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Sep 7

MyoMechanix: Biomechanically-Grounded Compositional Skilled Activity Understanding and Coaching

Existing action quality assessment (AQA) datasets and methods rely primarily on visual inputs such as RGB and pose, overlooking physiological dynamics such as muscle mechanics and often modeling actions as monolithic patterns. These limitations hinder fine-grained, biomechanically grounded feedback. We introduce MyoMechanix, a multimodal ecosystem for weight-loaded actions that aligns motion with muscle activity. Expert-annotated, it contains 7,500+ samples of 20 actions from 38 subjects, with synchronized multiview RGB video, 3D pose, sEMG, and additional physiological signals, forming the largest multimodal AQA benchmark to date. We further construct the Fitness Knowledge Graph (FKG), which organizes expert annotations into structured relationships among actions, phases, key steps, errors, and corrective feedback, enabling compositional scoring and interpretable assessment. Building on these representations, we develop CUBIST (Compositional Ontological Reasoning Engine), which performs decomposition-analysis-recomposition for fine-grained error attribution and feedback generation. We also establish MyoMechanix-AQA, MyoMechanix-VideoQA, and a novel MyoMechanix-Video2EMG task. Experiments show that multimodal sensing and structured representations improve performance, interpretability, and error attribution, with CUBIST achieving state-of-the-art results; VideoQA enhances language-grounded action understanding; and Video2EMG suggests video-based alternatives to costly EMG sensing. MyoMechanix advances skilled activity understanding toward biomechanically grounded, multimodal, and compositional reasoning for Physical AI applications in fitness, rehabilitation, healthcare, and machine learning. Project page: https://haoyin116.github.io/MyoMechanix/

  • 9 authors
·
Aug 25

FLEX: A Large-Scale Multi-Modal Multi-Action Dataset for Fitness Action Quality Assessment

With the increasing awareness of health and the growing desire for aesthetic physique, fitness has become a prevailing trend. However, the potential risks associated with fitness training, especially with weight-loaded fitness actions, cannot be overlooked. Action Quality Assessment (AQA), a technology that quantifies the quality of human action and provides feedback, holds the potential to assist fitness enthusiasts of varying skill levels in achieving better training outcomes. Nevertheless, current AQA methodologies and datasets are limited to single-view competitive sports scenarios and RGB modality and lack professional assessment and guidance of fitness actions. To address this gap, we propose the FLEX dataset, the first multi-modal, multi-action, large-scale dataset that incorporates surface electromyography (sEMG) signals into AQA. FLEX utilizes high-precision MoCap to collect 20 different weight-loaded actions performed by 38 subjects across 3 different skill levels for 10 repetitions each, containing 5 different views of the RGB video, 3D pose, sEMG, and physiological information. Additionally, FLEX incorporates knowledge graphs into AQA, constructing annotation rules in the form of penalty functions that map weight-loaded actions, action keysteps, error types, and feedback. We conducted various baseline methodologies on FLEX, demonstrating that multimodal data, multiview data, and fine-grained annotations significantly enhance model performance. FLEX not only advances AQA methodologies and datasets towards multi-modal and multi-action scenarios but also fosters the integration of artificial intelligence within the fitness domain. Dataset and code are available at https://haoyin116.github.io/FLEX_Dataset.

  • 8 authors
·
Jun 1, 2025 1

A large collection of bioinformatics question-query pairs over federated knowledge graphs: methodology and applications

Background. In the last decades, several life science resources have structured data using the same framework and made these accessible using the same query language to facilitate interoperability. Knowledge graphs have seen increased adoption in bioinformatics due to their advantages for representing data in a generic graph format. For example, yummydata.org catalogs more than 60 knowledge graphs accessible through SPARQL, a technical query language. Although SPARQL allows powerful, expressive queries, even across physically distributed knowledge graphs, formulating such queries is a challenge for most users. Therefore, to guide users in retrieving the relevant data, many of these resources provide representative examples. These examples can also be an important source of information for machine learning, if a sufficiently large number of examples are provided and published in a common, machine-readable and standardized format across different resources. Findings. We introduce a large collection of human-written natural language questions and their corresponding SPARQL queries over federated bioinformatics knowledge graphs (KGs) collected for several years across different research groups at the SIB Swiss Institute of Bioinformatics. The collection comprises more than 1000 example questions and queries, including 65 federated queries. We propose a methodology to uniformly represent the examples with minimal metadata, based on existing standards. Furthermore, we introduce an extensive set of open-source applications, including query graph visualizations and smart query editors, easily reusable by KG maintainers who adopt the proposed methodology. Conclusions. We encourage the community to adopt and extend the proposed methodology, towards richer KG metadata and improved Semantic Web services.

  • 17 authors
·
Oct 8, 2024

OptimusKG: Unifying biomedical knowledge in a modern multimodal graph

Biomedical knowledge graphs (KGs) are widely used in the life sciences, yet many are derived from unstructured documents and therefore lack schema-level constrains, whereas graphs assembled from structured resources are difficult to harmonize into a unified representation. We present OptimusKG, a multimodal biomedical labeled property graph (LPG) built from structured and semi-structured resources to preserve factual, type-specific metadata across molecular, anatomical, clinical, and environmental domains. OptimusKG contains 190,531 nodes across 10 entity types, 21,813,816 edges across 26 relation types, and 67,249,863 property instances encoding 110,276,843 values across 150 distinct property keys, derived from 18 ontologies and controlled vocabularies. The graph enforces a top-level schema for nodes and edges and retains granular, type-specific properties, cross-references, and provenance across molecular, anatomical, clinical, and environmental domains. We assessed the validity of OptimusKG by evaluating whether graph relationships are supported by evidence from the scientific literature using a multimodal agent, PaperQA3. PaperQA3 identified supporting evidence for 70.0% of sampled edges, whereas 83.4% of sampled false edges received no supporting evidence. Edges without literature support were concentrated in associations derived from experimental and functional genomics resources, suggesting that OptimusKG captures biomedical knowledge that may precede synthesis in the scientific literature. OptimusKG is distributed as Apache Parquet files, providing a standardized resource for graph-based machine learning, knowledge-grounded retrieval with large language models, and biomedical discovery use cases such as hypothesis generation.

  • 8 authors
·
Apr 28

BioGraphFusion: Graph Knowledge Embedding for Biological Completion and Reasoning

Motivation: Biomedical knowledge graphs (KGs) are crucial for drug discovery and disease understanding, yet their completion and reasoning are challenging. Knowledge Embedding (KE) methods capture global semantics but struggle with dynamic structural integration, while Graph Neural Networks (GNNs) excel locally but often lack semantic understanding. Even ensemble approaches, including those leveraging language models, often fail to achieve a deep, adaptive, and synergistic co-evolution between semantic comprehension and structural learning. Addressing this critical gap in fostering continuous, reciprocal refinement between these two aspects in complex biomedical KGs is paramount. Results: We introduce BioGraphFusion, a novel framework for deeply synergistic semantic and structural learning. BioGraphFusion establishes a global semantic foundation via tensor decomposition, guiding an LSTM-driven mechanism to dynamically refine relation embeddings during graph propagation. This fosters adaptive interplay between semantic understanding and structural learning, further enhanced by query-guided subgraph construction and a hybrid scoring mechanism. Experiments across three key biomedical tasks demonstrate BioGraphFusion's superior performance over state-of-the-art KE, GNN, and ensemble models. A case study on Cutaneous Malignant Melanoma 1 (CMM1) highlights its ability to unveil biologically meaningful pathways. Availability and Implementation: Source code and all training data are freely available for download at https://github.com/Y-TARL/BioGraphFusion. Supplementary information: Supplementary data are available at Bioinformatics online.

  • 6 authors
·
Jul 19, 2025

A Change Language for Ontologies and Knowledge Graphs

Ontologies and knowledge graphs (KGs) are general-purpose computable representations of some domain, such as human anatomy, and are frequently a crucial part of modern information systems. Most of these structures change over time, incorporating new knowledge or information that was previously missing. Managing these changes is a challenge, both in terms of communicating changes to users, and providing mechanisms to make it easier for multiple stakeholders to contribute. To fill that need, we have created KGCL, the Knowledge Graph Change Language, a standard data model for describing changes to KGs and ontologies at a high level, and an accompanying human-readable controlled natural language. This language serves two purposes: a curator can use it to request desired changes, and it can also be used to describe changes that have already happened, corresponding to the concepts of "apply patch" and "diff" commonly used for managing changes in text documents and computer programs. Another key feature of KGCL is that descriptions are at a high enough level to be useful and understood by a variety of stakeholders--for example, ontology edits can be specified by commands like "add synonym 'arm' to 'forelimb'" or "move 'Parkinson disease' under 'neurodegenerative disease'". We have also built a suite of tools for managing ontology changes. These include an automated agent that integrates with and monitors GitHub ontology repositories and applies any requested changes, and a new component in the BioPortal ontology resource that allows users to make change requests directly from within the BioPortal user interface. Overall, the KGCL data model, its controlled natural language, and associated tooling allow for easier management and processing of changes associated with the development of ontologies and KGs.

  • 12 authors
·
Sep 20, 2024

MedKGent: A Large Language Model Agent Framework for Constructing Temporally Evolving Medical Knowledge Graph

The rapid expansion of medical literature presents growing challenges for structuring and integrating domain knowledge at scale. Knowledge Graphs (KGs) offer a promising solution by enabling efficient retrieval, automated reasoning, and knowledge discovery. However, current KG construction methods often rely on supervised pipelines with limited generalizability or naively aggregate outputs from Large Language Models (LLMs), treating biomedical corpora as static and ignoring the temporal dynamics and contextual uncertainty of evolving knowledge. To address these limitations, we introduce MedKGent, a LLM agent framework for constructing temporally evolving medical KGs. Leveraging over 10 million PubMed abstracts published between 1975 and 2023, we simulate the emergence of biomedical knowledge via a fine-grained daily time series. MedKGent incrementally builds the KG in a day-by-day manner using two specialized agents powered by the Qwen2.5-32B-Instruct model. The Extractor Agent identifies knowledge triples and assigns confidence scores via sampling-based estimation, which are used to filter low-confidence extractions and inform downstream processing. The Constructor Agent incrementally integrates the retained triples into a temporally evolving graph, guided by confidence scores and timestamps to reinforce recurring knowledge and resolve conflicts. The resulting KG contains 156,275 entities and 2,971,384 relational triples. Quality assessments by two SOTA LLMs and three domain experts demonstrate an accuracy approaching 90%, with strong inter-rater agreement. To evaluate downstream utility, we conduct RAG across seven medical question answering benchmarks using five leading LLMs, consistently observing significant improvements over non-augmented baselines. Case studies further demonstrate the KG's value in literature-based drug repurposing via confidence-aware causal inference.

  • 13 authors
·
Aug 17, 2025

AGENTiGraph: An Interactive Knowledge Graph Platform for LLM-based Chatbots Utilizing Private Data

Large Language Models~(LLMs) have demonstrated capabilities across various applications but face challenges such as hallucination, limited reasoning abilities, and factual inconsistencies, especially when tackling complex, domain-specific tasks like question answering~(QA). While Knowledge Graphs~(KGs) have been shown to help mitigate these issues, research on the integration of LLMs with background KGs remains limited. In particular, user accessibility and the flexibility of the underlying KG have not been thoroughly explored. We introduce AGENTiGraph (Adaptive Generative ENgine for Task-based Interaction and Graphical Representation), a platform for knowledge management through natural language interaction. It integrates knowledge extraction, integration, and real-time visualization. AGENTiGraph employs a multi-agent architecture to dynamically interpret user intents, manage tasks, and integrate new knowledge, ensuring adaptability to evolving user requirements and data contexts. Our approach demonstrates superior performance in knowledge graph interactions, particularly for complex domain-specific tasks. Experimental results on a dataset of 3,500 test cases show AGENTiGraph significantly outperforms state-of-the-art zero-shot baselines, achieving 95.12\% accuracy in task classification and 90.45\% success rate in task execution. User studies corroborate its effectiveness in real-world scenarios. To showcase versatility, we extended AGENTiGraph to legislation and healthcare domains, constructing specialized KGs capable of answering complex queries in legal and medical contexts.

  • 13 authors
·
Oct 15, 2024

Comparison of biomedical relationship extraction methods and models for knowledge graph creation

Biomedical research is growing at such an exponential pace that scientists, researchers, and practitioners are no more able to cope with the amount of published literature in the domain. The knowledge presented in the literature needs to be systematized in such a way that claims and hypotheses can be easily found, accessed, and validated. Knowledge graphs can provide such a framework for semantic knowledge representation from literature. However, in order to build a knowledge graph, it is necessary to extract knowledge as relationships between biomedical entities and normalize both entities and relationship types. In this paper, we present and compare few rule-based and machine learning-based (Naive Bayes, Random Forests as examples of traditional machine learning methods and DistilBERT, PubMedBERT, T5 and SciFive-based models as examples of modern deep learning transformers) methods for scalable relationship extraction from biomedical literature, and for the integration into the knowledge graphs. We examine how resilient are these various methods to unbalanced and fairly small datasets. Our experiments show that transformer-based models handle well both small (due to pre-training on a large dataset) and unbalanced datasets. The best performing model was the PubMedBERT-based model fine-tuned on balanced data, with a reported F1-score of 0.92. DistilBERT-based model followed with F1-score of 0.89, performing faster and with lower resource requirements. BERT-based models performed better then T5-based generative models.

  • 2 authors
·
Jan 5, 2022

A Retrieve-and-Read Framework for Knowledge Graph Link Prediction

Knowledge graph (KG) link prediction aims to infer new facts based on existing facts in the KG. Recent studies have shown that using the graph neighborhood of a node via graph neural networks (GNNs) provides more useful information compared to just using the query information. Conventional GNNs for KG link prediction follow the standard message-passing paradigm on the entire KG, which leads to superfluous computation, over-smoothing of node representations, and also limits their expressive power. On a large scale, it becomes computationally expensive to aggregate useful information from the entire KG for inference. To address the limitations of existing KG link prediction frameworks, we propose a novel retrieve-and-read framework, which first retrieves a relevant subgraph context for the query and then jointly reasons over the context and the query with a high-capacity reader. As part of our exemplar instantiation for the new framework, we propose a novel Transformer-based GNN as the reader, which incorporates graph-based attention structure and cross-attention between query and context for deep fusion. This simple yet effective design enables the model to focus on salient context information relevant to the query. Empirical results on two standard KG link prediction datasets demonstrate the competitive performance of the proposed method. Furthermore, our analysis yields valuable insights for designing improved retrievers within the framework.

  • 5 authors
·
Dec 19, 2022

HealthGenie: Empowering Users with Healthy Dietary Guidance through Knowledge Graph and Large Language Models

Seeking dietary guidance often requires navigating complex professional knowledge while accommodating individual health conditions. Knowledge Graphs (KGs) offer structured and interpretable nutritional information, whereas Large Language Models (LLMs) naturally facilitate conversational recommendation delivery. In this paper, we present HealthGenie, an interactive system that combines the strengths of LLMs and KGs to provide personalized dietary recommendations along with hierarchical information visualization for a quick and intuitive overview. Upon receiving a user query, HealthGenie performs query refinement and retrieves relevant information from a pre-built KG. The system then visualizes and highlights pertinent information, organized by defined categories, while offering detailed, explainable recommendation rationales. Users can further tailor these recommendations by adjusting preferences interactively. Our evaluation, comprising a within-subject comparative experiment and an open-ended discussion, demonstrates that HealthGenie effectively supports users in obtaining personalized dietary guidance based on their health conditions while reducing interaction effort and cognitive load. These findings highlight the potential of LLM-KG integration in supporting decision-making through explainable and visualized information. We examine the system's usefulness and effectiveness with an N=12 within-subject study and provide design considerations for future systems that integrate conversational LLM and KG.

  • 9 authors
·
Apr 20, 2025

DeepEvidence: Empowering Biomedical Discovery with Deep Knowledge Graph Research

Biomedical knowledge graphs (KGs) encode vast, heterogeneous information spanning literature, genes, pathways, drugs, diseases, and clinical trials, but leveraging them collectively for scientific discovery remains difficult. Their structural differences, continual evolution, and limited cross-resource alignment require substantial manual integration, limiting the depth and scale of knowledge exploration. We introduce DeepEvidence, an AI-agent framework designed to perform Deep Research across various heterogeneous biomedical KGs. Unlike generic Deep Research systems that rely primarily on internet-scale text, DeepEvidence incorporates specialized knowledge-graph tooling and coordinated exploration strategies to systematically bridge heterogeneous resources. At its core is an orchestrator that directs two complementary agents: Breadth-First ReSearch (BFRS) for broad, multi-graph entity search, and Depth-First ReSearch (DFRS) for multi-hop, evidence-focused reasoning. An internal, incrementally built evidence graph provides a structured record of retrieved entities, relations, and supporting evidence. To operate at scale, DeepEvidence includes unified interfaces for querying diverse biomedical APIs and an execution sandbox that enables programmatic data retrieval, extraction, and analysis. Across established deep-reasoning benchmarks and four key stages of the biomedical discovery lifecycle: drug discovery, pre-clinical experimentation, clinical trial development, and evidence-based medicine, DeepEvidence demonstrates substantial gains in systematic exploration and evidence synthesis. These results highlight the potential of knowledge-graph-driven Deep Research to accelerate biomedical discovery.

  • 8 authors
·
Dec 22, 2025

Higher-Order Knowledge Representations for Agentic Scientific Reasoning

Scientific inquiry requires systems-level reasoning that integrates heterogeneous experimental data, cross-domain knowledge, and mechanistic evidence into coherent explanations. While Large Language Models (LLMs) offer inferential capabilities, they often depend on retrieval-augmented contexts that lack structural depth. Traditional Knowledge Graphs (KGs) attempt to bridge this gap, yet their pairwise constraints fail to capture the irreducible higher-order interactions that govern emergent physical behavior. To address this, we introduce a methodology for constructing hypergraph-based knowledge representations that faithfully encode multi-entity relationships. Applied to a corpus of ~1,100 manuscripts on biocomposite scaffolds, our framework constructs a global hypergraph of 161,172 nodes and 320,201 hyperedges, revealing a scale-free topology (power law exponent ~1.23) organized around highly connected conceptual hubs. This representation prevents the combinatorial explosion typical of pairwise expansions and explicitly preserves the co-occurrence context of scientific formulations. We further demonstrate that equipping agentic systems with hypergraph traversal tools, specifically using node-intersection constraints, enables them to bridge semantically distant concepts. By exploiting these higher-order pathways, the system successfully generates grounded mechanistic hypotheses for novel composite materials, such as linking cerium oxide to PCL scaffolds via chitosan intermediates. This work establishes a "teacherless" agentic reasoning system where hypergraph topology acts as a verifiable guardrail, accelerating scientific discovery by uncovering relationships obscured by traditional graph methods.

  • 2 authors
·
Jan 8

Decoding on Graphs: Faithful and Sound Reasoning on Knowledge Graphs through Generation of Well-Formed Chains

Knowledge Graphs (KGs) can serve as reliable knowledge sources for question answering (QA) due to their structured representation of knowledge. Existing research on the utilization of KG for large language models (LLMs) prevalently relies on subgraph retriever or iterative prompting, overlooking the potential synergy of LLMs' step-wise reasoning capabilities and KGs' structural nature. In this paper, we present DoG (Decoding on Graphs), a novel framework that facilitates a deep synergy between LLMs and KGs. We first define a concept, well-formed chain, which consists of a sequence of interrelated fact triplets on the KGs, starting from question entities and leading to answers. We argue that this concept can serve as a principle for making faithful and sound reasoning for KGQA. To enable LLMs to generate well-formed chains, we propose graph-aware constrained decoding, in which a constraint derived from the topology of the KG regulates the decoding process of the LLMs. This constrained decoding method ensures the generation of well-formed chains while making full use of the step-wise reasoning capabilities of LLMs. Based on the above, DoG, a training-free approach, is able to provide faithful and sound reasoning trajectories grounded on the KGs. Experiments across various KGQA tasks with different background KGs demonstrate that DoG achieves superior and robust performance. DoG also shows general applicability with various open-source LLMs.

  • 6 authors
·
Oct 24, 2024

Analyzing Knowledge Graph Embedding Methods from a Multi-Embedding Interaction Perspective

Knowledge graph is a popular format for representing knowledge, with many applications to semantic search engines, question-answering systems, and recommender systems. Real-world knowledge graphs are usually incomplete, so knowledge graph embedding methods, such as Canonical decomposition/Parallel factorization (CP), DistMult, and ComplEx, have been proposed to address this issue. These methods represent entities and relations as embedding vectors in semantic space and predict the links between them. The embedding vectors themselves contain rich semantic information and can be used in other applications such as data analysis. However, mechanisms in these models and the embedding vectors themselves vary greatly, making it difficult to understand and compare them. Given this lack of understanding, we risk using them ineffectively or incorrectly, particularly for complicated models, such as CP, with two role-based embedding vectors, or the state-of-the-art ComplEx model, with complex-valued embedding vectors. In this paper, we propose a multi-embedding interaction mechanism as a new approach to uniting and generalizing these models. We derive them theoretically via this mechanism and provide empirical analyses and comparisons between them. We also propose a new multi-embedding model based on quaternion algebra and show that it achieves promising results using popular benchmarks. Source code is available on GitHub at https://github.com/tranhungnghiep/AnalyzeKGE.

  • 2 authors
·
Apr 24, 2023

Graphusion: A RAG Framework for Knowledge Graph Construction with a Global Perspective

Knowledge Graphs (KGs) are crucial in the field of artificial intelligence and are widely used in downstream tasks, such as question-answering (QA). The construction of KGs typically requires significant effort from domain experts. Large Language Models (LLMs) have recently been used for Knowledge Graph Construction (KGC). However, most existing approaches focus on a local perspective, extracting knowledge triplets from individual sentences or documents, missing a fusion process to combine the knowledge in a global KG. This work introduces Graphusion, a zero-shot KGC framework from free text. It contains three steps: in Step 1, we extract a list of seed entities using topic modeling to guide the final KG includes the most relevant entities; in Step 2, we conduct candidate triplet extraction using LLMs; in Step 3, we design the novel fusion module that provides a global view of the extracted knowledge, incorporating entity merging, conflict resolution, and novel triplet discovery. Results show that Graphusion achieves scores of 2.92 and 2.37 out of 3 for entity extraction and relation recognition, respectively. Moreover, we showcase how Graphusion could be applied to the Natural Language Processing (NLP) domain and validate it in an educational scenario. Specifically, we introduce TutorQA, a new expert-verified benchmark for QA, comprising six tasks and a total of 1,200 QA pairs. Using the Graphusion-constructed KG, we achieve a significant improvement on the benchmark, for example, a 9.2% accuracy improvement on sub-graph completion.

  • 10 authors
·
Oct 23, 2024

The Mechanism Matters: When Knowledge Graphs Help Reinforcement Learning

Knowledge graphs (KGs) are widely used to inject prior knowledge into reinforcement learning (RL), yet the literature is dominated by single-domain, positive-result method papers, so we lack a systematic account of when KG structure helps an agent, when it is neutral, and when it hurts. We conduct a controlled study that independently varies the RL task, the injection mechanism (state features, action masking, or potential-based reward shaping), and KG quality. Using a synthetic, fully controllable KG over MiniGrid environments, we report three findings. First, on compositional sparse-reward tasks structured KG guidance improves sample efficiency and solve reliability (70% to 97% of seeds), and a shuffle control that permutes the KG's edges while preserving their count collapses the benefit toward baseline (masking p=0.0001; shaping p=0.006), so the gain is structural rather than generic regularization. Second, KG value scales with the amount of task-relevant knowledge the graph contains. Third, and most consequential, safety depends on the mechanism: soft, optimality-preserving injection benefits from correct knowledge and harmlessly ignores incorrect knowledge, whereas hard masking is brittle, forbidding essential actions when the KG is incomplete or corrupted and making a wrong KG worse than none. A UMLS-derived clinical case study on sepsis management under offline RL is a careful null, underscoring that benefits require task structure the chosen mechanism can exploit. Our results give practitioners concrete guidance on how, and how much, to trust a KG when using it to guide RL.

  • 1 authors
·
Jul 20

Accelerating Scientific Discovery with Generative Knowledge Extraction, Graph-Based Representation, and Multimodal Intelligent Graph Reasoning

Leveraging generative Artificial Intelligence (AI), we have transformed a dataset comprising 1,000 scientific papers into an ontological knowledge graph. Through an in-depth structural analysis, we have calculated node degrees, identified communities and connectivities, and evaluated clustering coefficients and betweenness centrality of pivotal nodes, uncovering fascinating knowledge architectures. The graph has an inherently scale-free nature, is highly connected, and can be used for graph reasoning by taking advantage of transitive and isomorphic properties that reveal unprecedented interdisciplinary relationships that can be used to answer queries, identify gaps in knowledge, propose never-before-seen material designs, and predict material behaviors. We compute deep node embeddings for combinatorial node similarity ranking for use in a path sampling strategy links dissimilar concepts that have previously not been related. One comparison revealed structural parallels between biological materials and Beethoven's 9th Symphony, highlighting shared patterns of complexity through isomorphic mapping. In another example, the algorithm proposed a hierarchical mycelium-based composite based on integrating path sampling with principles extracted from Kandinsky's 'Composition VII' painting. The resulting material integrates an innovative set of concepts that include a balance of chaos/order, adjustable porosity, mechanical strength, and complex patterned chemical functionalization. We uncover other isomorphisms across science, technology and art, revealing a nuanced ontology of immanence that reveal a context-dependent heterarchical interplay of constituents. Graph-based generative AI achieves a far higher degree of novelty, explorative capacity, and technical detail, than conventional approaches and establishes a widely useful framework for innovation by revealing hidden connections.

  • 1 authors
·
Mar 18, 2024

K12-KGraph: A Curriculum-Aligned Knowledge Graph for Benchmarking and Training Educational LLMs

Large language models are increasingly used in K-12 education, but existing benchmarks mainly test exam question answering rather than understanding how curriculum knowledge is structured and visually presented. We call this capability curriculum cognition. It covers prerequisite chains, concept taxonomies, experiment-concept links, pedagogical sequencing, and visual grounding. We introduce K12-KGraph, a curriculum-aligned knowledge graph extracted from official People's Education Press textbooks in mathematics, physics, chemistry, and biology across primary, middle, and high school. It contains nine node types and fourteen relation types covering curriculum structure and visual grounding. From this graph, we derive K12-Bench, a 23,640-question multi-select benchmark with five task families: Ground, Prereq, Neighbor, Evidence, and Locate. We also build K12-Train, a graph-guided supervised fine-tuning corpus of 7,335 samples, including 2,267 text-only QA pairs and 5,068 multimodal VQA pairs. On K12-Bench, Gemini-3-Flash achieves only 57 percent exact match and Gemma-4-31B-IT reaches 46 percent, with Prereq and Neighbor being the hardest tasks. Our training experiments show that domain-specific supervision can reduce this gap. Under a matched 2,300-sample budget, K12-Train-Text consistently outperforms equally sized subsets of eight mainstream instruction-tuning corpora on GaokaoBench and EduEval. For vision-language models, K12-Train-Full achieves the best overall results on Gaokao-MM, MDK12-medium, and K12Vista among all compared training configurations, despite using fewer samples than the full DataFlow and WizardLM baselines. It also surpasses both text-only and multimodal-only variants, showing that textual and visual supervision are complementary. We release the graph, benchmark, training data, and complete construction pipeline.

Intern-Atlas: A Methodological Evolution Graph as Research Infrastructure for AI Scientists

Existing research infrastructure is fundamentally document-centric, providing citation links between papers but lacking explicit representations of methodological evolution. In particular, it does not capture the structured relationships that explain how and why research methods emerge, adapt, and build upon one another. With the rise of AI-driven research agents as a new class of consumers of scientific knowledge, this limitation becomes increasingly consequential, as such agents cannot reliably reconstruct method evolution topologies from unstructured text. We introduce Intern-Atlas, a methodological evolution graph that automatically identifies method-level entities, infers lineage relationships among methodologies, and captures the bottlenecks that drive transitions between successive innovations. Built from 1,030,314 papers spanning AI conferences, journals, and arXiv preprints, the resulting graph comprises 9,410,201 semantically typed edges, each grounded in verbatim source evidence, forming a queryable causal network of methodological development. To operationalize this structure, we further propose a self-guided temporal tree search algorithm for constructing evolution chains that trace the progression of methods over time. We evaluate the quality of the resulting graph against expert-curated ground-truth evolution chains and observe strong alignment. In addition, we demonstrate that Intern-Atlas enables downstream applications in idea evaluation and automated idea generation. We position methodological evolution graphs as a foundational data layer for the emerging automated scientific discovery.

  • 13 authors
·
Apr 29 4

Conditional Attention Networks for Distilling Knowledge Graphs in Recommendation

Knowledge graph is generally incorporated into recommender systems to improve overall performance. Due to the generalization and scale of the knowledge graph, most knowledge relationships are not helpful for a target user-item prediction. To exploit the knowledge graph to capture target-specific knowledge relationships in recommender systems, we need to distill the knowledge graph to reserve the useful information and refine the knowledge to capture the users' preferences. To address the issues, we propose Knowledge-aware Conditional Attention Networks (KCAN), which is an end-to-end model to incorporate knowledge graph into a recommender system. Specifically, we use a knowledge-aware attention propagation manner to obtain the node representation first, which captures the global semantic similarity on the user-item network and the knowledge graph. Then given a target, i.e., a user-item pair, we automatically distill the knowledge graph into the target-specific subgraph based on the knowledge-aware attention. Afterward, by applying a conditional attention aggregation on the subgraph, we refine the knowledge graph to obtain target-specific node representations. Therefore, we can gain both representability and personalization to achieve overall performance. Experimental results on real-world datasets demonstrate the effectiveness of our framework over the state-of-the-art algorithms.

  • 7 authors
·
Nov 3, 2021

Inductive Entity Representations from Text via Link Prediction

Knowledge Graphs (KG) are of vital importance for multiple applications on the web, including information retrieval, recommender systems, and metadata annotation. Regardless of whether they are built manually by domain experts or with automatic pipelines, KGs are often incomplete. Recent work has begun to explore the use of textual descriptions available in knowledge graphs to learn vector representations of entities in order to preform link prediction. However, the extent to which these representations learned for link prediction generalize to other tasks is unclear. This is important given the cost of learning such representations. Ideally, we would prefer representations that do not need to be trained again when transferring to a different task, while retaining reasonable performance. In this work, we propose a holistic evaluation protocol for entity representations learned via a link prediction objective. We consider the inductive link prediction and entity classification tasks, which involve entities not seen during training. We also consider an information retrieval task for entity-oriented search. We evaluate an architecture based on a pretrained language model, that exhibits strong generalization to entities not observed during training, and outperforms related state-of-the-art methods (22% MRR improvement in link prediction on average). We further provide evidence that the learned representations transfer well to other tasks without fine-tuning. In the entity classification task we obtain an average improvement of 16% in accuracy compared with baselines that also employ pre-trained models. In the information retrieval task, we obtain significant improvements of up to 8.8% in NDCG@10 for natural language queries. We thus show that the learned representations are not limited KG-specific tasks, and have greater generalization properties than evaluated in previous work.

  • 3 authors
·
Oct 7, 2020

Measuring Graph-to-Graph Semantic Similarity in Knowledge Graphs: An Empirical Evaluation of Knowledge Graph Embeddings

A Knowledge Graph (KG) represents facts as structured triples and is widely used to organize relational knowledge across diverse domains. Just as textual information ranges from words and sentences to complete documents, KG information can be interpreted at multiple levels, from entities, relations, and triples to subgraphs and entire KGs. However, existing KG embedding methods mainly focus on entities, relations, and triples, leaving graph-level semantics largely unaddressed. Conventional graph-level methods, which typically compare graphs based on structural patterns, are also insufficient because structural similarity alone cannot guarantee semantic similarity between KGs. To evaluate how well different methods capture such graph-level semantic information, we study graph-to-graph semantic similarity, which determines whether a pair of KGs represents semantically corresponding underlying information. To obtain reliable ground-truth correspondences, we construct a semantic matching dataset by modifying text documents, extracting KGs from both original and modified documents, and transferring their known correspondences to KG pairs. We compare text-based, structure-based, and KG embedding-based approaches on each dataset. For the KG embedding-based approach, we introduce two scoring functions: EmbPairSim, which uses maximal pairwise entity similarity, and AvgEmbSim, which uses a frequency-weighted centroid. Experiments on WikiText-2 and CC-News show that EmbPairSim achieves up to 5.3 pp higher MRR than Sentence-BERT while using substantially fewer parameters. These results suggest that KGE representations can serve as compact and effective signals for graph-to-graph semantic similarity in KGs. Our code is available at https://github.com/SeungRyeolBaek/KG-to-KG-Semantic-Similarity.

  • 3 authors
·
Jun 29

Knowledge Graph in Astronomical Research with Large Language Models: Quantifying Driving Forces in Interdisciplinary Scientific Discovery

Identifying and predicting the factors that contribute to the success of interdisciplinary research is crucial for advancing scientific discovery. However, there is a lack of methods to quantify the integration of new ideas and technological advancements in astronomical research and how these new technologies drive further scientific breakthroughs. Large language models, with their ability to extract key concepts from vast literature beyond keyword searches, provide a new tool to quantify such processes. In this study, we extracted concepts in astronomical research from 297,807 publications between 1993 and 2024 using large language models, resulting in a set of 24,939 concepts. These concepts were then used to form a knowledge graph, where the link strength between any two concepts was determined by their relevance through the citation-reference relationships. By calculating this relevance across different time periods, we quantified the impact of numerical simulations and machine learning on astronomical research. The knowledge graph demonstrates two phases of development: a phase where the technology was integrated and another where the technology was explored in scientific discovery. The knowledge graph reveals that despite machine learning has made much inroad in astronomy, there is currently a lack of new concept development at the intersection of AI and Astronomy, which may be the current bottleneck preventing machine learning from further transforming the field of astronomy.

  • 6 authors
·
Jun 3, 2024

AceMap: Knowledge Discovery through Academic Graph

The exponential growth of scientific literature requires effective management and extraction of valuable insights. While existing scientific search engines excel at delivering search results based on relational databases, they often neglect the analysis of collaborations between scientific entities and the evolution of ideas, as well as the in-depth analysis of content within scientific publications. The representation of heterogeneous graphs and the effective measurement, analysis, and mining of such graphs pose significant challenges. To address these challenges, we present AceMap, an academic system designed for knowledge discovery through academic graph. We present advanced database construction techniques to build the comprehensive AceMap database with large-scale academic entities that contain rich visual, textual, and numerical information. AceMap also employs innovative visualization, quantification, and analysis methods to explore associations and logical relationships among academic entities. AceMap introduces large-scale academic network visualization techniques centered on nebular graphs, providing a comprehensive view of academic networks from multiple perspectives. In addition, AceMap proposes a unified metric based on structural entropy to quantitatively measure the knowledge content of different academic entities. Moreover, AceMap provides advanced analysis capabilities, including tracing the evolution of academic ideas through citation relationships and concept co-occurrence, and generating concise summaries informed by this evolutionary process. In addition, AceMap uses machine reading methods to generate potential new ideas at the intersection of different fields. Exploring the integration of large language models and knowledge graphs is a promising direction for future research in idea evolution. Please visit https://www.acemap.info for further exploration.

  • 26 authors
·
Mar 4, 2024

Does Pre-trained Language Model Actually Infer Unseen Links in Knowledge Graph Completion?

Knowledge graphs (KGs) consist of links that describe relationships between entities. Due to the difficulty of manually enumerating all relationships between entities, automatically completing them is essential for KGs. Knowledge Graph Completion (KGC) is a task that infers unseen relationships between entities in a KG. Traditional embedding-based KGC methods, such as RESCAL, TransE, DistMult, ComplEx, RotatE, HAKE, HousE, etc., infer missing links using only the knowledge from training data. In contrast, the recent Pre-trained Language Model (PLM)-based KGC utilizes knowledge obtained during pre-training. Therefore, PLM-based KGC can estimate missing links between entities by reusing memorized knowledge from pre-training without inference. This approach is problematic because building KGC models aims to infer unseen links between entities. However, conventional evaluations in KGC do not consider inference and memorization abilities separately. Thus, a PLM-based KGC method, which achieves high performance in current KGC evaluations, may be ineffective in practical applications. To address this issue, we analyze whether PLM-based KGC methods make inferences or merely access memorized knowledge. For this purpose, we propose a method for constructing synthetic datasets specified in this analysis and conclude that PLMs acquire the inference abilities required for KGC through pre-training, even though the performance improvements mostly come from textual information of entities and relations.

  • 4 authors
·
Nov 15, 2023

A Survey on Self-Supervised Graph Foundation Models: Knowledge-Based Perspective

Graph self-supervised learning (SSL) is now a go-to method for pre-training graph foundation models (GFMs). There is a wide variety of knowledge patterns embedded in the graph data, such as node properties and clusters, which are crucial to learning generalized representations for GFMs. However, existing surveys of GFMs have several shortcomings: they lack comprehensiveness regarding the most recent progress, have unclear categorization of self-supervised methods, and take a limited architecture-based perspective that is restricted to only certain types of graph models. As the ultimate goal of GFMs is to learn generalized graph knowledge, we provide a comprehensive survey of self-supervised GFMs from a novel knowledge-based perspective. We propose a knowledge-based taxonomy, which categorizes self-supervised graph models by the specific graph knowledge utilized. Our taxonomy consists of microscopic (nodes, links, etc.), mesoscopic (context, clusters, etc.), and macroscopic knowledge (global structure, manifolds, etc.). It covers a total of 9 knowledge categories and more than 25 pretext tasks for pre-training GFMs, as well as various downstream task generalization strategies. Such a knowledge-based taxonomy allows us to re-examine graph models based on new architectures more clearly, such as graph language models, as well as provide more in-depth insights for constructing GFMs.

  • 6 authors
·
May 5, 2025

BertNet: Harvesting Knowledge Graphs with Arbitrary Relations from Pretrained Language Models

It is crucial to automatically construct knowledge graphs (KGs) of diverse new relations to support knowledge discovery and broad applications. Previous KG construction methods, based on either crowdsourcing or text mining, are often limited to a small predefined set of relations due to manual cost or restrictions in text corpus. Recent research proposed to use pretrained language models (LMs) as implicit knowledge bases that accept knowledge queries with prompts. Yet, the implicit knowledge lacks many desirable properties of a full-scale symbolic KG, such as easy access, navigation, editing, and quality assurance. In this paper, we propose a new approach of harvesting massive KGs of arbitrary relations from pretrained LMs. With minimal input of a relation definition (a prompt and a few shot of example entity pairs), the approach efficiently searches in the vast entity pair space to extract diverse accurate knowledge of the desired relation. We develop an effective search-and-rescore mechanism for improved efficiency and accuracy. We deploy the approach to harvest KGs of over 400 new relations from different LMs. Extensive human and automatic evaluations show our approach manages to extract diverse accurate knowledge, including tuples of complex relations (e.g., "A is capable of but not good at B"). The resulting KGs as a symbolic interpretation of the source LMs also reveal new insights into the LMs' knowledge capacities.

  • 8 authors
·
Jun 28, 2022

Benchmarking Large Language Models for Knowledge Graph Validation

Knowledge Graphs (KGs) store structured factual knowledge by linking entities through relationships, crucial for many applications. These applications depend on the KG's factual accuracy, so verifying facts is essential, yet challenging. Expert manual verification is ideal but impractical on a large scale. Automated methods show promise but are not ready for real-world KGs. Large Language Models (LLMs) offer potential with their semantic understanding and knowledge access, yet their suitability and effectiveness for KG fact validation remain largely unexplored. In this paper, we introduce FactCheck, a benchmark designed to evaluate LLMs for KG fact validation across three key dimensions: (1) LLMs internal knowledge; (2) external evidence via Retrieval-Augmented Generation (RAG); and (3) aggregated knowledge employing a multi-model consensus strategy. We evaluated open-source and commercial LLMs on three diverse real-world KGs. FactCheck also includes a RAG dataset with 2+ million documents tailored for KG fact validation. Additionally, we offer an interactive exploration platform for analyzing verification decisions. The experimental analyses demonstrate that while LLMs yield promising results, they are still not sufficiently stable and reliable to be used in real-world KG validation scenarios. Integrating external evidence through RAG methods yields fluctuating performance, providing inconsistent improvements over more streamlined approaches -- at higher computational costs. Similarly, strategies based on multi-model consensus do not consistently outperform individual models, underscoring the lack of a one-fits-all solution. These findings further emphasize the need for a benchmark like FactCheck to systematically evaluate and drive progress on this difficult yet crucial task.

FactCheck-AI Fact Check
·
Feb 11 2

GNN-RAG: Graph Neural Retrieval for Large Language Model Reasoning

Knowledge Graphs (KGs) represent human-crafted factual knowledge in the form of triplets (head, relation, tail), which collectively form a graph. Question Answering over KGs (KGQA) is the task of answering natural questions grounding the reasoning to the information provided by the KG. Large Language Models (LLMs) are the state-of-the-art models for QA tasks due to their remarkable ability to understand natural language. On the other hand, Graph Neural Networks (GNNs) have been widely used for KGQA as they can handle the complex graph information stored in the KG. In this work, we introduce GNN-RAG, a novel method for combining language understanding abilities of LLMs with the reasoning abilities of GNNs in a retrieval-augmented generation (RAG) style. First, a GNN reasons over a dense KG subgraph to retrieve answer candidates for a given question. Second, the shortest paths in the KG that connect question entities and answer candidates are extracted to represent KG reasoning paths. The extracted paths are verbalized and given as input for LLM reasoning with RAG. In our GNN-RAG framework, the GNN acts as a dense subgraph reasoner to extract useful graph information, while the LLM leverages its natural language processing ability for ultimate KGQA. Furthermore, we develop a retrieval augmentation (RA) technique to further boost KGQA performance with GNN-RAG. Experimental results show that GNN-RAG achieves state-of-the-art performance in two widely used KGQA benchmarks (WebQSP and CWQ), outperforming or matching GPT-4 performance with a 7B tuned LLM. In addition, GNN-RAG excels on multi-hop and multi-entity questions outperforming competing approaches by 8.9--15.5% points at answer F1.

  • 2 authors
·
May 30, 2024

Unifying Large Language Models and Knowledge Graphs: A Roadmap

Large language models (LLMs), such as ChatGPT and GPT4, are making new waves in the field of natural language processing and artificial intelligence, due to their emergent ability and generalizability. However, LLMs are black-box models, which often fall short of capturing and accessing factual knowledge. In contrast, Knowledge Graphs (KGs), Wikipedia and Huapu for example, are structured knowledge models that explicitly store rich factual knowledge. KGs can enhance LLMs by providing external knowledge for inference and interpretability. Meanwhile, KGs are difficult to construct and evolving by nature, which challenges the existing methods in KGs to generate new facts and represent unseen knowledge. Therefore, it is complementary to unify LLMs and KGs together and simultaneously leverage their advantages. In this article, we present a forward-looking roadmap for the unification of LLMs and KGs. Our roadmap consists of three general frameworks, namely, 1) KG-enhanced LLMs, which incorporate KGs during the pre-training and inference phases of LLMs, or for the purpose of enhancing understanding of the knowledge learned by LLMs; 2) LLM-augmented KGs, that leverage LLMs for different KG tasks such as embedding, completion, construction, graph-to-text generation, and question answering; and 3) Synergized LLMs + KGs, in which LLMs and KGs play equal roles and work in a mutually beneficial way to enhance both LLMs and KGs for bidirectional reasoning driven by both data and knowledge. We review and summarize existing efforts within these three frameworks in our roadmap and pinpoint their future research directions.

  • 6 authors
·
Jun 14, 2023

COMET-ATOMIC 2020: On Symbolic and Neural Commonsense Knowledge Graphs

Recent years have brought about a renewed interest in commonsense representation and reasoning in the field of natural language understanding. The development of new commonsense knowledge graphs (CSKG) has been central to these advances as their diverse facts can be used and referenced by machine learning models for tackling new and challenging tasks. At the same time, there remain questions about the quality and coverage of these resources due to the massive scale required to comprehensively encompass general commonsense knowledge. In this work, we posit that manually constructed CSKGs will never achieve the coverage necessary to be applicable in all situations encountered by NLP agents. Therefore, we propose a new evaluation framework for testing the utility of KGs based on how effectively implicit knowledge representations can be learned from them. With this new goal, we propose ATOMIC 2020, a new CSKG of general-purpose commonsense knowledge containing knowledge that is not readily available in pretrained language models. We evaluate its properties in comparison with other leading CSKGs, performing the first large-scale pairwise study of commonsense knowledge resources. Next, we show that ATOMIC 2020 is better suited for training knowledge models that can generate accurate, representative knowledge for new, unseen entities and events. Finally, through human evaluation, we show that the few-shot performance of GPT-3 (175B parameters), while impressive, remains ~12 absolute points lower than a BART-based knowledge model trained on ATOMIC 2020 despite using over 430x fewer parameters.

  • 7 authors
·
Dec 15, 2021

Deep Bidirectional Language-Knowledge Graph Pretraining

Pretraining a language model (LM) on text has been shown to help various downstream NLP tasks. Recent works show that a knowledge graph (KG) can complement text data, offering structured background knowledge that provides a useful scaffold for reasoning. However, these works are not pretrained to learn a deep fusion of the two modalities at scale, limiting the potential to acquire fully joint representations of text and KG. Here we propose DRAGON (Deep Bidirectional Language-Knowledge Graph Pretraining), a self-supervised approach to pretraining a deeply joint language-knowledge foundation model from text and KG at scale. Specifically, our model takes pairs of text segments and relevant KG subgraphs as input and bidirectionally fuses information from both modalities. We pretrain this model by unifying two self-supervised reasoning tasks, masked language modeling and KG link prediction. DRAGON outperforms existing LM and LM+KG models on diverse downstream tasks including question answering across general and biomedical domains, with +5% absolute gain on average. In particular, DRAGON achieves notable performance on complex reasoning about language and knowledge (+10% on questions involving long contexts or multi-step reasoning) and low-resource QA (+8% on OBQA and RiddleSense), and new state-of-the-art results on various BioNLP tasks. Our code and trained models are available at https://github.com/michiyasunaga/dragon.

  • 7 authors
·
Oct 17, 2022

Docs2KG: Unified Knowledge Graph Construction from Heterogeneous Documents Assisted by Large Language Models

Even for a conservative estimate, 80% of enterprise data reside in unstructured files, stored in data lakes that accommodate heterogeneous formats. Classical search engines can no longer meet information seeking needs, especially when the task is to browse and explore for insight formulation. In other words, there are no obvious search keywords to use. Knowledge graphs, due to their natural visual appeals that reduce the human cognitive load, become the winning candidate for heterogeneous data integration and knowledge representation. In this paper, we introduce Docs2KG, a novel framework designed to extract multimodal information from diverse and heterogeneous unstructured documents, including emails, web pages, PDF files, and Excel files. Dynamically generates a unified knowledge graph that represents the extracted key information, Docs2KG enables efficient querying and exploration of document data lakes. Unlike existing approaches that focus on domain-specific data sources or pre-designed schemas, Docs2KG offers a flexible and extensible solution that can adapt to various document structures and content types. The proposed framework unifies data processing supporting a multitude of downstream tasks with improved domain interpretability. Docs2KG is publicly accessible at https://docs2kg.ai4wa.com, and a demonstration video is available at https://docs2kg.ai4wa.com/Video.

  • 8 authors
·
Jun 5, 2024

DiffKG: Knowledge Graph Diffusion Model for Recommendation

Knowledge Graphs (KGs) have emerged as invaluable resources for enriching recommendation systems by providing a wealth of factual information and capturing semantic relationships among items. Leveraging KGs can significantly enhance recommendation performance. However, not all relations within a KG are equally relevant or beneficial for the target recommendation task. In fact, certain item-entity connections may introduce noise or lack informative value, thus potentially misleading our understanding of user preferences. To bridge this research gap, we propose a novel knowledge graph diffusion model for recommendation, referred to as DiffKG. Our framework integrates a generative diffusion model with a data augmentation paradigm, enabling robust knowledge graph representation learning. This integration facilitates a better alignment between knowledge-aware item semantics and collaborative relation modeling. Moreover, we introduce a collaborative knowledge graph convolution mechanism that incorporates collaborative signals reflecting user-item interaction patterns, guiding the knowledge graph diffusion process. We conduct extensive experiments on three publicly available datasets, consistently demonstrating the superiority of our DiffKG compared to various competitive baselines. We provide the source code repository of our proposed DiffKG model at the following link: https://github.com/HKUDS/DiffKG.

  • 4 authors
·
Dec 28, 2023

Federated Semantic Knowledge Graphs for Laboratory Workflows: A Structured Expert Elicitation Methodology Demonstrated Through Bioanalytical Workflow Twins

Laboratory workflows in pharmaceutical and biomedical research encode substantial tacit knowledge -- expert judgment about failure conditions, decision branching logic, and contextual dependencies -- that remains inaccessible to protocol documents, sensor streams, and existing biomedical ontologies. We present a repeatable structured expert elicitation methodology and federated Semantic Knowledge Graph (SKG) architecture for capturing and querying this knowledge, demonstrated through deployment at the Biochemical and Cellular Pharmacology Department of Genentech. Knowledge is elicited via the Protocol Intelligence Co-pilot, a purpose-built AI interview agent that applies structured elicitation lenses to surface tacit procedural knowledge with expert-assigned confidence scores, producing graph representations across three tiers: program-level decision milestones, assay protocol knowledge, and physical execution infrastructure. Separately constructed subgraphs, exemplified by immunoassay (ELISA), quantitative mass spectrometry (LC-MS/PRM), and laboratory automation, are aligned through a shared upper ontology and queried as a single federated graph. Evaluation demonstrates seven query types structurally unavailable from any individual data source, including a cross-subgraph traversal that identifies automation-masked silent failures -- conditions where execution logs report success while scientific validity is compromised. Critically, the MASKED_BY graph relationship encodes a class of laboratory risk invisible to current informatics platforms -- the structural gap that prevents existing systems from reasoning about scientific validity. This architecture provides the semantic world model that AI laboratory agents currently lack: a queryable representation of where workflows fail silently, where human judgment is irreplaceable, and which execution assets mask rather than detect failure.

  • 9 authors
·
May 14

The KnowWhereGraph: A Large-Scale Geo-Knowledge Graph for Interdisciplinary Knowledge Discovery and Geo-Enrichment

Global challenges such as food supply chain disruptions, public health crises, and natural hazard responses require access to and integration of diverse datasets, many of which are geospatial. Over the past few years, a growing number of (geo)portals have been developed to address this need. However, most existing (geo)portals are stacked by separated or sparsely connected data "silos" impeding effective data consolidation. A new way of sharing and reusing geospatial data is therefore urgently needed. In this work, we introduce KnowWhereGraph, a knowledge graph-based data integration, enrichment, and synthesis framework that not only includes schemas and data related to human and environmental systems but also provides a suite of supporting tools for accessing this information. The KnowWhereGraph aims to address the challenge of data integration by building a large-scale, cross-domain, pre-integrated, FAIR-principles-based, and AI-ready data warehouse rooted in knowledge graphs. We highlight the design principles of KnowWhereGraph, emphasizing the roles of space, place, and time in bridging various data "silos". Additionally, we demonstrate multiple use cases where the proposed geospatial knowledge graph and its associated tools empower decision-makers to uncover insights that are often hidden within complex and poorly interoperable datasets.

  • 28 authors
·
Feb 19, 2025

Debate on Graph: a Flexible and Reliable Reasoning Framework for Large Language Models

Large Language Models (LLMs) may suffer from hallucinations in real-world applications due to the lack of relevant knowledge. In contrast, knowledge graphs encompass extensive, multi-relational structures that store a vast array of symbolic facts. Consequently, integrating LLMs with knowledge graphs has been extensively explored, with Knowledge Graph Question Answering (KGQA) serving as a critical touchstone for the integration. This task requires LLMs to answer natural language questions by retrieving relevant triples from knowledge graphs. However, existing methods face two significant challenges: excessively long reasoning paths distracting from the answer generation, and false-positive relations hindering the path refinement. In this paper, we propose an iterative interactive KGQA framework that leverages the interactive learning capabilities of LLMs to perform reasoning and Debating over Graphs (DoG). Specifically, DoG employs a subgraph-focusing mechanism, allowing LLMs to perform answer trying after each reasoning step, thereby mitigating the impact of lengthy reasoning paths. On the other hand, DoG utilizes a multi-role debate team to gradually simplify complex questions, reducing the influence of false-positive relations. This debate mechanism ensures the reliability of the reasoning process. Experimental results on five public datasets demonstrate the effectiveness and superiority of our architecture. Notably, DoG outperforms the state-of-the-art method ToG by 23.7\% and 9.1\% in accuracy on WebQuestions and GrailQA, respectively. Furthermore, the integration experiments with various LLMs on the mentioned datasets highlight the flexibility of DoG. Code is available at https://github.com/reml-group/DoG.

  • 11 authors
·
Sep 4, 2024

Agentic Deep Graph Reasoning Yields Self-Organizing Knowledge Networks

We present an agentic, autonomous graph expansion framework that iteratively structures and refines knowledge in situ. Unlike conventional knowledge graph construction methods relying on static extraction or single-pass learning, our approach couples a reasoning-native large language model with a continually updated graph representation. At each step, the system actively generates new concepts and relationships, merges them into a global graph, and formulates subsequent prompts based on its evolving structure. Through this feedback-driven loop, the model organizes information into a scale-free network characterized by hub formation, stable modularity, and bridging nodes that link disparate knowledge clusters. Over hundreds of iterations, new nodes and edges continue to appear without saturating, while centrality measures and shortest path distributions evolve to yield increasingly distributed connectivity. Our analysis reveals emergent patterns, such as the rise of highly connected 'hub' concepts and the shifting influence of 'bridge' nodes, indicating that agentic, self-reinforcing graph construction can yield open-ended, coherent knowledge structures. Applied to materials design problems, we present compositional reasoning experiments by extracting node-specific and synergy-level principles to foster genuinely novel knowledge synthesis, yielding cross-domain ideas that transcend rote summarization and strengthen the framework's potential for open-ended scientific discovery. We discuss other applications in scientific discovery and outline future directions for enhancing scalability and interpretability.

  • 1 authors
·
Feb 18, 2025

Quantum Knowledge Graph: Modeling Context-Dependent Triplet Validity

Knowledge graphs (KGs) are increasingly used to support large lan guage model (LLM) reasoning, but standard triplet-based KGs treat each relation as globally valid. In many settings, whether a relation should count as evidence depends on the context. We therefore formulate triplet validity as a triplet-specific function of context and refer to this formulation as a Quantum Knowledge Graph (QKG). We instantiate QKG in medicine using a diabetes-centered PrimeKG subgraph, whose 68,651 context-sensitive relations are further annotated with patient-group-specific constraints. We evaluate it in a reasoner--validator pipeline for medical question answering on a KG-grounded subset of MedReason containing 2,788 questions. With Haiku-4.5 as both the Reasoner and the Validator, KG-backed validation significantly improves over a no-validator baseline (+0.61 pp), and QKG with context matching yields the largest gain, outperforming both KG validation without context matching (+0.79 pp) and the no-validator baseline (+1.40 pp; paired McNemar, all p<0.05). Under a stronger validator (Qwen-3.6-Plus), the raw QKG gain over the no-validator baseline grows from +1.40 pp to +5.96 pp; the context-matching gap is non-significant (p=0.73) on the raw set but becomes borderline significant (p=0.05) after adjustment for knowledge leakage and suspicious questions, consistent with a benchmark-gold ceiling rather than a QKG limitation. Taken together, the results support the view that the value of a KG in LLM-based clinical reasoning lies not merely in storing medically related facts, but in representing whether those facts are applicable to the specific patient context. For reproducibility and further research, we release the curated QKG datasets and source code.https://github.com/HKAI-Sci/QKG

  • 3 authors
·
Apr 26

Benchmarking Knowledge-driven Zero-shot Learning

External knowledge (a.k.a. side information) plays a critical role in zero-shot learning (ZSL) which aims to predict with unseen classes that have never appeared in training data. Several kinds of external knowledge, such as text and attribute, have been widely investigated, but they alone are limited with incomplete semantics. Some very recent studies thus propose to use Knowledge Graph (KG) due to its high expressivity and compatibility for representing kinds of knowledge. However, the ZSL community is still in short of standard benchmarks for studying and comparing different external knowledge settings and different KG-based ZSL methods. In this paper, we proposed six resources covering three tasks, i.e., zero-shot image classification (ZS-IMGC), zero-shot relation extraction (ZS-RE), and zero-shot KG completion (ZS-KGC). Each resource has a normal ZSL benchmark and a KG containing semantics ranging from text to attribute, from relational knowledge to logical expressions. We have clearly presented these resources including their construction, statistics, data formats and usage cases w.r.t. different ZSL methods. More importantly, we have conducted a comprehensive benchmarking study, with two general and state-of-the-art methods, two setting-specific methods and one interpretable method. We discussed and compared different ZSL paradigms w.r.t. different external knowledge settings, and found that our resources have great potential for developing more advanced ZSL methods and more solutions for applying KGs for augmenting machine learning. All the resources are available at https://github.com/China-UK-ZSL/Resources_for_KZSL.

  • 8 authors
·
Jun 28, 2021

Gene-Metabolite Association Prediction with Interactive Knowledge Transfer Enhanced Graph for Metabolite Production

In the rapidly evolving field of metabolic engineering, the quest for efficient and precise gene target identification for metabolite production enhancement presents significant challenges. Traditional approaches, whether knowledge-based or model-based, are notably time-consuming and labor-intensive, due to the vast scale of research literature and the approximation nature of genome-scale metabolic model (GEM) simulations. Therefore, we propose a new task, Gene-Metabolite Association Prediction based on metabolic graphs, to automate the process of candidate gene discovery for a given pair of metabolite and candidate-associated genes, as well as presenting the first benchmark containing 2474 metabolites and 1947 genes of two commonly used microorganisms Saccharomyces cerevisiae (SC) and Issatchenkia orientalis (IO). This task is challenging due to the incompleteness of the metabolic graphs and the heterogeneity among distinct metabolisms. To overcome these limitations, we propose an Interactive Knowledge Transfer mechanism based on Metabolism Graph (IKT4Meta), which improves the association prediction accuracy by integrating the knowledge from different metabolism graphs. First, to build a bridge between two graphs for knowledge transfer, we utilize Pretrained Language Models (PLMs) with external knowledge of genes and metabolites to help generate inter-graph links, significantly alleviating the impact of heterogeneity. Second, we propagate intra-graph links from different metabolic graphs using inter-graph links as anchors. Finally, we conduct the gene-metabolite association prediction based on the enriched metabolism graphs, which integrate the knowledge from multiple microorganisms. Experiments on both types of organisms demonstrate that our proposed methodology outperforms baselines by up to 12.3% across various link prediction frameworks.

  • 6 authors
·
Oct 24, 2024

Paths-over-Graph: Knowledge Graph Empowered Large Language Model Reasoning

Large Language Models (LLMs) have achieved impressive results in various tasks but struggle with hallucination problems and lack of relevant knowledge, especially in deep complex reasoning and knowledge-intensive tasks. Knowledge Graphs (KGs), which capture vast amounts of facts in a structured format, offer a reliable source of knowledge for reasoning. However, existing KG-based LLM reasoning methods face challenges like handling multi-hop reasoning, multi-entity questions, and effectively utilizing graph structures. To address these issues, we propose Paths-over-Graph (PoG), a novel method that enhances LLM reasoning by integrating knowledge reasoning paths from KGs, improving the interpretability and faithfulness of LLM outputs. PoG tackles multi-hop and multi-entity questions through a three-phase dynamic multi-hop path exploration, which combines the inherent knowledge of LLMs with factual knowledge from KGs. In order to improve the efficiency, PoG prunes irrelevant information from the graph exploration first and introduces efficient three-step pruning techniques that incorporate graph structures, LLM prompting, and a pre-trained language model (e.g., SBERT) to effectively narrow down the explored candidate paths. This ensures all reasoning paths contain highly relevant information captured from KGs, making the reasoning faithful and interpretable in problem-solving. PoG innovatively utilizes graph structure to prune the irrelevant noise and represents the first method to implement multi-entity deep path detection on KGs for LLM reasoning tasks. Comprehensive experiments on five benchmark KGQA datasets demonstrate PoG outperforms the state-of-the-art method ToG across GPT-3.5-Turbo and GPT-4, achieving an average accuracy improvement of 18.9%. Notably, PoG with GPT-3.5-Turbo surpasses ToG with GPT-4 by up to 23.9%.

  • 6 authors
·
Oct 18, 2024

LEMON: LanguagE ModeL for Negative Sampling of Knowledge Graph Embeddings

Knowledge Graph Embedding models have become an important area of machine learning.Those models provide a latent representation of entities and relations in a knowledge graph which can then be used in downstream machine learning tasks such as link prediction. The learning process of such models can be performed by contrasting positive and negative triples. While all triples of a KG are considered positive, negative triples are usually not readily available. Therefore, the choice of the sampling method to obtain the negative triples play a crucial role in the performance and effectiveness of Knowledge Graph Embedding models. Most of the current methods fetch negative samples from a random distribution of entities in the underlying Knowledge Graph which also often includes meaningless triples. Other known methods use adversarial techniques or generative neural networks which consequently reduce the efficiency of the process. In this paper, we propose an approach for generating informative negative samples considering available complementary knowledge about entities. Particularly, Pre-trained Language Models are used to form neighborhood clusters by utilizing the distances between entities to obtain representations of symbolic entities via their textual information. Our comprehensive evaluations demonstrate the effectiveness of the proposed approach on benchmark Knowledge Graphs with textual information for the link prediction task.

  • 5 authors
·
Mar 9, 2022

A Benchmark to Understand the Role of Knowledge Graphs on Large Language Model's Accuracy for Question Answering on Enterprise SQL Databases

Enterprise applications of Large Language Models (LLMs) hold promise for question answering on enterprise SQL databases. However, the extent to which LLMs can accurately respond to enterprise questions in such databases remains unclear, given the absence of suitable Text-to-SQL benchmarks tailored to enterprise settings. Additionally, the potential of Knowledge Graphs (KGs) to enhance LLM-based question answering by providing business context is not well understood. This study aims to evaluate the accuracy of LLM-powered question answering systems in the context of enterprise questions and SQL databases, while also exploring the role of knowledge graphs in improving accuracy. To achieve this, we introduce a benchmark comprising an enterprise SQL schema in the insurance domain, a range of enterprise queries encompassing reporting to metrics, and a contextual layer incorporating an ontology and mappings that define a knowledge graph. Our primary finding reveals that question answering using GPT-4, with zero-shot prompts directly on SQL databases, achieves an accuracy of 16%. Notably, this accuracy increases to 54% when questions are posed over a Knowledge Graph representation of the enterprise SQL database. Therefore, investing in Knowledge Graph provides higher accuracy for LLM powered question answering systems.

  • 3 authors
·
Nov 13, 2023

Graphs Meet AI Agents: Taxonomy, Progress, and Future Opportunities

AI agents have experienced a paradigm shift, from early dominance by reinforcement learning (RL) to the rise of agents powered by large language models (LLMs), and now further advancing towards a synergistic fusion of RL and LLM capabilities. This progression has endowed AI agents with increasingly strong abilities. Despite these advances, to accomplish complex real-world tasks, agents are required to plan and execute effectively, maintain reliable memory, and coordinate smoothly with other agents. Achieving these capabilities involves contending with ever-present intricate information, operations, and interactions. In light of this challenge, data structurization can play a promising role by transforming intricate and disorganized data into well-structured forms that agents can more effectively understand and process. In this context, graphs, with their natural advantage in organizing, managing, and harnessing intricate data relationships, present a powerful data paradigm for structurization to support the capabilities demanded by advanced AI agents. To this end, this survey presents a first systematic review of how graphs can empower AI agents. Specifically, we explore the integration of graph techniques with core agent functionalities, highlight notable applications, and identify prospective avenues for future research. By comprehensively surveying this burgeoning intersection, we hope to inspire the development of next-generation AI agents equipped to tackle increasingly sophisticated challenges with graphs. Related resources are collected and continuously updated for the community in the Github link.

  • 13 authors
·
Jul 3, 2025

Youtu-GraphRAG: Vertically Unified Agents for Graph Retrieval-Augmented Complex Reasoning

Graph retrieval-augmented generation (GraphRAG) has effectively enhanced large language models in complex reasoning by organizing fragmented knowledge into explicitly structured graphs. Prior efforts have been made to improve either graph construction or graph retrieval in isolation, yielding suboptimal performance, especially when domain shifts occur. In this paper, we propose a vertically unified agentic paradigm, Youtu-GraphRAG, to jointly connect the entire framework as an intricate integration. Specifically, (i) a seed graph schema is introduced to bound the automatic extraction agent with targeted entity types, relations and attribute types, also continuously expanded for scalability over unseen domains; (ii) To obtain higher-level knowledge upon the schema, we develop novel dually-perceived community detection, fusing structural topology with subgraph semantics for comprehensive knowledge organization. This naturally yields a hierarchical knowledge tree that supports both top-down filtering and bottom-up reasoning with community summaries; (iii) An agentic retriever is designed to interpret the same graph schema to transform complex queries into tractable and parallel sub-queries. It iteratively performs reflection for more advanced reasoning; (iv) To alleviate the knowledge leaking problem in pre-trained LLM, we propose a tailored anonymous dataset and a novel 'Anonymity Reversion' task that deeply measures the real performance of the GraphRAG frameworks. Extensive experiments across six challenging benchmarks demonstrate the robustness of Youtu-GraphRAG, remarkably moving the Pareto frontier with up to 90.71% saving of token costs and 16.62% higher accuracy over state-of-the-art baselines. The results indicate our adaptability, allowing seamless domain transfer with minimal intervention on schema.

tencent Tencent
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Aug 27, 2025 1

A Metamodel and Framework for Artificial General Intelligence From Theory to Practice

This paper introduces a new metamodel-based knowledge representation that significantly improves autonomous learning and adaptation. While interest in hybrid machine learning / symbolic AI systems leveraging, for example, reasoning and knowledge graphs, is gaining popularity, we find there remains a need for both a clear definition of knowledge and a metamodel to guide the creation and manipulation of knowledge. Some of the benefits of the metamodel we introduce in this paper include a solution to the symbol grounding problem, cumulative learning, and federated learning. We have applied the metamodel to problems ranging from time series analysis, computer vision, and natural language understanding and have found that the metamodel enables a wide variety of learning mechanisms ranging from machine learning, to graph network analysis and learning by reasoning engines to interoperate in a highly synergistic way. Our metamodel-based projects have consistently exhibited unprecedented accuracy, performance, and ability to generalize. This paper is inspired by the state-of-the-art approaches to AGI, recent AGI-aspiring work, the granular computing community, as well as Alfred Korzybski's general semantics. One surprising consequence of the metamodel is that it not only enables a new level of autonomous learning and optimal functioning for machine intelligences, but may also shed light on a path to better understanding how to improve human cognition.

  • 10 authors
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Feb 11, 2021