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Jan 13

Higher-Order Knowledge Representations for Agentic Scientific Reasoning

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

  • 2 authors
·
Jan 8

Improving Multi-step RAG with Hypergraph-based Memory for Long-Context Complex Relational Modeling

Multi-step retrieval-augmented generation (RAG) has become a widely adopted strategy for enhancing large language models (LLMs) on tasks that demand global comprehension and intensive reasoning. Many RAG systems incorporate a working memory module to consolidate retrieved information. However, existing memory designs function primarily as passive storage that accumulates isolated facts for the purpose of condensing the lengthy inputs and generating new sub-queries through deduction. This static nature overlooks the crucial high-order correlations among primitive facts, the compositions of which can often provide stronger guidance for subsequent steps. Therefore, their representational strength and impact on multi-step reasoning and knowledge evolution are limited, resulting in fragmented reasoning and weak global sense-making capacity in extended contexts. We introduce HGMem, a hypergraph-based memory mechanism that extends the concept of memory beyond simple storage into a dynamic, expressive structure for complex reasoning and global understanding. In our approach, memory is represented as a hypergraph whose hyperedges correspond to distinct memory units, enabling the progressive formation of higher-order interactions within memory. This mechanism connects facts and thoughts around the focal problem, evolving into an integrated and situated knowledge structure that provides strong propositions for deeper reasoning in subsequent steps. We evaluate HGMem on several challenging datasets designed for global sense-making. Extensive experiments and in-depth analyses show that our method consistently improves multi-step RAG and substantially outperforms strong baseline systems across diverse tasks.

tencent Tencent
·
Dec 29, 2025 3

Generating Drug Repurposing Hypotheses through the Combination of Disease-Specific Hypergraphs

The drug development pipeline for a new compound can last 10-20 years and cost over 10 billion. Drug repurposing offers a more time- and cost-effective alternative. Computational approaches based on biomedical knowledge graph representations have recently yielded new drug repurposing hypotheses. In this study, we present a novel, disease-specific hypergraph representation learning technique to derive contextual embeddings of biological pathways of various lengths but that all start at any given drug and all end at the disease of interest. Further, we extend this method to multi-disease hypergraphs. To determine the repurposing potential of each of the 1,522 drugs, we derive drug-specific distributions of cosine similarity values and ultimately consider the median for ranking. Cosine similarity values are computed between (1) all biological pathways starting at the considered drug and ending at the disease of interest and (2) all biological pathways starting at drugs currently prescribed against that disease and ending at the disease of interest. We illustrate our approach with Alzheimer's disease (AD) and two of its risk factors: hypertension (HTN) and type 2 diabetes (T2D). We compare each drug's rank across four hypergraph settings (single- or multi-disease): AD only, AD + HTN, AD + T2D, and AD + HTN + T2D. Notably, our framework led to the identification of two promising drugs whose repurposing potential was significantly higher in hypergraphs combining two diseases: dapagliflozin (antidiabetic; moved up, from top 32% to top 7%, across all considered drugs) and debrisoquine (antihypertensive; moved up, from top 76% to top 23%). Our approach serves as a hypothesis generation tool, to be paired with a validation pipeline relying on laboratory experiments and semi-automated parsing of the biomedical literature.

  • 5 authors
·
Nov 16, 2023

Integrating Knowledge Graph embedding and pretrained Language Models in Hypercomplex Spaces

Knowledge Graphs, such as Wikidata, comprise structural and textual knowledge in order to represent knowledge. For each of the two modalities dedicated approaches for graph embedding and language models learn patterns that allow for predicting novel structural knowledge. Few approaches have integrated learning and inference with both modalities and these existing ones could only partially exploit the interaction of structural and textual knowledge. In our approach, we build on existing strong representations of single modalities and we use hypercomplex algebra to represent both, (i), single-modality embedding as well as, (ii), the interaction between different modalities and their complementary means of knowledge representation. More specifically, we suggest Dihedron and Quaternion representations of 4D hypercomplex numbers to integrate four modalities namely structural knowledge graph embedding, word-level representations (e.g.\ Word2vec, Fasttext), sentence-level representations (Sentence transformer), and document-level representations (sentence transformer, Doc2vec). Our unified vector representation scores the plausibility of labelled edges via Hamilton and Dihedron products, thus modeling pairwise interactions between different modalities. Extensive experimental evaluation on standard benchmark datasets shows the superiority of our two new models using abundant textual information besides sparse structural knowledge to enhance performance in link prediction tasks.

  • 7 authors
·
Aug 4, 2022

Cog-RAG: Cognitive-Inspired Dual-Hypergraph with Theme Alignment Retrieval-Augmented Generation

Retrieval-Augmented Generation (RAG) enhances the response quality and domain-specific performance of large language models (LLMs) by incorporating external knowledge to combat hallucinations. In recent research, graph structures have been integrated into RAG to enhance the capture of semantic relations between entities. However, it primarily focuses on low-order pairwise entity relations, limiting the high-order associations among multiple entities. Hypergraph-enhanced approaches address this limitation by modeling multi-entity interactions via hyperedges, but they are typically constrained to inter-chunk entity-level representations, overlooking the global thematic organization and alignment across chunks. Drawing inspiration from the top-down cognitive process of human reasoning, we propose a theme-aligned dual-hypergraph RAG framework (Cog-RAG) that uses a theme hypergraph to capture inter-chunk thematic structure and an entity hypergraph to model high-order semantic relations. Furthermore, we design a cognitive-inspired two-stage retrieval strategy that first activates query-relevant thematic content from the theme hypergraph, and then guides fine-grained recall and diffusion in the entity hypergraph, achieving semantic alignment and consistent generation from global themes to local details. Our extensive experiments demonstrate that Cog-RAG significantly outperforms existing state-of-the-art baseline approaches.

  • 8 authors
·
Nov 17, 2025

Inductive Entity Representations from Text via Link Prediction

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

  • 3 authors
·
Oct 7, 2020

HyperFormer: Enhancing Entity and Relation Interaction for Hyper-Relational Knowledge Graph Completion

Hyper-relational knowledge graphs (HKGs) extend standard knowledge graphs by associating attribute-value qualifiers to triples, which effectively represent additional fine-grained information about its associated triple. Hyper-relational knowledge graph completion (HKGC) aims at inferring unknown triples while considering its qualifiers. Most existing approaches to HKGC exploit a global-level graph structure to encode hyper-relational knowledge into the graph convolution message passing process. However, the addition of multi-hop information might bring noise into the triple prediction process. To address this problem, we propose HyperFormer, a model that considers local-level sequential information, which encodes the content of the entities, relations and qualifiers of a triple. More precisely, HyperFormer is composed of three different modules: an entity neighbor aggregator module allowing to integrate the information of the neighbors of an entity to capture different perspectives of it; a relation qualifier aggregator module to integrate hyper-relational knowledge into the corresponding relation to refine the representation of relational content; a convolution-based bidirectional interaction module based on a convolutional operation, capturing pairwise bidirectional interactions of entity-relation, entity-qualifier, and relation-qualifier. realize the depth perception of the content related to the current statement. Furthermore, we introduce a Mixture-of-Experts strategy into the feed-forward layers of HyperFormer to strengthen its representation capabilities while reducing the amount of model parameters and computation. Extensive experiments on three well-known datasets with four different conditions demonstrate HyperFormer's effectiveness. Datasets and code are available at https://github.com/zhiweihu1103/HKGC-HyperFormer.

  • 5 authors
·
Aug 12, 2023

Leveraging Pre-trained Language Models for Time Interval Prediction in Text-Enhanced Temporal Knowledge Graphs

Most knowledge graph completion (KGC) methods learn latent representations of entities and relations of a given graph by mapping them into a vector space. Although the majority of these methods focus on static knowledge graphs, a large number of publicly available KGs contain temporal information stating the time instant/period over which a certain fact has been true. Such graphs are often known as temporal knowledge graphs. Furthermore, knowledge graphs may also contain textual descriptions of entities and relations. Both temporal information and textual descriptions are not taken into account during representation learning by static KGC methods, and only structural information of the graph is leveraged. Recently, some studies have used temporal information to improve link prediction, yet they do not exploit textual descriptions and do not support inductive inference (prediction on entities that have not been seen in training). We propose a novel framework called TEMT that exploits the power of pre-trained language models (PLMs) for text-enhanced temporal knowledge graph completion. The knowledge stored in the parameters of a PLM allows TEMT to produce rich semantic representations of facts and to generalize on previously unseen entities. TEMT leverages textual and temporal information available in a KG, treats them separately, and fuses them to get plausibility scores of facts. Unlike previous approaches, TEMT effectively captures dependencies across different time points and enables predictions on unseen entities. To assess the performance of TEMT, we carried out several experiments including time interval prediction, both in transductive and inductive settings, and triple classification. The experimental results show that TEMT is competitive with the state-of-the-art.

utrechtuniversity Utrecht University
·
Sep 28, 2023

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

LEGO-GraphRAG: Modularizing Graph-based Retrieval-Augmented Generation for Design Space Exploration

GraphRAG addresses significant challenges in Retrieval-Augmented Generation (RAG) by leveraging graphs with embedded knowledge to enhance the reasoning capabilities of Large Language Models (LLMs). Despite its promising potential, the GraphRAG community currently lacks a unified framework for fine-grained decomposition of the graph-based knowledge retrieval process. Furthermore, there is no systematic categorization or evaluation of existing solutions within the retrieval process. In this paper, we present LEGO-GraphRAG, a modular framework that decomposes the retrieval process of GraphRAG into three interconnected modules: subgraph-extraction, path-filtering, and path-refinement. We systematically summarize and classify the algorithms and neural network (NN) models relevant to each module, providing a clearer understanding of the design space for GraphRAG instances. Additionally, we identify key design factors, such as Graph Coupling and Computational Cost, that influence the effectiveness of GraphRAG implementations. Through extensive empirical studies, we construct high-quality GraphRAG instances using a representative selection of solutions and analyze their impact on retrieval and reasoning performance. Our findings offer critical insights into optimizing GraphRAG instance design, ultimately contributing to the advancement of more accurate and contextually relevant LLM applications.

  • 5 authors
·
Nov 6, 2024

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

Can LLMs be Good Graph Judger for Knowledge Graph Construction?

In real-world scenarios, most of the data obtained from information retrieval (IR) system is unstructured. Converting natural language sentences into structured Knowledge Graphs (KGs) remains a critical challenge. The quality of constructed KGs may also impact the performance of some KG-dependent domains like GraphRAG systems and recommendation systems. Recently, Large Language Models (LLMs) have demonstrated impressive capabilities in addressing a wide range of natural language processing tasks. However, there are still challenges when utilizing LLMs to address the task of generating structured KGs. And we have identified three limitations with respect to existing KG construction methods. (1)There is a large amount of information and excessive noise in real-world documents, which could result in extracting messy information. (2)Native LLMs struggle to effectively extract accuracy knowledge from some domain-specific documents. (3)Hallucinations phenomenon cannot be overlooked when utilizing LLMs directly as an unsupervised method for constructing KGs. In this paper, we propose GraphJudger, a knowledge graph construction framework to address the aforementioned challenges. We introduce three innovative modules in our method, which are entity-centric iterative text denoising, knowledge aware instruction tuning and graph judgement, respectively. We seek to utilize the capacity of LLMs to function as a graph judger, a capability superior to their role only as a predictor for KG construction problems. Experiments conducted on two general text-graph pair datasets and one domain-specific text-graph pair dataset show superior performances compared to baseline methods. The code of our proposed method is available at https://github.com/hhy-huang/GraphJudger.

  • 6 authors
·
Nov 26, 2024

BanglaAutoKG: Automatic Bangla Knowledge Graph Construction with Semantic Neural Graph Filtering

Knowledge Graphs (KGs) have proven essential in information processing and reasoning applications because they link related entities and give context-rich information, supporting efficient information retrieval and knowledge discovery; presenting information flow in a very effective manner. Despite being widely used globally, Bangla is relatively underrepresented in KGs due to a lack of comprehensive datasets, encoders, NER (named entity recognition) models, POS (part-of-speech) taggers, and lemmatizers, hindering efficient information processing and reasoning applications in the language. Addressing the KG scarcity in Bengali, we propose BanglaAutoKG, a pioneering framework that is able to automatically construct Bengali KGs from any Bangla text. We utilize multilingual LLMs to understand various languages and correlate entities and relations universally. By employing a translation dictionary to identify English equivalents and extracting word features from pre-trained BERT models, we construct the foundational KG. To reduce noise and align word embeddings with our goal, we employ graph-based polynomial filters. Lastly, we implement a GNN-based semantic filter, which elevates contextual understanding and trims unnecessary edges, culminating in the formation of the definitive KG. Empirical findings and case studies demonstrate the universal effectiveness of our model, capable of autonomously constructing semantically enriched KGs from any text.

  • 4 authors
·
Apr 4, 2024

When to use Graphs in RAG: A Comprehensive Analysis for Graph Retrieval-Augmented Generation

Graph retrieval-augmented generation (GraphRAG) has emerged as a powerful paradigm for enhancing large language models (LLMs) with external knowledge. It leverages graphs to model the hierarchical structure between specific concepts, enabling more coherent and effective knowledge retrieval for accurate reasoning.Despite its conceptual promise, recent studies report that GraphRAG frequently underperforms vanilla RAG on many real-world tasks. This raises a critical question: Is GraphRAG really effective, and in which scenarios do graph structures provide measurable benefits for RAG systems? To address this, we propose GraphRAG-Bench, a comprehensive benchmark designed to evaluate GraphRAG models onboth hierarchical knowledge retrieval and deep contextual reasoning. GraphRAG-Bench features a comprehensive dataset with tasks of increasing difficulty, coveringfact retrieval, complex reasoning, contextual summarization, and creative generation, and a systematic evaluation across the entire pipeline, from graph constructionand knowledge retrieval to final generation. Leveraging this novel benchmark, we systematically investigate the conditions when GraphRAG surpasses traditional RAG and the underlying reasons for its success, offering guidelines for its practical application. All related resources and analyses are collected for the community at https://github.com/GraphRAG-Bench/GraphRAG-Benchmark.

  • 7 authors
·
Jun 5, 2025

Harnessing Large Language Models for Knowledge Graph Question Answering via Adaptive Multi-Aspect Retrieval-Augmentation

Large Language Models (LLMs) demonstrate remarkable capabilities, yet struggle with hallucination and outdated knowledge when tasked with complex knowledge reasoning, resulting in factually incorrect outputs. Previous studies have attempted to mitigate it by retrieving factual knowledge from large-scale knowledge graphs (KGs) to assist LLMs in logical reasoning and prediction of answers. However, this kind of approach often introduces noise and irrelevant data, especially in situations with extensive context from multiple knowledge aspects. In this way, LLM attention can be potentially mislead from question and relevant information. In our study, we introduce an Adaptive Multi-Aspect Retrieval-augmented over KGs (Amar) framework. This method retrieves knowledge including entities, relations, and subgraphs, and converts each piece of retrieved text into prompt embeddings. The Amar framework comprises two key sub-components: 1) a self-alignment module that aligns commonalities among entities, relations, and subgraphs to enhance retrieved text, thereby reducing noise interference; 2) a relevance gating module that employs a soft gate to learn the relevance score between question and multi-aspect retrieved data, to determine which information should be used to enhance LLMs' output, or even filtered altogether. Our method has achieved state-of-the-art performance on two common datasets, WebQSP and CWQ, showing a 1.9\% improvement in accuracy over its best competitor and a 6.6\% improvement in logical form generation over a method that directly uses retrieved text as context prompts. These results demonstrate the effectiveness of Amar in improving the reasoning of LLMs.

  • 10 authors
·
Dec 24, 2024

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
·
Jan 21, 2025

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

Talking to GDELT Through Knowledge Graphs

In this work we study various Retrieval Augmented Regeneration (RAG) approaches to gain an understanding of the strengths and weaknesses of each approach in a question-answering analysis. To gain this understanding we use a case-study subset of the Global Database of Events, Language, and Tone (GDELT) dataset as well as a corpus of raw text scraped from the online news articles. To retrieve information from the text corpus we implement a traditional vector store RAG as well as state-of-the-art large language model (LLM) based approaches for automatically constructing KGs and retrieving the relevant subgraphs. In addition to these corpus approaches, we develop a novel ontology-based framework for constructing knowledge graphs (KGs) from GDELT directly which leverages the underlying schema of GDELT to create structured representations of global events. For retrieving relevant information from the ontology-based KGs we implement both direct graph queries and state-of-the-art graph retrieval approaches. We compare the performance of each method in a question-answering task. We find that while our ontology-based KGs are valuable for question-answering, automated extraction of the relevant subgraphs is challenging. Conversely, LLM-generated KGs, while capturing event summaries, often lack consistency and interpretability. Our findings suggest benefits of a synergistic approach between ontology and LLM-based KG construction, with proposed avenues toward that end.

  • 7 authors
·
Mar 10, 2025

Knowledge Graph-based Retrieval-Augmented Generation for Schema Matching

Traditional similarity-based schema matching methods are incapable of resolving semantic ambiguities and conflicts in domain-specific complex mapping scenarios due to missing commonsense and domain-specific knowledge. The hallucination problem of large language models (LLMs) also makes it challenging for LLM-based schema matching to address the above issues. Therefore, we propose a Knowledge Graph-based Retrieval-Augmented Generation model for Schema Matching, referred to as the KG-RAG4SM. In particular, KG-RAG4SM introduces novel vector-based, graph traversal-based, and query-based graph retrievals, as well as a hybrid approach and ranking schemes that identify the most relevant subgraphs from external large knowledge graphs (KGs). We showcase that KG-based retrieval-augmented LLMs are capable of generating more accurate results for complex matching cases without any re-training. Our experimental results show that KG-RAG4SM outperforms the LLM-based state-of-the-art (SOTA) methods (e.g., Jellyfish-8B) by 35.89% and 30.50% in terms of precision and F1 score on the MIMIC dataset, respectively; KG-RAG4SM with GPT-4o-mini outperforms the pre-trained language model (PLM)-based SOTA methods (e.g., SMAT) by 69.20% and 21.97% in terms of precision and F1 score on the Synthea dataset, respectively. The results also demonstrate that our approach is more efficient in end-to-end schema matching, and scales to retrieve from large KGs. Our case studies on the dataset from the real-world schema matching scenario exhibit that the hallucination problem of LLMs for schema matching is well mitigated by our solution.

  • 4 authors
·
Jan 15, 2025

Unifying Large Language Models and Knowledge Graphs: A Roadmap

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

  • 6 authors
·
Jun 14, 2023

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

MechGPT, a language-based strategy for mechanics and materials modeling that connects knowledge across scales, disciplines and modalities

For centuries, researchers have sought out ways to connect disparate areas of knowledge. While early scholars (Galileo, da Vinci, etc.) were experts across fields, specialization has taken hold later. With the advent of Artificial Intelligence, we can now explore relationships across areas (e.g., mechanics-biology) or disparate domains (e.g., failure mechanics-art). To achieve this, we use a fine-tuned Large Language Model (LLM), here for a subset of knowledge in multiscale materials failure. The approach includes the use of a general-purpose LLM to distill question-answer pairs from raw sources followed by LLM fine-tuning. The resulting MechGPT LLM foundation model is used in a series of computational experiments to explore its capacity for knowledge retrieval, various language tasks, hypothesis generation, and connecting knowledge across disparate areas. While the model has some ability to recall knowledge from training, we find that LLMs are particularly useful to extract structural insights through Ontological Knowledge Graphs. These interpretable graph structures provide explanatory insights, frameworks for new research questions, and visual representations of knowledge that also can be used in retrieval-augmented generation. Three versions of MechGPT are discussed, featuring different sizes from 13 billion to 70 billion parameters, and reaching context lengths of more than 10,000 tokens. This provides ample capacity for sophisticated retrieval augmented strategies, as well as agent-based modeling where multiple LLMs interact collaboratively and/or adversarially, the incorporation of new data from the literature or web searches, as well as multimodality.

  • 1 authors
·
Oct 16, 2023

LEMON: LanguagE ModeL for Negative Sampling of Knowledge Graph Embeddings

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

  • 5 authors
·
Mar 9, 2022

Multi-Label Zero-Shot Product Attribute-Value Extraction

E-commerce platforms should provide detailed product descriptions (attribute values) for effective product search and recommendation. However, attribute value information is typically not available for new products. To predict unseen attribute values, large quantities of labeled training data are needed to train a traditional supervised learning model. Typically, it is difficult, time-consuming, and costly to manually label large quantities of new product profiles. In this paper, we propose a novel method to efficiently and effectively extract unseen attribute values from new products in the absence of labeled data (zero-shot setting). We propose HyperPAVE, a multi-label zero-shot attribute value extraction model that leverages inductive inference in heterogeneous hypergraphs. In particular, our proposed technique constructs heterogeneous hypergraphs to capture complex higher-order relations (i.e. user behavior information) to learn more accurate feature representations for graph nodes. Furthermore, our proposed HyperPAVE model uses an inductive link prediction mechanism to infer future connections between unseen nodes. This enables HyperPAVE to identify new attribute values without the need for labeled training data. We conduct extensive experiments with ablation studies on different categories of the MAVE dataset. The results demonstrate that our proposed HyperPAVE model significantly outperforms existing classification-based, generation-based large language models for attribute value extraction in the zero-shot setting.

  • 2 authors
·
Feb 13, 2024

MetaHGNIE: Meta-Path Induced Hypergraph Contrastive Learning in Heterogeneous Knowledge Graphs

Node importance estimation (NIE) in heterogeneous knowledge graphs is a critical yet challenging task, essential for applications such as recommendation, knowledge reasoning, and question answering. Existing methods often rely on pairwise connections, neglecting high-order dependencies among multiple entities and relations, and they treat structural and semantic signals independently, hindering effective cross-modal integration. To address these challenges, we propose MetaHGNIE, a meta-path induced hypergraph contrastive learning framework for disentangling and aligning structural and semantic information. MetaHGNIE constructs a higher-order knowledge graph via meta-path sequences, where typed hyperedges capture multi-entity relational contexts. Structural dependencies are aggregated with local attention, while semantic representations are encoded through a hypergraph transformer equipped with sparse chunking to reduce redundancy. Finally, a multimodal fusion module integrates structural and semantic embeddings under contrastive learning with auxiliary supervision, ensuring robust cross-modal alignment. Extensive experiments on benchmark NIE datasets demonstrate that MetaHGNIE consistently outperforms state-of-the-art baselines. These results highlight the effectiveness of explicitly modeling higher-order interactions and cross-modal alignment in heterogeneous knowledge graphs. Our code is available at https://github.com/SEU-WENJIA/DualHNIE

  • 7 authors
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Dec 13, 2025

MegaRAG: Multimodal Knowledge Graph-Based Retrieval Augmented Generation

Retrieval-augmented generation (RAG) enables large language models (LLMs) to dynamically access external information, which is powerful for answering questions over previously unseen documents. Nonetheless, they struggle with high-level conceptual understanding and holistic comprehension due to limited context windows, which constrain their ability to perform deep reasoning over long-form, domain-specific content such as full-length books. To solve this problem, knowledge graphs (KGs) have been leveraged to provide entity-centric structure and hierarchical summaries, offering more structured support for reasoning. However, existing KG-based RAG solutions remain restricted to text-only inputs and fail to leverage the complementary insights provided by other modalities such as vision. On the other hand, reasoning from visual documents requires textual, visual, and spatial cues into structured, hierarchical concepts. To address this issue, we introduce a multimodal knowledge graph-based RAG that enables cross-modal reasoning for better content understanding. Our method incorporates visual cues into the construction of knowledge graphs, the retrieval phase, and the answer generation process. Experimental results across both global and fine-grained question answering tasks show that our approach consistently outperforms existing RAG-based approaches on both textual and multimodal corpora.

  • 5 authors
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Nov 26, 2025

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

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

  • 8 authors
·
Jun 5, 2024

LinearRAG: Linear Graph Retrieval Augmented Generation on Large-scale Corpora

Retrieval-Augmented Generation (RAG) is widely used to mitigate hallucinations of Large Language Models (LLMs) by leveraging external knowledge. While effective for simple queries, traditional RAG systems struggle with large-scale, unstructured corpora where information is fragmented. Recent advances incorporate knowledge graphs to capture relational structures, enabling more comprehensive retrieval for complex, multi-hop reasoning tasks. However, existing graph-based RAG (GraphRAG) methods rely on unstable and costly relation extraction for graph construction, often producing noisy graphs with incorrect or inconsistent relations that degrade retrieval quality. In this paper, we revisit the pipeline of existing GraphRAG systems and propose LinearRAG (Linear Graph-based Retrieval-Augmented Generation), an efficient framework that enables reliable graph construction and precise passage retrieval. Specifically, LinearRAG constructs a relation-free hierarchical graph, termed Tri-Graph, using only lightweight entity extraction and semantic linking, avoiding unstable relation modeling. This new paradigm of graph construction scales linearly with corpus size and incurs no extra token consumption, providing an economical and reliable indexing of the original passages. For retrieval, LinearRAG adopts a two-stage strategy: (i) relevant entity activation via local semantic bridging, followed by (ii) passage retrieval through global importance aggregation. Extensive experiments on four datasets demonstrate that LinearRAG significantly outperforms baseline models.

  • 8 authors
·
Oct 11, 2025

High-Throughput Vector Similarity Search in Knowledge Graphs

There is an increasing adoption of machine learning for encoding data into vectors to serve online recommendation and search use cases. As a result, recent data management systems propose augmenting query processing with online vector similarity search. In this work, we explore vector similarity search in the context of Knowledge Graphs (KGs). Motivated by the tasks of finding related KG queries and entities for past KG query workloads, we focus on hybrid vector similarity search (hybrid queries for short) where part of the query corresponds to vector similarity search and part of the query corresponds to predicates over relational attributes associated with the underlying data vectors. For example, given past KG queries for a song entity, we want to construct new queries for new song entities whose vector representations are close to the vector representation of the entity in the past KG query. But entities in a KG also have non-vector attributes such as a song associated with an artist, a genre, and a release date. Therefore, suggested entities must also satisfy query predicates over non-vector attributes beyond a vector-based similarity predicate. While these tasks are central to KGs, our contributions are generally applicable to hybrid queries. In contrast to prior works that optimize online queries, we focus on enabling efficient batch processing of past hybrid query workloads. We present our system, HQI, for high-throughput batch processing of hybrid queries. We introduce a workload-aware vector data partitioning scheme to tailor the vector index layout to the given workload and describe a multi-query optimization technique to reduce the overhead of vector similarity computations. We evaluate our methods on industrial workloads and demonstrate that HQI yields a 31x improvement in throughput for finding related KG queries compared to existing hybrid query processing approaches.

  • 8 authors
·
Apr 4, 2023

MindMap: Knowledge Graph Prompting Sparks Graph of Thoughts in Large Language Models

LLMs usually exhibit limitations in their ability to incorporate new knowledge, the generation of hallucinations, and the transparency of their decision-making process. In this paper, we explore how to prompt LLMs with knowledge graphs (KG), working as a remedy to engage LLMs with up-to-date knowledge and elicit the reasoning pathways from LLMs. Specifically, we build a prompting pipeline that endows LLMs with the capability of comprehending KG inputs and inferring with a combined implicit knowledge and the retrieved external knowledge. In addition, we investigate eliciting the mind map on which LLMs perform the reasoning and generate the answers. It is identified that the produced mind map exhibits the reasoning pathways of LLMs grounded on the ontology of knowledge, hence bringing the prospects of probing and gauging LLM inference in production. The experiments on three question & answering datasets also show that MindMap prompting leads to a striking empirical gain. For instance, prompting a GPT-3.5 with MindMap yields an overwhelming performance over GPT-4 consistently. We also demonstrate that with structured facts retrieved from KG, MindMap can outperform a series of prompting-with-document-retrieval methods, benefiting from more accurate, concise, and comprehensive knowledge from KGs. To reproduce our results and extend the framework further, we make our codebase available at https://github.com/wyl.willing/MindMap.

  • 3 authors
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Aug 17, 2023 2

From Graphs to Hypergraphs: Hypergraph Projection and its Remediation

We study the implications of the modeling choice to use a graph, instead of a hypergraph, to represent real-world interconnected systems whose constituent relationships are of higher order by nature. Such a modeling choice typically involves an underlying projection process that maps the original hypergraph onto a graph, and is common in graph-based analysis. While hypergraph projection can potentially lead to loss of higher-order relations, there exists very limited studies on the consequences of doing so, as well as its remediation. This work fills this gap by doing two things: (1) we develop analysis based on graph and set theory, showing two ubiquitous patterns of hyperedges that are root to structural information loss in all hypergraph projections; we also quantify the combinatorial impossibility of recovering the lost higher-order structures if no extra help is provided; (2) we still seek to recover the lost higher-order structures in hypergraph projection, and in light of (1)'s findings we propose to relax the problem into a learning-based setting. Under this setting, we develop a learning-based hypergraph reconstruction method based on an important statistic of hyperedge distributions that we find. Our reconstruction method is evaluated on 8 real-world datasets under different settings, and exhibits consistently good performance. We also demonstrate benefits of the reconstructed hypergraphs via use cases of protein rankings and link predictions.

  • 2 authors
·
Jan 16, 2024

Heterogeneous LLM Methods for Ontology Learning (Few-Shot Prompting, Ensemble Typing, and Attention-Based Taxonomies)

We present a comprehensive system for addressing Tasks A, B, and C of the LLMs4OL 2025 challenge, which together span the full ontology construction pipeline: term extraction, typing, and taxonomy discovery. Our approach combines retrieval-augmented prompting, zero-shot classification, and attention-based graph modeling -- each tailored to the demands of the respective task. For Task A, we jointly extract domain-specific terms and their ontological types using a retrieval-augmented generation (RAG) pipeline. Training data was reformulated into a document to terms and types correspondence, while test-time inference leverages semantically similar training examples. This single-pass method requires no model finetuning and improves overall performance through lexical augmentation Task B, which involves assigning types to given terms, is handled via a dual strategy. In the few-shot setting (for domains with labeled training data), we reuse the RAG scheme with few-shot prompting. In the zero-shot setting (for previously unseen domains), we use a zero-shot classifier that combines cosine similarity scores from multiple embedding models using confidence-based weighting. In Task C, we model taxonomy discovery as graph inference. Using embeddings of type labels, we train a lightweight cross-attention layer to predict is-a relations by approximating a soft adjacency matrix. These modular, task-specific solutions enabled us to achieve top-ranking results in the official leaderboard across all three tasks. Taken together these strategies showcase the scalability, adaptability, and robustness of LLM-based architectures for ontology learning across heterogeneous domains. Code is available at: https://github.com/BelyaevaAlex/LLMs4OL-Challenge-Alexbek

  • 2 authors
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Aug 26, 2025