KLaR: fusing knowledge graphs and language models for biomedical target discovery

NEOGRAN: traceable graph-text fusion for disease–protein relation prediction in biomedical knowledge graphs

Accurately predicting disease–protein relations in biomedical knowledge graphs helps link disease phenotypes to molecular mechanisms and supports disease-related knowledge discovery and candidate target identification. Biomedical knowledge graphs organize multisource biomedical knowledge, including diseases, proteins, drugs, and pathways, as entity nodes and relational edges, providing a structured foundation for modeling complex biomedical associations. Existing methods are often constrained by single-modality modeling, shallow graph–text fusion, and insufficient traceable evidence, which limits their ability to exploit graph–text complementarity and weakens downstream validation and structural evidence interpretation. To address these limitations, we propose NEOGRAN, a graph–text collaborative framework comprising three core modules for relation prediction in biomedical knowledge graphs. The dual-encoder architecture captures graph structural patterns and biomedical entity representations to mitigate single-modality modeling. The bidirectional cross-attention module enables deep graph–text interaction to overcome shallow fusion. The interpretable path module generates traceable evidence paths to support prediction verification, structural evidence interpretation, and hypothesis generation. On PrimeKG, NEOGRAN achieved an AUPR of 0.9860 and an AUROC of 0.9875 under the 1:1 sampled classification setting, and further obtained an MRR of 0.0735 in the all-candidate ranking evaluation. External validation on BioKG further shows that NEOGRAN remains effective under differences in entity coverage, relation composition, and local topology, supporting its method-level generalizability across knowledge graph sources. NEOGRAN provides an effective solution for relation prediction in biomedical knowledge graphs while offering traceable structural evidence for hypothesis generation and further biological validation.

Ontology-Free Biomedical Knowledge Graph Induction (OF-Bio-KG)

Adapting large language models (LLMs) to new domains using techniques like pre-training or fine-tuning can be computationally intensive. This challenge has motivated researchers and practitioners to explore alternative strategies, such as Retrieval-based augmentation mechanisms, to reduce training cost while preserving model adaptability. These mechanisms enable LLMs to generate responses grounded in external and previously unseen data. Among these approaches, RetrievalAugmented Generation (RAG) is the widely adopted due to its relatively low computational overhead. However, conventional RAG pipelines exhibit some limitations, including weak semantic coherence across retrieved contexts, limited structural reasoning capability, and the absence of explicit relational representations. To overcome these limitations, recent research has shifted toward the integration of Knowledge Graphs (KGs), which provide structured semantic representations and explicit relational modeling. KG-based approaches looks promising but the typically depend on manually designed ontologies, resulting in scalability constraints and domain adaptation challenges. To address these limitations, we propose OF-BIO-KG, a framework for automated, ontology-free knowledge graph construction. Our approach begins by projecting domain data into a vector database to identify semantically coherent clusters. An LLM then labels these clusters as conceptual nodes and infers both hierarchical and cross-cluster relationships. These nodes and links are persisted in a graph database. By eliminating the need for predefined schemas, our framework offers a scalable, computationally efficient solution for domain-specific LLM adaptation.

A unified framework and benchmark for generalizable biomedical knowledge extraction and applications with large language models

Summary Biomedical information extraction (BIE) is fundamental for transforming unstructured biomedical text into structured, computable knowledge, yet the effectiveness of large language models (LLMs) remains limited by dataset heterogeneity and lack of unified benchmarks. We present InfoFlowEX, a unified framework for generalizable biomedical knowledge extraction with LLMs. InfoFlowEX incorporates an automated data integration pipeline using ontology-guided alignment to construct BIE-Corpus, a large-scale multi-domain benchmark unifying 40 public datasets for named entity recognition and relation extraction. We further introduce a task-conditioned schema instruction tuning strategy encoding 28 biomedical entity and relation types into a schema codebase, enabling LLMs to align heterogeneous annotations and generalize across settings. Finally, we evaluated InfoFlowEX in diverse applications, including evidence retrieval for question-answering, clinical diagnosis from electronic health records, and knowledge graph expansion. Results demonstrate that InfoFlowEX equips LLMs with robust adaptability, achieving consistent gains over baselines with minimal task-specific customization, highlighting InfoFlowEX for real-world biomedical applications.

Aligning Biomedical Texts and Knowledge Graphs: A Systematic Comparison of Lightweight Alignment Strategies

Biomedical knowledge exists in two complementary but distinct forms: unstructured scientific literature and structured knowledge graphs (KGs). Aligning them is essential for knowledge grounding, evidence retrieval, and KG completion, yet existing methods do not explicitly align free-text evidence with KG triples. We present a unified framework for systematically studying design choices for aligning biomedical text and KGs. With a text encoder and a KG embedding model both frozen, we learn only a lightweight projection between their spaces via a contrastive objective. This enables a fair comparison across six design dimensions: text encoder, KG embedding model, projection head, triple composition, training direction, and hard-negatives sampling. We construct CTD-Align, a corpus of over 22K one-to-one tripledocument pairs linking chemical-gene interactions from the Comparative Toxicogenomics Database to supporting PubMed passages. We evaluate alignment on it in two retrieval settings: document-to-triple and triple-to-document. We find that the triple composition and the training direction (i.e., shared retrieval space) have the greatest impact, whereas the text encoder and hard-negatives sampling matter little. Overall, simple choices win: projecting text into the KG space with a linear head over concatenated subject, predicate, and object embeddings performs best. These findings establish lightweight contrastive alignment as an effective, practical foundation for bridging biomedical text and KGs.

LLMs as Parametric Knowledge Sources for Knowledge Graph Completion

VitaGraph: building a knowledge graph for biologically relevant learning tasks

VitaGraph is presented, a comprehensive multi-purpose biological knowledge graph built by integrating and refining multiple public datasets and enabling benchmarking of graph-based models and offering the opportunity to tackle tasks such as drug repurposing, PPI prediction, and side-effect prediction, among others.