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.
The increasing demand for large-scale language models (LLMs) has highlighted the importance of efficient data retrieval mechanisms. Neural graph databases (NGDBs) have emerged as a promising approach to storing and querying graph-structured data in neural space, enabling the retrieval of relevant information for LLMs. However, existing NGDBs are typically designed to operate on a single graph, limiting their ability to reason across multiple graphs. Furthermore, the lack of support for multi-source graph data in existing NGDBs hinders their ability to capture the complexity and diversity of real-world data. In many applications, data is distributed across multiple sources, and the ability to reason across these sources is crucial for making informed decisions. This limitation is particularly problematic when dealing with sensitive graph data, as directly sharing and aggregating such data poses significant privacy risks. As a result, many applications that rely on NGDBs are forced to choose between compromising data privacy or sacrificing the ability to reason across multiple graphs. To address these limitations, we propose Federated Neural Graph Database (FedNGDB), a novel framework that enables reasoning over multi-source graph-based data while preserving privacy. FedNGDB leverages federated learning to collaboratively learn graph representations across multiple sources, enriching relationships between entities and improving the overall quality of the graph data. Unlike existing methods, FedNGDB can handle complex graph structures and relationships, making it suitable for various downstream tasks.
Recent advancements in generative models have established state-of-the-art benchmarks in the generation of molecules and novel drug candidates. Despite these successes, a significant gap persists between generative models and the utilization of extensive biomedical knowledge, often systematized within knowledge graphs, whose potential to inform and enhance generative processes has not been realized. In this paper, we present a novel approach that bridges this divide by developing a framework for knowledge-enhanced generative models called KARL. We develop a scalable methodology to extend the functionality of knowledge graphs while preserving semantic integrity, and incorporate this contextual information into a generative framework to guide a diffusion-based model. The integration of knowledge graph embeddings with our generative model furnishes a robust mechanism for producing novel drug candidates possessing specific characteristics while ensuring validity and synthesizability. KARL outperforms state-of-the-art generative models on both unconditional and targeted generation tasks.
Social networks are vital for information sharing, especially in the health sector for discussing diseases and treatments. These platforms, however, often feature posts as brief texts, posing challenges for Artificial Intelligence (AI) in understanding context. We introduce a novel hybrid approach combining community-maintained knowledge graphs (like Wikidata) with deep learning to enhance the categorization of social media posts. This method uses advanced entity recognizers and linkers (like Falcon 2.0) to connect short post entities to knowledge graphs. Knowledge graph embeddings (KGEs) and contextualized word embeddings (like BERT) are then employed to create rich, context-based representations of these posts. Our focus is on the health domain, particularly in identifying posts related to eating disorders (e.g., anorexia, bulimia) to aid healthcare providers in early diagnosis. We tested our approach on a dataset of 2,000 tweets about eating disorders, finding that merging word embeddings with knowledge graph information enhances the predictive models' reliability. This methodology aims to assist health experts in spotting patterns indicative of mental disorders, thereby improving early detection and accurate diagnosis for personalized medicine.
Clifford algebras are a natural generalization of the real numbers, the complex numbers, and the quaternions. So far, solely Clifford algebras of the form $Cl_{p,q}$ (i.e., algebras without nilpotent base vectors) have been studied in the context of knowledge graph embeddings. We propose to consider nilpotent base vectors with a nilpotency index of two. In these spaces, denoted $Cl_{p,q,r}$, allows generalizing over approaches based on dual numbers (which cannot be modelled using $Cl_{p,q}$) and capturing patterns that emanate from the absence of higher-order interactions between real and complex parts of entity embeddings. We design two new models for the discovery of the parameters $p$, $q$, and $r$. The first model uses a greedy search to optimize $p$, $q$, and $r$. The second predicts $(p, q,r)$ based on an embedding of the input knowledge graph computed using neural networks. The results of our evaluation on seven benchmark datasets suggest that nilpotent vectors can help capture embeddings better. Our comparison against the state of the art suggests that our approach generalizes better than other approaches on all datasets w.r.t. the MRR it achieves on validation data. We also show that a greedy search suffices to discover values of $p$, $q$ and $r$ that are close to optimal.
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.
Region based knowledge graph embeddings represent relations as geometric regions. This has the advantage that the rules which are captured by the model are made explicit, making it straightforward to incorporate prior knowledge and to inspect learned models. Unfortunately, existing approaches are severely restricted in their ability to model relational composition, and hence also their ability to model rules, thus failing to deliver on the main promise of region based models. With the aim of addressing these limitations, we investigate regions which are composed of axis-aligned octagons. Such octagons are particularly easy to work with, as intersections and compositions can be straightforwardly computed, while they are still sufficiently expressive to model arbitrary knowledge graphs. Among others, we also show that our octagon embeddings can properly capture a non-trivial class of rule bases. Finally, we show that our model achieves competitive experimental results.
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.
The rapid development of the autonomous driving industry has led to a significant accumulation of autonomous driving data. Consequently, there comes a growing demand for retrieving data to provide specialized optimization. However, directly applying previous image retrieval methods faces several challenges, such as the lack of global feature representation and inadequate text retrieval ability for complex driving scenes. To address these issues, firstly, we propose the BEV-TSR framework which leverages descriptive text as an input to retrieve corresponding scenes in the Bird's Eye View (BEV) space. Then to facilitate complex scene retrieval with extensive text descriptions, we employ a large language model (LLM) to extract the semantic features of the text inputs and incorporate knowledge graph embeddings to enhance the semantic richness of the language embedding. To achieve feature alignment between the BEV feature and language embedding, we propose Shared Cross-modal Embedding with a set of shared learnable embeddings to bridge the gap between these two modalities, and employ a caption generation task to further enhance the alignment. Furthermore, there lack of well-formed retrieval datasets for effective evaluation. To this end, we establish a multi-level retrieval dataset, nuScenes-Retrieval, based on the widely adopted nuScenes dataset. Experimental results on the multi-level nuScenes-Retrieval show that BEV-TSR achieves state-of-the-art performance, e.g., 85.78% and 87.66% top-1 accuracy on scene-to-text and text-to-scene retrieval respectively. Codes and datasets will be available.
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.
Prediction of vehicle lane change maneuvers has gained a lot of momentum in the last few years. Some recent works focus on predicting a vehicle's intention by predicting its trajectory first. This is not enough, as it ignores the context of the scene and the state of the surrounding vehicles (as they might be risky to the target vehicle). Other works assessed the risk made by the surrounding vehicles only by considering their existence around the target vehicle, or by considering the distance and relative velocities between them and the target vehicle as two separate numerical features. In this work, we propose a solution that leverages Knowledge Graphs (KGs) to anticipate lane changes based on linguistic contextual information in a way that goes well beyond the capabilities of current perception systems. Our solution takes the Time To Collision (TTC) with surrounding vehicles as input to assess the risk on the target vehicle. Moreover, our KG is trained on the HighD dataset using the TransE model to obtain the Knowledge Graph Embeddings (KGE). Then, we apply Bayesian inference on top of the KG using the embeddings learned during training. Finally, the model can predict lane changes two seconds ahead with 97.95% f1-score, which surpassed the state of the art, and three seconds before changing lanes with 93.60% f1-score.
Knowledge Graphs are a widely used method to represent relations between entities in various AI applications, and Graph Embedding has rapidly become a standard technique to represent Knowledge Graphs in such a way as to facilitate inferences and decisions. As this representation is obtained from behavioural data, and is not in a form readable by humans, there is a concern that it might incorporate unintended information that could lead to biases. We propose EXTRACT: a suite of Explainable and Transparent methods to ConTrol bias in knowledge graph embeddings, so as to assess and decrease the implicit presence of protected information. Our method uses Canonical Correlation Analysis (CCA) to investigate the presence, extent and origins of information leaks during training, then decomposes embeddings into a sum of their private attributes by solving a linear system. Our experiments, performed on the MovieLens1M dataset, show that a range of personal attributes can be inferred from a user's viewing behaviour and preferences, including gender, age, and occupation. Further experiments, performed on the KG20C citation dataset, show that the information about the conference in which a paper was published can be inferred from the citation network of that article. We propose four transparent methods to maintain the capability of the embedding to make the intended predictions without retaining unwanted information. A trade-off between these two goals is observed.
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.
The integration of path reasoning with language modeling in recommender systems has shown promise for enhancing explainability but often struggles with the authenticity of the explanations provided. Traditional models modify their architecture to produce entities and relations alternately--for example, employing separate heads for each in the model--which does not ensure the authenticity of paths reflective of actual Knowledge Graph (KG) connections. This misalignment can lead to user distrust due to the generation of corrupted paths. Addressing this, we introduce PEARLM (Path-based Explainable-Accurate Recommender based on Language Modelling), which innovates with a Knowledge Graph Constraint Decoding (KGCD) mechanism. This mechanism ensures zero incidence of corrupted paths by enforcing adherence to valid KG connections at the decoding level, agnostic of the underlying model architecture. By integrating direct token embedding learning from KG paths, PEARLM not only guarantees the generation of plausible and verifiable explanations but also highly enhances recommendation accuracy. We validate the effectiveness of our approach through a rigorous empirical assessment, employing a newly proposed metric that quantifies the integrity of explanation paths. Our results demonstrate a significant improvement over existing methods, effectively eliminating the generation of inaccurate paths and advancing the state-of-the-art in explainable recommender systems.
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.
Knowledge representation (KR) is vital in designing symbolic notations to represent real-world facts and facilitate automated decision-making tasks. Knowledge graphs (KGs) have emerged so far as a popular form of KR, offering a contextual and human-like representation of knowledge. In international economics, KGs have proven valuable in capturing complex interactions between commodities, companies, and countries. By putting the gravity model, which is a common economic framework, into the process of building KGs, important factors that affect trade relationships can be taken into account, making it possible to predict international trade patterns. This paper proposes an approach that leverages Knowledge Graph embeddings for modeling international trade, focusing on link prediction using embeddings. Thus, valuable insights are offered to policymakers, businesses, and economists, enabling them to anticipate the effects of changes in the international trade system. Moreover, the integration of traditional machine learning methods with KG embeddings, such as decision trees and graph neural networks are also explored. The research findings demonstrate the potential for improving prediction accuracy and provide insights into embedding explainability in knowledge representation. The paper also presents a comprehensive analysis of the influence of embedding methods on other intelligent algorithms.