent each document as a discrete distribution over span embeddings and employ differentiable Unbalanced Optimal Transport (UOT) to align them with class-specific prototypes. Unlike standard methods, this mechanism enables the model to focus strictly on decisive evidence while leaving irrelevant noise unmatched via geometric mass suppression. To ensure verifiability, we anchor prototype supports to readable training spans, establishing a transparent bridge between input segments and stored knowledge. Comprehensive experiments on seven benchmarks demonstrate that SCOUT yields prototypes focused on semantically significant spans, significantly outperforming traditional rationale extraction and post-hoc attribution methods in terms of faithfulness and stability.

While Large Language Models (LLMs) have exhibited impressive performance in generating long-form content, they frequently present a hazard of producing factual inaccuracies or hallucinations. An effective strategy to mitigate this hazard is to leverage off-the-shelf LLMs to detect hallucinations after the generation. The primary challenge resides in the comprehensive elicitation of the intrinsic knowledge acquired during their pre-training phase. However, existing methods that employ multi-step reasoning chains predominantly fall short of addressing this issue. Moreover, since existing methods for hallucination detection tend to decompose text into isolated statements, they are unable to understand the contextual semantic relations in long-form content. In this paper, we study a novel concept, self-elicitation, to leverage self-generated thoughts derived from prior statements as catalysts to elicit the expression of intrinsic knowledge and understand contextual semantics. We present a framework, SelfElicit, to integrate self-elicitation with graph structures to effectively organize the elicited knowledge and facilitate factual evaluations. Extensive experiments on five datasets in various domains demonstrate the effectiveness of self-elicitation and the superiority of our proposed method.

Document question answering plays a crucial role in enhancing employee productivity by providing quick and accurate access to information. Two primary approaches have been developed: retrieval-augmented generation (RAG), which reduces input tokens and inference costs, and long-context question answering (LC), which processes entire documents for higher accuracy. We introduce EXPLAIN (EXtracting, Pre-summarizing, Linking and enhAcINg RAG), a novel retrieval-augmented generation method that automatically extracts useful entities and generates summaries from documents. EXPLAIN improves accuracy by retrieving more informative entity summaries, achieving precision comparable to LC while maintaining low token consumption. Experimental results on internal dataset (ROUGE-L from 30.14% to 30.31%) and three public datasets (HotpotQA, 2WikiMQA, and Quality, average score from 62% to 64%) demonstrate the efficacy of EXPLAIN. Human evaluation in ant group production deployment indicates EXPLAIN surpasses baseline RAG in comprehensiveness.

Measuring semantic similarity between texts is a crucial task in natural language processing. While existing semantic text matching focuses on pairs of similar-length sequences, matching texts with non-comparable lengths has broader applications in specific domains, such as comparing professional document summaries and content. Current approaches struggle with text pairs of non-comparable lengths due to truncation issues. To address this, we split texts into natural sentences and decouple sentence representations using supervised contrastive learning (SCL). Meanwhile, we adopt the embedded topic model (ETM) for specific domain data. Our experiments demonstrate the effectiveness of our model, based on decoupled and topic-informed sentence embeddings, in matching texts of significantly different lengths across three well-studied datasets.