Discovery gene-disease links is important in biology and medicine areas, enabling disease identification and drug repurposing. Machine learning approaches accelerate this process by leveraging biological knowledge represented in ontologies and the structure of knowledge graphs. Still, many existing works overlook ontologies explicitly representing diseases, missing causal and semantic relationships between them. The gene-disease association problem naturally frames itself as a link prediction task, where embedding algorithms directly predict associations by exploring the structure and properties of the knowledge graph. Some works frame it as a node-pair classification task, combining embedding algorithms with traditional machine learning algorithms. This strategy aligns with the logic of a machine learning pipeline. However, the use of negative examples and the lack of validated gene-disease associations to train embedding models may constrain its effectiveness. This work introduces a novel framework for comparing the performance of link prediction versus node-pair classification tasks, analyses the performance of state of the art gene-disease association approaches, and compares the different order-based formalizations of gene-disease association prediction. It also evaluates the impact of the semantic richness through a disease-specific ontology and additional links between ontologies. The framework involves five steps: data splitting, knowledge graph integration, embedding, modeling and prediction, and method evaluation. Results show that enriching the semantic representation of diseases slightly improves performance, while additional links generate a greater impact. Link prediction methods better explore the semantic richness encoded in knowledge graphs. Although node-pair classification methods identify all true positives, link prediction methods outperform overall.
Corporate fraud detection aims to automatically recognize companies that conduct wrongful activities such as fraudulent financial statements or illegal insider trading. Previous learning-based methods fail to effectively integrate rich interactions in the company network. To close this gap, we collect 18-year financial records in China to form three graph datasets with fraud labels. We analyze the characteristics of the financial graphs, highlighting two pronounced issues: (1) information overload: the dominance of (noisy) non-company nodes over company nodes hinders the message-passing process in Graph Convolution Networks (GCN); and (2) hidden fraud: there exists a large percentage of possible undetected violations in the collected data. The hidden fraud problem will introduce noisy labels in the training dataset and compromise fraud detection results. To handle such challenges, we propose a novel graph-based method, namely, Knowledge-enhanced GCN with Robust Two-stage Learning (${\rm KeGCN}_{R}$), which leverages Knowledge Graph Embeddings to mitigate the information overload and effectively learns rich representations. The proposed model adopts a two-stage learning method to enhance robustness against hidden frauds. Extensive experimental results not only confirm the importance of interactions but also show the superiority of ${\rm KeGCN}_{R}$ over a number of strong baselines in terms of fraud detection effectiveness and robustness.
Knowledge graph (KG) learning offers a powerful framework for generating new knowledge and making inferences. Training KG embedding can take a significantly long time, especially for larger datasets. Our analysis shows that the gradient computation of embedding is one of the dominant functions in the translation-based KG embedding training loop. We address this issue by replacing the core embedding computation with SpMM (Sparse-Dense Matrix Multiplication) kernels. This allows us to unify multiple scatter (and gather) operations as a single operation, reducing training time and memory usage. We create a general framework for training KG models using sparse kernels and implement four models, namely TransE, TransR, TransH, and TorusE. Our sparse implementations exhibit up to 5.3x speedup on the CPU and up to 4.2x speedup on the GPU with a significantly low GPU memory footprint. The speedups are consistent across large and small datasets for a given model. Our proposed sparse approach can be extended to accelerate other translation-based (such as TransC, TransM, etc.) and non-translational (such as DistMult, ComplEx, RotatE, etc.) models as well. An implementation of the SpTransX framework is publicly available as a Python package in https://github.com/HipGraph/SpTransX.
Knowledge Graphs (KGs) store human knowledge in the form of entities (nodes) and relations, and are used extensively in various applications. KG embeddings are an effective approach to addressing tasks like knowledge discovery, link prediction, and reasoning. This is often done by allocating and learning embedding tables for all or a subset of the entities. As this scales linearly with the number of entities, learning embedding models in real-world KGs with millions of nodes can be computationally intractable. To address this scalability problem, our model, PathE, only allocates embedding tables for relations (which are typically orders of magnitude fewer than the entities) and requires less than 25% of the parameters of previous parameter efficient methods. Rather than storing entity embeddings, we learn to compute them by leveraging multiple entity-relation paths to contextualise individual entities within triples. Evaluated on four benchmarks, PathE achieves state-of-the-art performance in relation prediction, and remains competitive in link prediction on path-rich KGs while training on consumer-grade hardware. We perform ablation experiments to test our design choices and analyse the sensitivity of the model to key hyper-parameters. PathE is efficient and cost-effective for relationally diverse and well-connected KGs commonly found in real-world applications.
In recent years, knowledge graph embeddings have achieved great success. Many methods have been proposed and achieved state-of-the-art results in various tasks. However, most of the current methods present one or more of the following problems: (i) They only consider fact triplets, while ignoring the ontology information of knowledge graphs. (ii) The obtained embeddings do not contain much semantic information. Therefore, using these embeddings for semantic tasks is problematic. (iii) They do not enable large-scale training. In this paper, we propose a new algorithm that incorporates the ontology of knowledge graphs and partitions the knowledge graph based on classes to include more semantic information for parallel training of large-scale knowledge graph embeddings. Our preliminary results show that our algorithm performs well on several popular benchmarks.
Question answering is a natural language understanding task that involves reasoning over both explicit context and unstated, relevant domain knowledge. Large language models (LLMs), which underpin most contemporary question answering systems, struggle to induce how concepts relate in specialized domains such as medicine. Existing medical LLMs are also costly to train. In this work, we present MEG, a parameter-efficient approach for medical knowledge-augmented LLMs. MEG uses a lightweight mapping network to integrate graph embeddings into the LLM, enabling it to leverage external knowledge in a cost-effective way. We evaluate our method on four popular medical multiple-choice datasets and show that LLMs greatly benefit from the factual grounding provided by knowledge graph embeddings. MEG attains an average of +10.2% accuracy over the Mistral-Instruct baseline, and +6.7% over specialized models like BioMistral. We also show results based on Llama-3. Finally, we show that MEG's performance remains robust to the choice of graph encoder.
Ontology alignment is integral to achieving semantic interoperability as the number of available ontologies covering intersecting domains is increasing. This paper proposes OWL2Vec4OA, an extension of the ontology embedding system OWL2Vec*. While OWL2Vec* has emerged as a powerful technique for ontology embedding, it currently lacks a mechanism to tailor the embedding to the ontology alignment task. OWL2Vec4OA incorporates edge confidence values from seed mappings to guide the random walk strategy. We present the theoretical foundations, implementation details, and experimental evaluation of our proposed extension, demonstrating its potential effectiveness for ontology alignment tasks.
With the advancement of internet communication and telemedicine, people are increasingly turning to the web for various healthcare activities. With an ever-increasing number of diseases and symptoms, diagnosing patients becomes challenging. In this work, we build a diagnosis assistant to assist doctors, which identifies diseases based on patient-doctor interaction. During diagnosis, doctors utilize both symptomatology knowledge and diagnostic experience to identify diseases accurately and efficiently. Inspired by this, we investigate the role of medical knowledge in disease diagnosis through doctor-patient interaction. We propose a two-channel, knowledge-infused, discourse-aware disease diagnosis model (KI-DDI), where the first channel encodes patient-doctor communication using a transformer-based encoder, while the other creates an embedding of symptom-disease using a graph attention network (GAT). In the next stage, the conversation and knowledge graph embeddings are infused together and fed to a deep neural network for disease identification. Furthermore, we first develop an empathetic conversational medical corpus comprising conversations between patients and doctors, annotated with intent and symptoms information. The proposed model demonstrates a significant improvement over the existing state-of-the-art models, establishing the crucial roles of (a) a doctor's effort for additional symptom extraction (in addition to patient self-report) and (b) infusing medical knowledge in identifying diseases effectively. Many times, patients also show their medical conditions, which acts as crucial evidence in diagnosis. Therefore, integrating visual sensory information would represent an effective avenue for enhancing the capabilities of diagnostic assistants.
A Knowledge Graph (KG) is the directed graphical representation of entities and relations in the real world. KG can be applied in diverse Natural Language Processing (NLP) tasks where knowledge is required. The need to scale up and complete KG automatically yields Knowledge Graph Embedding (KGE), a shallow machine learning model that is suffering from memory and training time consumption issues. To mitigate the computational load, we propose a parameter-sharing method, i.e., using conjugate parameters for complex numbers employed in KGE models. Our method improves memory efficiency by 2x in relation embedding while achieving comparable performance to the state-of-the-art non-conjugate models, with faster, or at least comparable, training time. We demonstrated the generalizability of our method on two best-performing KGE models $5^{\bigstar}\mathrm{E}$ and $\mathrm{ComplEx}$ on five benchmark datasets.
Parameter-efficient finetuning (PEFT) is a key technique for adapting large language models (LLMs) to downstream tasks. In this paper, we study leveraging knowledge graph embeddings to improve the effectiveness of PEFT. We propose a knowledgeable adaptation method called KnowLA. It inserts an adaptation layer into an LLM to integrate the embeddings of entities appearing in the input text. The adaptation layer is trained in combination with LoRA on instruction data. Experiments on six benchmarks with two popular LLMs and three knowledge graphs demonstrate the effectiveness and robustness of KnowLA. We show that \modelname can help activate the relevant parameterized knowledge in an LLM to answer a question without changing its parameters or input prompts.
Knowledge graph embeddings (KGEs) were originally developed to infer true but missing facts in incomplete knowledge repositories. In this paper, we link knowledge graph completion and counterfactual reasoning via our new task CFKGR. We model the original world state as a knowledge graph, hypothetical scenarios as edges added to the graph, and plausible changes to the graph as inferences from logical rules. We create corresponding benchmark datasets, which contain diverse hypothetical scenarios with plausible changes to the original knowledge graph and facts that should be retained. We develop COULDD, a general method for adapting existing knowledge graph embeddings given a hypothetical premise, and evaluate it on our benchmark. Our results indicate that KGEs learn patterns in the graph without explicit training. We further observe that KGEs adapted with COULDD solidly detect plausible counterfactual changes to the graph that follow these patterns. An evaluation on human-annotated data reveals that KGEs adapted with COULDD are mostly unable to recognize changes to the graph that do not follow learned inference rules. In contrast, ChatGPT mostly outperforms KGEs in detecting plausible changes to the graph but has poor knowledge retention. In summary, CFKGR connects two previously distinct areas, namely KG completion and counterfactual reasoning.
Bilevel optimization refers to scenarios whereby the optimal solution of a lower-level energy function serves as input features to an upper-level objective of interest. These optimal features typically depend on tunable parameters of the lower-level energy in such a way that the entire bilevel pipeline can be trained end-to-end. Although not generally presented as such, this paper demonstrates how a variety of graph learning techniques can be recast as special cases of bilevel optimization or simplifications thereof. In brief, building on prior work we first derive a more flexible class of energy functions that, when paired with various descent steps (e.g., gradient descent, proximal methods, momentum, etc.), form graph neural network (GNN) message-passing layers; critically, we also carefully unpack where any residual approximation error lies with respect to the underlying constituent message-passing functions. We then probe several simplifications of this framework to derive close connections with non-GNN-based graph learning approaches, including knowledge graph embeddings, various forms of label propagation, and efficient graph-regularized MLP models. And finally, we present supporting empirical results that demonstrate the versatility of the proposed bilevel lens, which we refer to as BloomGML, referencing that BiLevel Optimization Offers More Graph Machine Learning. Our code is available at https://github.com/amberyzheng/BloomGML. Let graph ML bloom.
In this work, we introduce and analyze an approach to knowledge transfer from one collection of facts to another without the need for entity or relation matching. The method works for both canonicalized knowledge bases and uncanonicalized or open knowledge bases, i.e., knowledge bases where more than one copy of a real-world entity or relation may exist. The main contribution is a method that can make use of large-scale pre-training on facts, which were collected from unstructured text, to improve predictions on structured data from a specific domain. The introduced method is most impactful on small datasets such as ReVerb20k, where a 6% absolute increase of mean reciprocal rank and 65% relative decrease of mean rank over the previously best method was achieved, despite not relying on large pre-trained models like Bert. To understand the obtained pre-trained models better, we then introduce a novel dataset for the analysis of pre-trained models for Open Knowledge Base Completion, called Doge (Diagnostics of Open knowledge Graph Embeddings). It consists of 6 subsets and is designed to measure multiple properties of a pre-trained model: robustness against synonyms, ability to perform deductive reasoning, presence of gender stereotypes, consistency with reverse relations, and coverage of different areas of general knowledge. Using the introduced dataset, we show that the existing OKBC models lack consistency in the presence of synonyms and inverse relations and are unable to perform deductive reasoning. Moreover, their predictions often align with gender stereotypes, which persist even when presented with counterevidence. We additionally investigate the role of pre-trained word embeddings and demonstrate that avoiding biased word embeddings is not a sufficient measure to prevent biased behavior of OKBC models.
In Natural Language Processing (NLP), Machine Reading Comprehension (MRC) is the task of answering a question based on a given context. To handle questions in the medical domain, modern language models such as BioBERT, SciBERT and even ChatGPT are trained on vast amounts of in-domain medical corpora. However, in-domain pre-training is expensive in terms of time and resources. In this paper, we propose a resource-efficient approach for injecting domain knowledge into a model without relying on such domain-specific pre-training. Knowledge graphs are powerful resources for accessing medical information. Building on existing work, we introduce a method using Multi-Layer Perceptrons (MLPs) for aligning and integrating embeddings extracted from medical knowledge graphs with the embedding spaces of pre-trained language models (LMs). The aligned embeddings are fused with open-domain LMs BERT and RoBERTa that are fine-tuned for two MRC tasks, span detection (COVID-QA) and multiple-choice questions (PubMedQA). We compare our method to prior techniques that rely on a vocabulary overlap for embedding alignment and show how our method circumvents this requirement to deliver better performance. On both datasets, our method allows BERT/RoBERTa to either perform on par (occasionally exceeding) with stronger domain-specific models or show improvements in general over prior techniques. With the proposed approach, we signal an alternative method to in-domain pre-training to achieve domain proficiency. Our code is available here.
Some of the most successful knowledge graph embedding (KGE) models for link prediction -- CP, RESCAL, TuckER, ComplEx -- can be interpreted as energy-based models. Under this perspective they are not amenable for exact maximum-likelihood estimation (MLE), sampling and struggle to integrate logical constraints. This work re-interprets the score functions of these KGEs as circuits -- constrained computational graphs allowing efficient marginalisation. Then, we design two recipes to obtain efficient generative circuit models by either restricting their activations to be non-negative or squaring their outputs. Our interpretation comes with little or no loss of performance for link prediction, while the circuits framework unlocks exact learning by MLE, efficient sampling of new triples, and guarantee that logical constraints are satisfied by design. Furthermore, our models scale more gracefully than the original KGEs on graphs with millions of entities.
The primary aim of Knowledge Graph embeddings (KGE) is to learn low-dimensional representations of entities and relations for predicting missing facts. While rotation-based methods like RotatE and QuatE perform well in KGE, they face two challenges: limited model flexibility requiring proportional increases in relation size with entity dimension, and difficulties in generalizing the model for higher-dimensional rotations. To address these issues, we introduce OrthogonalE, a novel KGE model employing matrices for entities and block-diagonal orthogonal matrices with Riemannian optimization for relations. This approach enhances the generality and flexibility of KGE models. The experimental results indicate that our new KGE model, OrthogonalE, is both general and flexible, significantly outperforming state-of-the-art KGE models while substantially reducing the number of relation parameters.
Knowledge Graphs (KGs) such as Resource Description Framework (RDF) data represent relationships between various entities through the structure of triples (<subject, predicate, object>). Knowledge graph embedding (KGE) is crucial in machine learning applications, specifically in node classification and link prediction tasks. KGE remains a vital research topic within the semantic web community. RDF-star introduces the concept of a quoted triple (QT), a specific form of triple employed either as the subject or object within another triple. Moreover, RDF-star permits a QT to act as compositional entities within another QT, thereby enabling the representation of recursive, hyper-relational KGs with nested structures. However, existing KGE models fail to adequately learn the semantics of QTs and entities, primarily because they do not account for RDF-star graphs containing multi-leveled nested QTs and QT-QT relationships. This study introduces RDF-star2Vec, a novel KGE model specifically designed for RDF-star graphs. RDF-star2Vec introduces graph walk techniques that enable probabilistic transitions between a QT and its compositional entities. Feature vectors for QTs, entities, and relations are derived from generated sequences through the structured skip-gram model. Additionally, we provide a dataset and a benchmarking framework for data mining tasks focused on complex RDF-star graphs. Evaluative experiments demonstrated that RDF-star2Vec yielded superior performance compared to recent extensions of RDF2Vec in various tasks including classification, clustering, entity relatedness, and QT similarity.
In this paper, we introduce Linked Papers With Code (LPWC), an RDF knowledge graph that provides comprehensive, current information about almost 400,000 machine learning publications. This includes the tasks addressed, the datasets utilized, the methods implemented, and the evaluations conducted, along with their results. Compared to its non-RDF-based counterpart Papers With Code, LPWC not only translates the latest advancements in machine learning into RDF format, but also enables novel ways for scientific impact quantification and scholarly key content recommendation. LPWC is openly accessible at https://linkedpaperswithcode.com and is licensed under CC-BY-SA 4.0. As a knowledge graph in the Linked Open Data cloud, we offer LPWC in multiple formats, from RDF dump files to a SPARQL endpoint for direct web queries, as well as a data source with resolvable URIs and links to the data sources SemOpenAlex, Wikidata, and DBLP. Additionally, we supply knowledge graph embeddings, enabling LPWC to be readily applied in machine learning applications.
A variety of knowledge graph embedding approaches have been developed. Most of them obtain embeddings by learning the structure of the knowledge graph within a link prediction setting. As a result, the embeddings reflect only the structure of a single knowledge graph, and embeddings for different knowledge graphs are not aligned, e.g., they cannot be used to find similar entities across knowledge graphs via nearest neighbor search. However, knowledge graph embedding applications such as entity disambiguation require a more global representation, i.e., a representation that is valid across multiple sources. We propose to learn universal knowledge graph embeddings from large-scale interlinked knowledge sources. To this end, we fuse large knowledge graphs based on the owl:sameAs relation such that every entity is represented by a unique identity. We instantiate our idea by computing universal embeddings based on DBpedia and Wikidata yielding embeddings for about 180 million entities, 15 thousand relations, and 1.2 billion triples. We believe our computed embeddings will support the emerging field of graph foundation models. Moreover, we develop a convenient API to provide embeddings as a service. Experiments on link prediction suggest that universal knowledge graph embeddings encode better semantics compared to embeddings computed on a single knowledge graph. For reproducibility purposes, we provide our source code and datasets open access.
Graph data structures are widely used to store relational information between several entities. With data being generated worldwide on a large scale, we see a significant growth in the generation of knowledge graphs. Thing in the future is Orange's take on a knowledge graph in the domain of the Web Of Things (WoT), where the main objective of the platform is to provide a digital representation of the physical world and enable cross-domain applications to be built upon this massive and highly connected graph of things. In this context, as the knowledge graph grows in size, it is prone to have noisy and messy data. In this paper, we explore state-of-the-art knowledge graph embedding (KGE) methods to learn numerical representations of the graph entities and, subsequently, explore downstream tasks like link prediction, node classification, and triple classification. We also investigate Graph neural networks (GNN) alongside KGEs and compare their performance on the same downstream tasks. Our evaluation highlights the encouraging performance of both KGE and GNN-based methods on node classification, and the superiority of GNN approaches in the link prediction task. Overall, we show that state-of-the-art approaches are relevant in a WoT context, and this preliminary work provides insights to implement and evaluate them in this context.