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Jul 31

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

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

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

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

Convolutional 2D Knowledge Graph Embeddings

Link prediction for knowledge graphs is the task of predicting missing relationships between entities. Previous work on link prediction has focused on shallow, fast models which can scale to large knowledge graphs. However, these models learn less expressive features than deep, multi-layer models -- which potentially limits performance. In this work, we introduce ConvE, a multi-layer convolutional network model for link prediction, and report state-of-the-art results for several established datasets. We also show that the model is highly parameter efficient, yielding the same performance as DistMult and R-GCN with 8x and 17x fewer parameters. Analysis of our model suggests that it is particularly effective at modelling nodes with high indegree -- which are common in highly-connected, complex knowledge graphs such as Freebase and YAGO3. In addition, it has been noted that the WN18 and FB15k datasets suffer from test set leakage, due to inverse relations from the training set being present in the test set -- however, the extent of this issue has so far not been quantified. We find this problem to be severe: a simple rule-based model can achieve state-of-the-art results on both WN18 and FB15k. To ensure that models are evaluated on datasets where simply exploiting inverse relations cannot yield competitive results, we investigate and validate several commonly used datasets -- deriving robust variants where necessary. We then perform experiments on these robust datasets for our own and several previously proposed models and find that ConvE achieves state-of-the-art Mean Reciprocal Rank across most datasets.

  • 4 authors
·
Jul 3, 2018

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

Collaboration of Fusion and Independence: Hypercomplex-driven Robust Multi-Modal Knowledge Graph Completion

Multi-modal knowledge graph completion (MMKGC) aims to discover missing facts in multi-modal knowledge graphs (MMKGs) by leveraging both structural relationships and diverse modality information of entities. Existing MMKGC methods follow two multi-modal paradigms: fusion-based and ensemble-based. Fusion-based methods employ fixed fusion strategies, which inevitably leads to the loss of modality-specific information and a lack of flexibility to adapt to varying modality relevance across contexts. In contrast, ensemble-based methods retain modality independence through dedicated sub-models but struggle to capture the nuanced, context-dependent semantic interplay between modalities. To overcome these dual limitations, we propose a novel MMKGC method M-Hyper, which achieves the coexistence and collaboration of fused and independent modality representations. Our method integrates the strengths of both paradigms, enabling effective cross-modal interactions while maintaining modality-specific information. Inspired by ``quaternion'' algebra, we utilize its four orthogonal bases to represent multiple independent modalities and employ the Hamilton product to efficiently model pair-wise interactions among them. Specifically, we introduce a Fine-grained Entity Representation Factorization (FERF) module and a Robust Relation-aware Modality Fusion (R2MF) module to obtain robust representations for three independent modalities and one fused modality. The resulting four modality representations are then mapped to the four orthogonal bases of a biquaternion (a hypercomplex extension of quaternion) for comprehensive modality interaction. Extensive experiments indicate its state-of-the-art performance, robustness, and computational efficiency.

  • 5 authors
·
Apr 16

FAIR Jupyter: a knowledge graph approach to semantic sharing and granular exploration of a computational notebook reproducibility dataset

The way in which data are shared can affect their utility and reusability. Here, we demonstrate how data that we had previously shared in bulk can be mobilized further through a knowledge graph that allows for much more granular exploration and interrogation. The original dataset is about the computational reproducibility of GitHub-hosted Jupyter notebooks associated with biomedical publications. It contains rich metadata about the publications, associated GitHub repositories and Jupyter notebooks, and the notebooks' reproducibility. We took this dataset, converted it into semantic triples and loaded these into a triple store to create a knowledge graph, FAIR Jupyter, that we made accessible via a web service. This enables granular data exploration and analysis through queries that can be tailored to specific use cases. Such queries may provide details about any of the variables from the original dataset, highlight relationships between them or combine some of the graph's content with materials from corresponding external resources. We provide a collection of example queries addressing a range of use cases in research and education. We also outline how sets of such queries can be used to profile specific content types, either individually or by class. We conclude by discussing how such a semantically enhanced sharing of complex datasets can both enhance their FAIRness, i.e., their findability, accessibility, interoperability, and reusability, and help identify and communicate best practices, particularly with regards to data quality, standardization, automation and reproducibility.

  • 2 authors
·
Apr 19, 2024

Zep: A Temporal Knowledge Graph Architecture for Agent Memory

We introduce Zep, a novel memory layer service for AI agents that outperforms the current state-of-the-art system, MemGPT, in the Deep Memory Retrieval (DMR) benchmark. Additionally, Zep excels in more comprehensive and challenging evaluations than DMR that better reflect real-world enterprise use cases. While existing retrieval-augmented generation (RAG) frameworks for large language model (LLM)-based agents are limited to static document retrieval, enterprise applications demand dynamic knowledge integration from diverse sources including ongoing conversations and business data. Zep addresses this fundamental limitation through its core component Graphiti -- a temporally-aware knowledge graph engine that dynamically synthesizes both unstructured conversational data and structured business data while maintaining historical relationships. In the DMR benchmark, which the MemGPT team established as their primary evaluation metric, Zep demonstrates superior performance (94.8% vs 93.4%). Beyond DMR, Zep's capabilities are further validated through the more challenging LongMemEval benchmark, which better reflects enterprise use cases through complex temporal reasoning tasks. In this evaluation, Zep achieves substantial results with accuracy improvements of up to 18.5% while simultaneously reducing response latency by 90% compared to baseline implementations. These results are particularly pronounced in enterprise-critical tasks such as cross-session information synthesis and long-term context maintenance, demonstrating Zep's effectiveness for deployment in real-world applications.

  • 5 authors
·
Jan 20, 2025

Beyond Blame: Rethinking SZZ with Knowledge Graph Search

Identifying Bug-Inducing Commits (BICs) is fundamental for understanding software defects and enabling downstream tasks such as defect prediction and automated program repair. Yet existing SZZ-based approaches are limited by their reliance on git blame, which restricts the search space to commits that directly modified the fixed lines. Our preliminary study on 2,102 validated bug-fixing commits reveals that this limitation is significant: over 40% of cases cannot be solved by blame alone, as 28% of BICs require traversing commit history beyond blame results and 14% are blameless. We present AgenticSZZ, the first approach to apply Temporal Knowledge Graphs (TKGs) to software evolution analysis. AgenticSZZ reframes BIC identification from a ranking problem over blame commits into a graph search problem, where temporal ordering is fundamental to causal reasoning about bug introduction. The approach operates in two phases: (1) constructing a TKG that encodes commits with temporal and structural relationships, expanding the search space by traversing file history backward from two reference points (blame commits and the BFC); and (2) leveraging an LLM agent to navigate the graph using specialized tools for candidate exploration and causal analysis. Evaluation on three datasets shows that AgenticSZZ achieves F1-scores of 0.48 to 0.74, with statistically significant improvements over state-of-the-art by up to 27%. Our ablation study confirms that both components are essential, reflecting a classic exploration-exploitation trade-off: the TKG expands the search space while the agent provides intelligent selection. By transforming BIC identification into a graph search problem, we open a new research direction for temporal and causal reasoning in software evolution analysis.

  • 4 authors
·
Feb 2

Leveraging Large Language Models for Semantic Query Processing in a Scholarly Knowledge Graph

The proposed research aims to develop an innovative semantic query processing system that enables users to obtain comprehensive information about research works produced by Computer Science (CS) researchers at the Australian National University (ANU). The system integrates Large Language Models (LLMs) with the ANU Scholarly Knowledge Graph (ASKG), a structured repository of all research-related artifacts produced at ANU in the CS field. Each artifact and its parts are represented as textual nodes stored in a Knowledge Graph (KG). To address the limitations of traditional scholarly KG construction and utilization methods, which often fail to capture fine-grained details, we propose a novel framework that integrates the Deep Document Model (DDM) for comprehensive document representation and the KG-enhanced Query Processing (KGQP) for optimized complex query handling. DDM enables a fine-grained representation of the hierarchical structure and semantic relationships within academic papers, while KGQP leverages the KG structure to improve query accuracy and efficiency with LLMs. By combining the ASKG with LLMs, our approach enhances knowledge utilization and natural language understanding capabilities. The proposed system employs an automatic LLM-SPARQL fusion to retrieve relevant facts and textual nodes from the ASKG. Initial experiments demonstrate that our framework is superior to baseline methods in terms of accuracy retrieval and query efficiency. We showcase the practical application of our framework in academic research scenarios, highlighting its potential to revolutionize scholarly knowledge management and discovery. This work empowers researchers to acquire and utilize knowledge from documents more effectively and provides a foundation for developing precise and reliable interactions with LLMs.

  • 4 authors
·
May 24, 2024

Integration of Domain Knowledge using Medical Knowledge Graph Deep Learning for Cancer Phenotyping

A key component of deep learning (DL) for natural language processing (NLP) is word embeddings. Word embeddings that effectively capture the meaning and context of the word that they represent can significantly improve the performance of downstream DL models for various NLP tasks. Many existing word embeddings techniques capture the context of words based on word co-occurrence in documents and text; however, they often cannot capture broader domain-specific relationships between concepts that may be crucial for the NLP task at hand. In this paper, we propose a method to integrate external knowledge from medical terminology ontologies into the context captured by word embeddings. Specifically, we use a medical knowledge graph, such as the unified medical language system (UMLS), to find connections between clinical terms in cancer pathology reports. This approach aims to minimize the distance between connected clinical concepts. We evaluate the proposed approach using a Multitask Convolutional Neural Network (MT-CNN) to extract six cancer characteristics -- site, subsite, laterality, behavior, histology, and grade -- from a dataset of ~900K cancer pathology reports. The results show that the MT-CNN model which uses our domain informed embeddings outperforms the same MT-CNN using standard word2vec embeddings across all tasks, with an improvement in the overall micro- and macro-F1 scores by 4.97\%and 22.5\%, respectively.

  • 12 authors
·
Jan 4, 2021

UniHR: Hierarchical Representation Learning for Unified Knowledge Graph Link Prediction

Real-world knowledge graphs (KGs) contain not only standard triple-based facts, but also more complex, heterogeneous types of facts, such as hyper-relational facts with auxiliary key-value pairs, temporal facts with additional timestamps, and nested facts that imply relationships between facts. These richer forms of representation have attracted significant attention due to their enhanced expressiveness and capacity to model complex semantics in real-world scenarios. However, most existing studies suffer from two main limitations: (1) they typically focus on modeling only specific types of facts, thus making it difficult to generalize to real-world scenarios with multiple fact types; and (2) they struggle to achieve generalizable hierarchical (inter-fact and intra-fact) modeling due to the complexity of these representations. To overcome these limitations, we propose UniHR, a Unified Hierarchical Representation learning framework, which consists of a learning-optimized Hierarchical Data Representation (HiDR) module and a unified Hierarchical Structure Learning (HiSL) module. The HiDR module unifies hyper-relational KGs, temporal KGs, and nested factual KGs into triple-based representations. Then HiSL incorporates intra-fact and inter-fact message passing, focusing on enhancing both semantic information within individual facts and enriching the structural information between facts. To go beyond the unified method itself, we further explore the potential of unified representation in complex real-world scenarios. Extensive experiments on 9 datasets across 5 types of KGs demonstrate the effectiveness of UniHR and highlight the strong potential of unified representations. Code and data are available at https://github.com/zjukg/UniHR.

  • 7 authors
·
Mar 5

OpenGloss: A Synthetic Encyclopedic Dictionary and Semantic Knowledge Graph

We present OpenGloss, a synthetic encyclopedic dictionary and semantic knowledge graph for English that integrates lexicographic definitions, encyclopedic context, etymological histories, and semantic relationships in a unified resource. OpenGloss contains 537K senses across 150K lexemes, on par with WordNet 3.1 and Open English WordNet, while providing more than four times as many sense definitions. These lexemes include 9.1M semantic edges, 1M usage examples, 3M collocations, and 60M words of encyclopedic content. Generated through a multi-agent procedural generation pipeline with schema-validated LLM outputs and automated quality assurance, the entire resource was produced in under one week for under $1,000. This demonstrates that structured generation can create comprehensive lexical resources at cost and time scales impractical for manual curation, enabling rapid iteration as foundation models improve. The resource addresses gaps in pedagogical applications by providing integrated content -- definitions, examples, collocations, encyclopedias, etymology -- that supports both vocabulary learning and natural language processing tasks. As a synthetically generated resource, OpenGloss reflects both the capabilities and limitations of current foundation models. The dataset is publicly available on Hugging Face under CC-BY 4.0, enabling researchers and educators to build upon and adapt this resource.

  • 1 authors
·
Nov 23, 2025

Leveraging Spreading Activation for Improved Document Retrieval in Knowledge-Graph-Based RAG Systems

Despite initial successes and a variety of architectures, retrieval-augmented generation (RAG) systems still struggle to reliably retrieve and connect the multi-step evidence required for complicated reasoning tasks. Most of the standard RAG frameworks regard all retrieved information as equally reliable, overlooking the varying credibility and interconnected nature of large textual corpora. GraphRAG approaches offer potential improvement to RAG systems by integrating knowledge graphs, which structure information into nodes and edges, capture entity relationships, and enable multi-step logical traversal. However, GraphRAG is not always an ideal solution as it depends on high-quality graph representations of the corpus, which requires either pre-existing knowledge graphs that are expensive to build and update, or automated graph construction pipelines that are often unreliable. Moreover, systems following this paradigm typically use large language models to guide graph traversal and evidence retrieval, leading to challenges similar to those encountered with standard RAG. In this paper, we propose a novel RAG framework that employs the spreading activation algorithm to retrieve information from a corpus of documents interconnected by automatically constructed knowledge graphs, thereby enhancing the performance of large language models on complex tasks such as multi-hop question answering. Experiments show that our method achieves better or comparable performance to iterative RAG methodologies, while also being easily integrable as a plug-and-play module with a wide range of RAG-based approaches. Combining our method with chain-of-thought iterative retrieval yields up to a 39\% absolute gain in answer correctness compared to naive RAG, achieving these results with small open-weight language models and highlighting its effectiveness in resource-constrained settings.

  • 3 authors
·
Dec 17, 2025

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

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

Graph-based Topology Reasoning for Driving Scenes

Understanding the road genome is essential to realize autonomous driving. This highly intelligent problem contains two aspects - the connection relationship of lanes, and the assignment relationship between lanes and traffic elements, where a comprehensive topology reasoning method is vacant. On one hand, previous map learning techniques struggle in deriving lane connectivity with segmentation or laneline paradigms; or prior lane topology-oriented approaches focus on centerline detection and neglect the interaction modeling. On the other hand, the traffic element to lane assignment problem is limited in the image domain, leaving how to construct the correspondence from two views an unexplored challenge. To address these issues, we present TopoNet, the first end-to-end framework capable of abstracting traffic knowledge beyond conventional perception tasks. To capture the driving scene topology, we introduce three key designs: (1) an embedding module to incorporate semantic knowledge from 2D elements into a unified feature space; (2) a curated scene graph neural network to model relationships and enable feature interaction inside the network; (3) instead of transmitting messages arbitrarily, a scene knowledge graph is devised to differentiate prior knowledge from various types of the road genome. We evaluate TopoNet on the challenging scene understanding benchmark, OpenLane-V2, where our approach outperforms all previous works by a great margin on all perceptual and topological metrics. The code is released at https://github.com/OpenDriveLab/TopoNet

OpenDriveLab OpenDriveLab
·
Apr 11, 2023

Attribution Bias in Philosophical Knowledge Graphs: Corpus Frequency versus Temporal Sourcing

Computational knowledge graphs assign philosophical concepts to traditions based on corpus frequency: the school that mentions a concept most becomes its attributed tradition. We argue this conflates three measurements: textual power, historical priority, and philosophical significance, demonstrated using the darshana-graph, a knowledge graph of 28,322 relationships across Hindu, Buddhist, and Jain traditions. Seven of the top 25 concepts by betweenness centrality predate their attributed school by 288 to 2,288 years. Moksha, attributed to Advaita Vedanta, appears first in Jain sources over 1,200 years earlier. The most reliable snapshot, at 300 BCE using only explicitly dated sources, shows a genuinely pluralistic structure: 59% Vedic, 24% Jain, 18% Buddhist. We also quantify a critical distortion in the temporal method: between 300 CE and 800 CE the network grows from 18 to 1,028 nodes, with 97.4% carrying Advaita proxy dates, revealing that apparent dominance reflects textual survival, not philosophical history. Beyond correcting attribution bias, the temporally grounded graph enables structural homology analysis across traditions. Ego-network feature vectors applied to 48 temporally labelled concepts across eight traditions identify cross-tradition concept pairs with high structural similarity. The method recovers known correspondences including purusha-jiva (Samkhya/Jain, sim 0.990) and prakriti-maya (Samkhya/Vedic, sim 0.972), and surfaces novel homologies. Nibbana and samsara score 0.954 despite being doctrinal opposites: both function as the ultimate reference concept in their tradition's soteriology. Cetana (Buddhist intention) and ajiva (Jain non-living matter) score 0.923, a pairing absent from the literature. These are not claims of doctrinal equivalence but of measurable structural homology: different philosophical vocabularies navigating a shared conceptual space.

  • 1 authors
·
Jun 26

PROPEX-RAG: Enhanced GraphRAG using Prompt-Driven Prompt Execution

Retrieval-Augmented Generation (RAG) has become a robust framework for enhancing Large Language Models (LLMs) with external knowledge. Recent advances in RAG have investigated graph based retrieval for intricate reasoning; however, the influence of prompt design on enhancing the retrieval and reasoning process is still considerably under-examined. In this paper, we present a prompt-driven GraphRAG framework that underscores the significance of prompt formulation in facilitating entity extraction, fact selection, and passage reranking for multi-hop question answering. Our approach creates a symbolic knowledge graph from text data by encoding entities and factual relationships as structured facts triples. We use LLMs selectively during online retrieval to perform semantic filtering and answer generation. We also use entity-guided graph traversal through Personalized PageRank (PPR) to support efficient, scalable retrieval based on the knowledge graph we built. Our system gets state-of-the-art performance on HotpotQA and 2WikiMultiHopQA, with F1 scores of 80.7% and 78.9%, and Recall@5 scores of 97.1% and 98.1%, respectively. These results show that prompt design is an important part of improving retrieval accuracy and response quality. This research lays the groundwork for more efficient and comprehensible multi-hop question-answering systems, highlighting the importance of prompt-aware graph reasoning.

  • 3 authors
·
Nov 3, 2025

AI Agent for Reverse-Engineering Legacy Finite-Difference Code and Translating to Devito

To facilitate the transformation of legacy finite difference implementations into the Devito environment, this study develops an integrated AI agent framework. Retrieval-Augmented Generation (RAG) and open-source Large Language Models are combined through multi-stage iterative workflows in the system's hybrid LangGraph architecture. The agent constructs an extensive Devito knowledge graph through document parsing, structure-aware segmentation, extraction of entity relationships, and Leiden-based community detection. GraphRAG optimisation enhances query performance across semantic communities that include seismic wave simulation, computational fluid dynamics, and performance tuning libraries. A reverse engineering component derives three-level query strategies for RAG retrieval through static analysis of Fortran source code. To deliver precise contextual information for language model guidance, the multi-stage retrieval pipeline performs parallel searching, concept expansion, community-scale retrieval, and semantic similarity analysis. Code synthesis is governed by Pydantic-based constraints to guarantee structured outputs and reliability. A comprehensive validation framework integrates conventional static analysis with the G-Eval approach, covering execution correctness, structural soundness, mathematical consistency, and API compliance. The overall agent workflow is implemented on the LangGraph framework and adopts concurrent processing to support quality-based iterative refinement and state-aware dynamic routing. The principal contribution lies in the incorporation of feedback mechanisms motivated by reinforcement learning, enabling a transition from static code translation toward dynamic and adaptive analytical behavior.

  • 2 authors
·
Jan 25

Autonomous Business System via Neuro-symbolic AI

Modern business environments demand continuous reconfiguration of cross-functional processes, yet most enterprise systems remain organized around siloed departments, rigid workflows, and hard-coded automation. Meanwhile, large language models (LLMs) demonstrate strong capabilities in interpreting natural language and synthesizing unstructured information, but they lack deterministic, auditable execution of complex business logic. We introduce Autonomous Business System (AUTOBUS), a system that integrates LLM-based AI agents, predicate-logic programming, and business-semantics-centric enterprise data into a unified neuro-symbolic architecture for executing end-to-end business initiatives. AUTOBUS models a business initiative as a network of interrelated tasks with explicit pre- and post-conditions, required data, evaluation rules, and API-level actions. Enterprise data is organized as a knowledge graph, whose entities, relationships, and constraints are translated into logic facts and foundational rules that ground reasoning and ensure semantic consistency. Core AI agents synthesize task instructions, enterprise semantics, and available tools into task-specific logic programs, which are executed by a logic engine that enforces constraints, coordinates auxiliary tools, and produces deterministic outcomes. Humans specify task instructions, define and maintain business semantics and policies, curate tools, and supervise high-impact or ambiguous decisions, ensuring accountability and adaptability. We detail the AUTOBUS architecture, the structure of AI-generated logic programs, and the human-AI collaboration model and present a case study that demonstrates accelerated time to market in a data-rich organization. A reference implementation of the case study is available at https://github.com/cecilpang/autobus-paper.

  • 2 authors
·
Jan 21

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

In-situ graph reasoning and knowledge expansion using Graph-PReFLexOR

The pursuit of automated scientific discovery has fueled progress from symbolic logic to modern AI, forging new frontiers in reasoning and pattern recognition. Transformers function as potential systems, where every possible relationship remains latent potentiality until tasks impose constraints, akin to measurement. Yet, refining their sampling requires more than probabilistic selection: solutions must conform to specific structures or rules, ensuring consistency and the invocation of general principles. We present Graph-PReFLexOR (Graph-based Preference-based Recursive Language Modeling for Exploratory Optimization of Reasoning), a framework that combines graph reasoning with symbolic abstraction to dynamically expand domain knowledge. Inspired by reinforcement learning, Graph-PReFLexOR defines reasoning as a structured mapping, where tasks yield knowledge graphs, abstract patterns, and ultimately, final answers. Inspired by category theory, it encodes concepts as nodes and their relationships as edges, supporting hierarchical inference and adaptive learning through isomorphic representations. Demonstrations include hypothesis generation, materials design, and creative reasoning, such as discovering relationships between mythological concepts like 'thin places' with materials science. We propose a 'knowledge garden growth' strategy that integrates insights across domains, promoting interdisciplinary connections. Results with a 3-billion-parameter Graph-PReFLexOR model show superior reasoning depth and adaptability, underscoring the potential for transparent, multidisciplinary AI-driven discovery. It lays the groundwork for general autonomous reasoning solutions.

  • 1 authors
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Jan 14, 2025 2

G-reasoner: Foundation Models for Unified Reasoning over Graph-structured Knowledge

Large language models (LLMs) excel at complex reasoning but remain limited by static and incomplete parametric knowledge. Retrieval-augmented generation (RAG) mitigates this by incorporating external knowledge, yet existing RAGs struggle with knowledge-intensive tasks due to fragmented information and weak modeling of knowledge structure. Graphs offer a natural way to model relationships within knowledge, but LLMs are inherently unstructured and cannot effectively reason over graph-structured data. Recent graph-enhanced RAG (GraphRAG) attempts to bridge this gap by constructing tailored graphs and enabling LLMs to reason on them. However, these methods often depend on ad-hoc graph designs, heuristic search, or costly agent pipelines, which hinder scalability and generalization. To address these challenges, we present G-reasoner, a unified framework that integrates graph and language foundation models for scalable reasoning over diverse graph-structured knowledge. Central to our approach is QuadGraph, a standardized four-layer abstraction that unifies heterogeneous knowledge sources into a common graph representation. Building on this, we introduce a 34M-parameter graph foundation model (GFM) that jointly captures graph topology and textual semantics, and is integrated with LLMs to enhance reasoning in downstream applications. To ensure scalability and efficiency, mixed-precision training and distributed message-passing are implemented to scale GFM with more GPUs. Extensive experiments on six benchmarks show that G-reasoner consistently outperforms state-of-the-art baselines, significantly enhances LLM reasoning, and achieves strong efficiency and cross-graph generalization.

  • 12 authors
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Feb 28

A Survey of Graph Retrieval-Augmented Generation for Customized Large Language Models

Large language models (LLMs) have demonstrated remarkable capabilities in a wide range of tasks, yet their application to specialized domains remains challenging due to the need for deep expertise. Retrieval-augmented generation (RAG) has emerged as a promising solution to customize LLMs for professional fields by seamlessly integrating external knowledge bases, enabling real-time access to domain-specific expertise during inference. Despite its potential, traditional RAG systems, based on flat text retrieval, face three critical challenges: (i) complex query understanding in professional contexts, (ii) difficulties in knowledge integration across distributed sources, and (iii) system efficiency bottlenecks at scale. This survey presents a systematic analysis of Graph-based Retrieval-Augmented Generation (GraphRAG), a new paradigm that revolutionizes domain-specific LLM applications. GraphRAG addresses traditional RAG limitations through three key innovations: (i) graph-structured knowledge representation that explicitly captures entity relationships and domain hierarchies, (ii) efficient graph-based retrieval techniques that enable context-preserving knowledge retrieval with multihop reasoning ability, and (iii) structure-aware knowledge integration algorithms that leverage retrieved knowledge for accurate and logical coherent generation of LLMs. In this survey, we systematically analyze the technical foundations of GraphRAG and examine current implementations across various professional domains, identifying key technical challenges and promising research directions. All the related resources of GraphRAG, including research papers, open-source data, and projects, are collected for the community in blue{https://github.com/DEEP-PolyU/Awesome-GraphRAG}.

  • 10 authors
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Jan 21, 2025

Knowledge Distillation via Token-level Relationship Graph

Knowledge distillation is a powerful technique for transferring knowledge from a pre-trained teacher model to a student model. However, the true potential of knowledge transfer has not been fully explored. Existing approaches primarily focus on distilling individual information or instance-level relationships, overlooking the valuable information embedded in token-level relationships, which may be particularly affected by the long-tail effects. To address the above limitations, we propose a novel method called Knowledge Distillation with Token-level Relationship Graph (TRG) that leverages the token-wise relational knowledge to enhance the performance of knowledge distillation. By employing TRG, the student model can effectively emulate higher-level semantic information from the teacher model, resulting in improved distillation results. To further enhance the learning process, we introduce a token-wise contextual loss called contextual loss, which encourages the student model to capture the inner-instance semantic contextual of the teacher model. We conduct experiments to evaluate the effectiveness of the proposed method against several state-of-the-art approaches. Empirical results demonstrate the superiority of TRG across various visual classification tasks, including those involving imbalanced data. Our method consistently outperforms the existing baselines, establishing a new state-of-the-art performance in the field of knowledge distillation.

  • 3 authors
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Jun 20, 2023

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
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Mar 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
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Feb 18, 2025

Accelerating Dependency Graph Learning from Heterogeneous Categorical Event Streams via Knowledge Transfer

Dependency graph, as a heterogeneous graph representing the intrinsic relationships between different pairs of system entities, is essential to many data analysis applications, such as root cause diagnosis, intrusion detection, etc. Given a well-trained dependency graph from a source domain and an immature dependency graph from a target domain, how can we extract the entity and dependency knowledge from the source to enhance the target? One way is to directly apply a mature dependency graph learned from a source domain to the target domain. But due to the domain variety problem, directly using the source dependency graph often can not achieve good performance. Traditional transfer learning methods mainly focus on numerical data and are not applicable. In this paper, we propose ACRET, a knowledge transfer based model for accelerating dependency graph learning from heterogeneous categorical event streams. In particular, we first propose an entity estimation model to filter out irrelevant entities from the source domain based on entity embedding and manifold learning. Only the entities with statistically high correlations are transferred to the target domain. On the surviving entities, we propose a dependency construction model for constructing the unbiased dependency relationships by solving a two-constraint optimization problem. The experimental results on synthetic and real-world datasets demonstrate the effectiveness and efficiency of ACRET. We also apply ACRET to a real enterprise security system for intrusion detection. Our method is able to achieve superior detection performance at least 20 days lead lag time in advance with more than 70% accuracy.

  • 5 authors
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Aug 25, 2017

Graph Counselor: Adaptive Graph Exploration via Multi-Agent Synergy to Enhance LLM Reasoning

Graph Retrieval Augmented Generation (GraphRAG) effectively enhances external knowledge integration capabilities by explicitly modeling knowledge relationships, thereby improving the factual accuracy and generation quality of Large Language Models (LLMs) in specialized domains. However, existing methods suffer from two inherent limitations: 1) Inefficient Information Aggregation: They rely on a single agent and fixed iterative patterns, making it difficult to adaptively capture multi-level textual, structural, and degree information within graph data. 2) Rigid Reasoning Mechanism: They employ preset reasoning schemes, which cannot dynamically adjust reasoning depth nor achieve precise semantic correction. To overcome these limitations, we propose Graph Counselor, an GraphRAG method based on multi-agent collaboration. This method uses the Adaptive Graph Information Extraction Module (AGIEM), where Planning, Thought, and Execution Agents work together to precisely model complex graph structures and dynamically adjust information extraction strategies, addressing the challenges of multi-level dependency modeling and adaptive reasoning depth. Additionally, the Self-Reflection with Multiple Perspectives (SR) module improves the accuracy and semantic consistency of reasoning results through self-reflection and backward reasoning mechanisms. Experiments demonstrate that Graph Counselor outperforms existing methods in multiple graph reasoning tasks, exhibiting higher reasoning accuracy and generalization ability. Our code is available at https://github.com/gjq100/Graph-Counselor.git.

  • 7 authors
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Jun 4, 2025 2

Generative Pretrained Autoregressive Transformer Graph Neural Network applied to the Analysis and Discovery of Novel Proteins

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional architectures in a causal multi-headed graph mechanism, to realize a generative pretrained model. The model is applied to predict secondary structure content (per-residue level and overall content), protein solubility, and sequencing tasks. Further trained on inverse tasks, the model is rendered capable of designing proteins with these properties as target features. The model is formulated as a general framework, completely prompt-based, and can be adapted for a variety of downstream tasks. We find that adding additional tasks yields emergent synergies that the model exploits in improving overall performance, beyond what would be possible by training a model on each dataset alone. Case studies are presented to validate the method, yielding protein designs specifically focused on structural proteins, but also exploring the applicability in the design of soluble, antimicrobial biomaterials. While our model is trained to ultimately perform 8 distinct tasks, with available datasets it can be extended to solve additional problems. In a broader sense, this work illustrates a form of multiscale modeling that relates a set of ultimate building blocks (here, byte-level utf8 characters) to complex output. This materiomic scheme captures complex emergent relationships between universal building block and resulting properties via a synergizing learning capacity to express a set of potentialities embedded in the knowledge used in training, via the interplay of universality and diversity.

  • 1 authors
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May 7, 2023

GFM-RAG: Graph Foundation Model for Retrieval Augmented Generation

Retrieval-augmented generation (RAG) has proven effective in integrating knowledge into large language models (LLMs). However, conventional RAGs struggle to capture complex relationships between pieces of knowledge, limiting their performance in intricate reasoning that requires integrating knowledge from multiple sources. Recently, graph-enhanced retrieval augmented generation (GraphRAG) builds graph structure to explicitly model these relationships, enabling more effective and efficient retrievers. Nevertheless, its performance is still hindered by the noise and incompleteness within the graph structure. To address this, we introduce GFM-RAG, a novel graph foundation model (GFM) for retrieval augmented generation. GFM-RAG is powered by an innovative graph neural network that reasons over graph structure to capture complex query-knowledge relationships. The GFM with 8M parameters undergoes a two-stage training process on large-scale datasets, comprising 60 knowledge graphs with over 14M triples and 700k documents. This results in impressive performance and generalizability for GFM-RAG, making it the first graph foundation model applicable to unseen datasets for retrieval without any fine-tuning required. Extensive experiments on three multi-hop QA datasets and seven domain-specific RAG datasets demonstrate that GFM-RAG achieves state-of-the-art performance while maintaining efficiency and alignment with neural scaling laws, highlighting its potential for further improvement.

  • 6 authors
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Feb 3, 2025

GraphRAG-R1: Graph Retrieval-Augmented Generation with Process-Constrained Reinforcement Learning

Graph Retrieval-Augmented Generation (GraphRAG) has shown great effectiveness in enhancing the reasoning abilities of LLMs by leveraging graph structures for knowledge representation and modeling complex real-world relationships. However, existing GraphRAG methods still face significant bottlenecks when handling complex problems that require multi-hop reasoning, as their query and retrieval phases are largely based on pre-defined heuristics and do not fully utilize the reasoning potentials of LLMs. To address this problem, we propose GraphRAG-R1, an adaptive GraphRAG framework by training LLMs with process-constrained outcome-based reinforcement learning (RL) to enhance the multi-hop reasoning ability. Our method can decompose complex problems, autonomously invoke retrieval tools to acquire necessary information, and perform effective reasoning. Specifically, we utilize a modified version of Group Relative Policy Optimization (GRPO) that supports rollout-with-thinking capability. Next, we design two process-constrained reward functions. To handle the shallow retrieval problem, we design a Progressive Retrieval Attenuation (PRA) reward to encourage essential retrievals. Then, to handle the over-thinking problem, we design Cost-Aware F1 (CAF) reward to balance the model performance with computational costs. We further design a phase-dependent training strategy, containing three training stages corresponding to cold start and these two rewards. Lastly, our method adopts a hybrid graph-textual retrieval to improve the reasoning capacity. Extensive experimental results demonstrate that GraphRAG-R1 boosts LLM capabilities in solving complex reasoning problems compared to state-of-the-art GraphRAG methods on both in-domain and out-of-domain datasets. Furthermore, our framework can be flexibly integrated with various existing retrieval methods, consistently delivering performance improvements.

  • 11 authors
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Jul 31, 2025

Engineering Design Knowledge Graphs from Patented Artefact Descriptions for Retrieval-Augmented Generation in the Design Process

Despite significant popularity, Large-language Models (LLMs) require explicit, contextual facts to support domain-specific knowledge-intensive tasks in the design process. The applications built using LLMs should hence adopt Retrieval-Augmented Generation (RAG) to better suit the design process. In this article, we present a data-driven method to identify explicit facts from patent documents that provide standard descriptions of over 8 million artefacts. In our method, we train roBERTa Transformer-based sequence classification models using our dataset of 44,227 sentences and facts. Upon classifying tokens in a sentence as entities or relationships, our method uses another classifier to identify specific relationship tokens for a given pair of entities so that explicit facts of the form head entity :: relationship :: tail entity are identified. In the benchmark approaches for constructing facts, we use linear classifiers and Graph Neural Networks (GNNs) both incorporating BERT Transformer-based token embeddings to predict associations among the entities and relationships. We apply our method to 4,870 fan system related patents and populate a knowledge base of around 3 million facts. Upon retrieving the facts representing generalisable domain knowledge and the knowledge of specific subsystems and issues, we demonstrate how these facts contextualise LLMs for generating text that is more relevant to the design process.

  • 2 authors
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Jul 13, 2023

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
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Jan 8

AirPhyNet: Harnessing Physics-Guided Neural Networks for Air Quality Prediction

Air quality prediction and modelling plays a pivotal role in public health and environment management, for individuals and authorities to make informed decisions. Although traditional data-driven models have shown promise in this domain, their long-term prediction accuracy can be limited, especially in scenarios with sparse or incomplete data and they often rely on black-box deep learning structures that lack solid physical foundation leading to reduced transparency and interpretability in predictions. To address these limitations, this paper presents a novel approach named Physics guided Neural Network for Air Quality Prediction (AirPhyNet). Specifically, we leverage two well-established physics principles of air particle movement (diffusion and advection) by representing them as differential equation networks. Then, we utilize a graph structure to integrate physics knowledge into a neural network architecture and exploit latent representations to capture spatio-temporal relationships within the air quality data. Experiments on two real-world benchmark datasets demonstrate that AirPhyNet outperforms state-of-the-art models for different testing scenarios including different lead time (24h, 48h, 72h), sparse data and sudden change prediction, achieving reduction in prediction errors up to 10%. Moreover, a case study further validates that our model captures underlying physical processes of particle movement and generates accurate predictions with real physical meaning.

  • 6 authors
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Feb 6, 2024

BIRDNet: Mining and Encoding Boolean Implication Knowledge Graphs as Interpretable Deep Neural Networks

Tabular data in knowledge-rich domains often carries a latent prior in the form of Boolean implication relationships (BIRs) between pairs of features. We mine such relationships with a sparse-exception binomial test. The mined implications form a typed directed graph, equivalent to a propositional rule base of 2-literal clauses. We encode this graph as the connectivity of a layered neural network, called BIRDNet, in which each hidden unit corresponds to one mined rule and binds only to its two features. We show two consequences of this design: First, the architecture is sparse by construction: at most 2/d of the weights in each BIR layer are active, where d is the input dimension. Second, the model is interpretable: every trained unit keeps a stable symbolic identity, so rules can be read off the network without surrogate models. Unlike most neurosymbolic models, BIRDNet does not consume an external rule base; its structural prior is mined from the data. We evaluate BIRDNet on six transcriptomic and proteomic benchmarks. Our results show that BIRDNet stays within 0.02 AUROC of the strongest dense baseline, at a small accuracy cost, while using up to 96times fewer active parameters than an architecture-matched dense MLP. First-layer rules recover known biological signatures across multiple cancer subtypes and tissue types, including canonical amplicons, lineage-defining co-expression modules, and immune-infiltration markers. Data and code are available at: https://github.com/MAHI-Group/BIRDNet.

  • 1 authors
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May 27

Integrating Clinical Knowledge Graphs and Gradient-Based Neural Systems for Enhanced Melanoma Diagnosis via the 7-Point Checklist

The 7-point checklist (7PCL) is a widely used diagnostic tool in dermoscopy for identifying malignant melanoma by assigning point values to seven specific attributes. However, the traditional 7PCL is limited to distinguishing between malignant melanoma and melanocytic Nevi, and falls short in scenarios where multiple skin diseases with appearances similar to melanoma coexist. To address this limitation, we propose a novel diagnostic framework that integrates a clinical knowledge-based topological graph (CKTG) with a gradient diagnostic strategy featuring a data-driven weighting system (GD-DDW). The CKTG captures both the internal and external relationships among the 7PCL attributes, while the GD-DDW emulates dermatologists' diagnostic processes, prioritizing visual observation before making predictions. Additionally, we introduce a multimodal feature extraction approach leveraging a dual-attention mechanism to enhance feature extraction through cross-modal interaction and unimodal collaboration. This method incorporates meta-information to uncover interactions between clinical data and image features, ensuring more accurate and robust predictions. Our approach, evaluated on the EDRA dataset, achieved an average AUC of 88.6%, demonstrating superior performance in melanoma detection and feature prediction. This integrated system provides data-driven benchmarks for clinicians, significantly enhancing the precision of melanoma diagnosis.

  • 7 authors
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Jul 23, 2024

OntoKG: Ontology-Oriented Knowledge Graph Construction with Intrinsic-Relational Routing

Organizing a large-scale knowledge graph into a typed property graph requires structural decisions -- which entities become nodes, which properties become edges, and what schema governs these choices. Existing approaches embed these decisions in pipeline code or extract relations ad hoc, producing schemas that are tightly coupled to their construction process and difficult to reuse for downstream ontology-level tasks. We present an ontology-oriented approach in which the schema is designed from the outset for ontology analysis, entity disambiguation, domain customization, and LLM-guided extraction -- not merely as a byproduct of graph building. The core mechanism is intrinsic-relational routing, which classifies every property as either intrinsic or relational and routes it to the corresponding schema module. This routing produces a declarative schema that is portable across storage backends and independently reusable. We instantiate the approach on the January 2026 Wikidata dump. A rule-based cleaning stage identifies a 34.6M-entity core set from the full dump, followed by iterative intrinsic-relational routing that assigns each property to one of 94 modules organized into 8 categories. With tool-augmented LLM support and human review, the schema reaches 93.3% category coverage and 98.0% module assignment among classified entities. Exporting this schema yields a property graph with 34.0M nodes and 61.2M edges across 38 relationship types. We validate the ontology-oriented claim through five applications that consume the schema independently of the construction pipeline: ontology structure analysis, benchmark annotation auditing, entity disambiguation, domain customization, and LLM-guided extraction.

  • 4 authors
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Apr 2

Bridging Legal Knowledge and AI: Retrieval-Augmented Generation with Vector Stores, Knowledge Graphs, and Hierarchical Non-negative Matrix Factorization

Agentic Generative AI, powered by Large Language Models (LLMs) with Retrieval-Augmented Generation (RAG), Knowledge Graphs (KGs), and Vector Stores (VSs), represents a transformative technology applicable to specialized domains such as legal systems, research, recommender systems, cybersecurity, and global security, including proliferation research. This technology excels at inferring relationships within vast unstructured or semi-structured datasets. The legal domain here comprises complex data characterized by extensive, interrelated, and semi-structured knowledge systems with complex relations. It comprises constitutions, statutes, regulations, and case law. Extracting insights and navigating the intricate networks of legal documents and their relations is crucial for effective legal research. Here, we introduce a generative AI system that integrates RAG, VS, and KG, constructed via Non-Negative Matrix Factorization (NMF), to enhance legal information retrieval and AI reasoning and minimize hallucinations. In the legal system, these technologies empower AI agents to identify and analyze complex connections among cases, statutes, and legal precedents, uncovering hidden relationships and predicting legal trends-challenging tasks that are essential for ensuring justice and improving operational efficiency. Our system employs web scraping techniques to systematically collect legal texts, such as statutes, constitutional provisions, and case law, from publicly accessible platforms like Justia. It bridges the gap between traditional keyword-based searches and contextual understanding by leveraging advanced semantic representations, hierarchical relationships, and latent topic discovery. This framework supports legal document clustering, summarization, and cross-referencing, for scalable, interpretable, and accurate retrieval for semi-structured data while advancing computational law and AI.

  • 5 authors
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Feb 27, 2025

MEDMKG: Benchmarking Medical Knowledge Exploitation with Multimodal Knowledge Graph

Medical deep learning models depend heavily on domain-specific knowledge to perform well on knowledge-intensive clinical tasks. Prior work has primarily leveraged unimodal knowledge graphs, such as the Unified Medical Language System (UMLS), to enhance model performance. However, integrating multimodal medical knowledge graphs remains largely underexplored, mainly due to the lack of resources linking imaging data with clinical concepts. To address this gap, we propose MEDMKG, a Medical Multimodal Knowledge Graph that unifies visual and textual medical information through a multi-stage construction pipeline. MEDMKG fuses the rich multimodal data from MIMIC-CXR with the structured clinical knowledge from UMLS, utilizing both rule-based tools and large language models for accurate concept extraction and relationship modeling. To ensure graph quality and compactness, we introduce Neighbor-aware Filtering (NaF), a novel filtering algorithm tailored for multimodal knowledge graphs. We evaluate MEDMKG across three tasks under two experimental settings, benchmarking twenty-four baseline methods and four state-of-the-art vision-language backbones on six datasets. Results show that MEDMKG not only improves performance in downstream medical tasks but also offers a strong foundation for developing adaptive and robust strategies for multimodal knowledge integration in medical artificial intelligence.

  • 6 authors
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May 22, 2025

FinReflectKG: Agentic Construction and Evaluation of Financial Knowledge Graphs

The financial domain poses unique challenges for knowledge graph (KG) construction at scale due to the complexity and regulatory nature of financial documents. Despite the critical importance of structured financial knowledge, the field lacks large-scale, open-source datasets capturing rich semantic relationships from corporate disclosures. We introduce an open-source, large-scale financial knowledge graph dataset built from the latest annual SEC 10-K filings of all S and P 100 companies - a comprehensive resource designed to catalyze research in financial AI. We propose a robust and generalizable knowledge graph (KG) construction framework that integrates intelligent document parsing, table-aware chunking, and schema-guided iterative extraction with a reflection-driven feedback loop. Our system incorporates a comprehensive evaluation pipeline, combining rule-based checks, statistical validation, and LLM-as-a-Judge assessments to holistically measure extraction quality. We support three extraction modes - single-pass, multi-pass, and reflection-agent-based - allowing flexible trade-offs between efficiency, accuracy, and reliability based on user requirements. Empirical evaluations demonstrate that the reflection-agent-based mode consistently achieves the best balance, attaining a 64.8 percent compliance score against all rule-based policies (CheckRules) and outperforming baseline methods (single-pass and multi-pass) across key metrics such as precision, comprehensiveness, and relevance in LLM-guided evaluations.

  • 5 authors
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Aug 25, 2025 1

TechGPT-2.0: A large language model project to solve the task of knowledge graph construction

Large language models have exhibited robust performance across diverse natural language processing tasks. This report introduces TechGPT-2.0, a project designed to enhance the capabilities of large language models specifically in knowledge graph construction tasks, including named entity recognition (NER) and relationship triple extraction (RTE) tasks in NLP applications. Additionally, it serves as a LLM accessible for research within the Chinese open-source model community. We offer two 7B large language model weights and a QLoRA weight specialized for processing lengthy texts.Notably, TechGPT-2.0 is trained on Huawei's Ascend server. Inheriting all functionalities from TechGPT-1.0, it exhibits robust text processing capabilities, particularly in the domains of medicine and law. Furthermore, we introduce new capabilities to the model, enabling it to process texts in various domains such as geographical areas, transportation, organizations, literary works, biology, natural sciences, astronomical objects, and architecture. These enhancements also fortified the model's adeptness in handling hallucinations, unanswerable queries, and lengthy texts. This report provides a comprehensive and detailed introduction to the full fine-tuning process on Huawei's Ascend servers, encompassing experiences in Ascend server debugging, instruction fine-tuning data processing, and model training. Our code is available at https://github.com/neukg/TechGPT-2.0

  • 9 authors
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Jan 9, 2024

What's In Your Field? Mapping Scientific Research with Knowledge Graphs and Large Language Models

The scientific literature's exponential growth makes it increasingly challenging to navigate and synthesize knowledge across disciplines. Large language models (LLMs) are powerful tools for understanding scientific text, but they fail to capture detailed relationships across large bodies of work. Unstructured approaches, like retrieval augmented generation, can sift through such corpora to recall relevant facts; however, when millions of facts influence the answer, unstructured approaches become cost prohibitive. Structured representations offer a natural complement -- enabling systematic analysis across the whole corpus. Recent work enhances LLMs with unstructured or semistructured representations of scientific concepts; to complement this, we try extracting structured representations using LLMs. By combining LLMs' semantic understanding with a schema of scientific concepts, we prototype a system that answers precise questions about the literature as a whole. Our schema applies across scientific fields and we extract concepts from it using only 20 manually annotated abstracts. To demonstrate the system, we extract concepts from 30,000 papers on arXiv spanning astrophysics, fluid dynamics, and evolutionary biology. The resulting database highlights emerging trends and, by visualizing the knowledge graph, offers new ways to explore the ever-growing landscape of scientific knowledge. Demo: abby101/surveyor-0 on HF Spaces. Code: https://github.com/chiral-carbon/kg-for-science.

  • 4 authors
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Mar 12, 2025

Domain-Adaptive Text Classification with Structured Knowledge from Unlabeled Data

Domain adaptive text classification is a challenging problem for the large-scale pretrained language models because they often require expensive additional labeled data to adapt to new domains. Existing works usually fails to leverage the implicit relationships among words across domains. In this paper, we propose a novel method, called Domain Adaptation with Structured Knowledge (DASK), to enhance domain adaptation by exploiting word-level semantic relationships. DASK first builds a knowledge graph to capture the relationship between pivot terms (domain-independent words) and non-pivot terms in the target domain. Then during training, DASK injects pivot-related knowledge graph information into source domain texts. For the downstream task, these knowledge-injected texts are fed into a BERT variant capable of processing knowledge-injected textual data. Thanks to the knowledge injection, our model learns domain-invariant features for non-pivots according to their relationships with pivots. DASK ensures the pivots to have domain-invariant behaviors by dynamically inferring via the polarity scores of candidate pivots during training with pseudo-labels. We validate DASK on a wide range of cross-domain sentiment classification tasks and observe up to 2.9% absolute performance improvement over baselines for 20 different domain pairs. Code will be made available at https://github.com/hikaru-nara/DASK.

  • 7 authors
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Jun 20, 2022

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
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May 14

Enhancing Structured-Data Retrieval with GraphRAG: Soccer Data Case Study

Extracting meaningful insights from large and complex datasets poses significant challenges, particularly in ensuring the accuracy and relevance of retrieved information. Traditional data retrieval methods such as sequential search and index-based retrieval often fail when handling intricate and interconnected data structures, resulting in incomplete or misleading outputs. To overcome these limitations, we introduce Structured-GraphRAG, a versatile framework designed to enhance information retrieval across structured datasets in natural language queries. Structured-GraphRAG utilizes multiple knowledge graphs, which represent data in a structured format and capture complex relationships between entities, enabling a more nuanced and comprehensive retrieval of information. This graph-based approach reduces the risk of errors in language model outputs by grounding responses in a structured format, thereby enhancing the reliability of results. We demonstrate the effectiveness of Structured-GraphRAG by comparing its performance with that of a recently published method using traditional retrieval-augmented generation. Our findings show that Structured-GraphRAG significantly improves query processing efficiency and reduces response times. While our case study focuses on soccer data, the framework's design is broadly applicable, offering a powerful tool for data analysis and enhancing language model applications across various structured domains.

  • 5 authors
·
Sep 26, 2024 2

What Did I Learn? Operational Competence Assessment for AI-Based Trajectory Planners

Automated driving functions increasingly rely on machine learning for tasks like perception and trajectory planning, requiring large, relevant datasets. The performance of these algorithms depends on how closely the training data matches the task. To ensure reliable functioning, it is crucial to know what is included in the dataset to assess the trained model's operational risk. We aim to enhance the safe use of machine learning in automated driving by developing a method to recognize situations that an automated vehicle has not been sufficiently trained on. This method also improves explainability by describing the dataset at a human-understandable level. We propose modeling driving data as knowledge graphs, representing driving scenes with entities and their relationships. These graphs are queried for specific sub-scene configurations to check their occurrence in the dataset. We estimate a vehicle's competence in a driving scene by considering the coverage and complexity of sub-scene configurations in the training set. Higher complexity scenes require greater coverage for high competence. We apply this method to the NuPlan dataset, modeling it with knowledge graphs and analyzing the coverage of specific driving scenes. This approach helps monitor the competence of machine learning models trained on the dataset, which is essential for trustworthy AI to be deployed in automated driving.

  • 4 authors
·
Oct 1, 2025

WorkSurface-Bench: Benchmarking Enterprise Agents on Multi-Surface Knowledge Routing

Enterprise agents often need to integrate heterogeneous knowledge sources: documents for narrative facts, tables for computation, and dependency graphs for file relationships. Existing benchmarks typically evaluate retrieval or tool use without distinguishing whether an agent first selects the appropriate knowledge sources. We introduce WorkSurface-Bench, a benchmark for evaluating this capability as surface routing. It contains 1,151 atomic tasks derived from persona-scoped Workspace-Bench-Lite workspaces, spanning document, table, graph, and cross-surface questions. Its reference answers are auditable: table answers are reproduced through executed DuckDB queries, document answers are grounded in verified text spans, and graph answers are traced to source dependency annotations. We evaluate four model backbones across six controlled agent settings, yielding 27,624 protocol-error-free trajectories. Under gold-constrained tool access, agents achieve 98.7-99.8 Route F1, while Answer remains only 56.1-75.3 percent, showing that correct surface selection is necessary but insufficient for task completion. Matched interventions further show that surface hints improve Answer for three of four models, whereas removing irrelevant tools primarily improves routing and efficiency. In an independent three-annotator audit, all 200 sampled tasks pass all six quality criteria by majority vote, with 192 receiving unanimous judgments on every criterion. We release the dataset, construction pipeline, scoring code, and agent harness at https://github.com/haolpku/WorkSurface-Bench.

  • 5 authors
·
Jul 27

Topologies of Reasoning: Demystifying Chains, Trees, and Graphs of Thoughts

The field of natural language processing (NLP) has witnessed significant progress in recent years, with a notable focus on improving large language models' (LLM) performance through innovative prompting techniques. Among these, prompt engineering coupled with structures has emerged as a promising paradigm, with designs such as Chain-of-Thought, Tree of Thoughts, or Graph of Thoughts, in which the overall LLM reasoning is guided by a structure such as a graph. As illustrated with numerous examples, this paradigm significantly enhances the LLM's capability to solve numerous tasks, ranging from logical or mathematical reasoning to planning or creative writing. To facilitate the understanding of this growing field and pave the way for future developments, we devise a general blueprint for effective and efficient LLM reasoning schemes. For this, we conduct an in-depth analysis of the prompt execution pipeline, clarifying and clearly defining different concepts. We then build the first taxonomy of structure-enhanced LLM reasoning schemes. We focus on identifying fundamental classes of harnessed structures, and we analyze the representations of these structures, algorithms executed with these structures, and many others. We refer to these structures as reasoning topologies, because their representation becomes to a degree spatial, as they are contained within the LLM context. Our study compares existing prompting schemes using the proposed taxonomy, discussing how certain design choices lead to different patterns in performance and cost. We also outline theoretical underpinnings, relationships between prompting and others parts of the LLM ecosystem such as knowledge bases, and the associated research challenges. Our work will help to advance future prompt engineering techniques.

  • 14 authors
·
Jan 25, 2024

Unseen-Codebases-Domain Data Synthesis and Training Based on Code Graphs

In the context of newly release software frameworks, large language models (LLMs) often exhibit poor performance and a high rate of hallucination, as they are not exposed to such environments during training. Although inference-time augmentation techniques such as retrieval-augmented generation (RAG) can partially mitigate hallucinations, knowledge injection through prompting alone is insufficient to enable models to fully understand the intrinsic relationships among different components of a codebase, or to reason about the correct compositions and apply. Although explicit knowledge injection can be achieved through post-training, compared with public code domains, unseen codebases typically provide only source code and lack large volumes of high-quality, usage-oriented code that can be directly leveraged as training data. Consequently, existing data synthesis approaches are insufficient to adequately capture unseen codebases usage scenarios when restricted to source code alone. To address these challenges, we propose UCD-Training, a two-stage training framework for reasoning-aware data synthesis grounded in a code graph constructed from unseen codebases. UCD-Training first parses the source code to build a code graph, then conducts dependency-preserving continued pretraining (CPT) using file-level dependency data, followed by graph-grounded supervised fine-tuning (SFT) on three types of synthesized data augmented with explicit reasoning traces: (1) single-hop relation reasoning data, (2) compositional API reasoning data, and (3) codebase utilization data. We further introduce a new benchmark, UnseenCodeBench, for code generation on unseen codebases and conduct comprehensive experiments across multiple codebases.

  • 12 authors
·
Feb 23

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

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

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

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