Camera traps are important tools in animal ecology for biodiversity monitoring and conservation. However, their practical application is limited by issues such as poor generalization to new and unseen locations. Images are typically associated with diverse forms of context, which may exist in different modalities. In this work, we exploit the structured context linked to camera trap images to boost out-of-distribution generalization for species classification tasks in camera traps. For instance, a picture of a wild animal could be linked to details about the time and place it was captured, as well as structured biological knowledge about the animal species. While often overlooked by existing studies, incorporating such context offers several potential benefits for better image understanding, such as addressing data scarcity and enhancing generalization. However, effectively incorporating such heterogeneous context into the visual domain is a challenging problem. To address this, we propose a novel framework that transforms species classification as link prediction in a multimodal knowledge graph (KG). This framework enables the seamless integration of diverse multimodal contexts for visual recognition. We apply this framework for out-of-distribution species classification on the iWildCam2020-WILDS and Snapshot Mountain Zebra datasets and achieve competitive performance with state-of-the-art approaches. Furthermore, our framework enhances sample efficiency for recognizing under-represented species.
Knowledge Graphs (KGs) have emerged as invaluable resources for enriching recommendation systems by providing a wealth of factual information and capturing semantic relationships among items. Leveraging KGs can significantly enhance recommendation performance. However, not all relations within a KG are equally relevant or beneficial for the target recommendation task. In fact, certain item-entity connections may introduce noise or lack informative value, thus potentially misleading our understanding of user preferences. To bridge this research gap, we propose a novel knowledge graph diffusion model for recommendation, referred to as DiffKG. Our framework integrates a generative diffusion model with a data augmentation paradigm, enabling robust knowledge graph representation learning. This integration facilitates a better alignment between knowledge-aware item semantics and collaborative relation modeling. Moreover, we introduce a collaborative knowledge graph convolution mechanism that incorporates collaborative signals reflecting user-item interaction patterns, guiding the knowledge graph diffusion process. We conduct extensive experiments on three publicly available datasets, consistently demonstrating the superiority of our DiffKG compared to various competitive baselines. We provide the source code repository of our proposed DiffKG model at the following link: https://github.com/HKUDS/DiffKG.
Abductive reasoning is the process of making educated guesses to provide explanations for observations. Although many applications require the use of knowledge for explanations, the utilization of abductive reasoning in conjunction with structured knowledge, such as a knowledge graph, remains largely unexplored. To fill this gap, this paper introduces the task of complex logical hypothesis generation, as an initial step towards abductive logical reasoning with KG. In this task, we aim to generate a complex logical hypothesis so that it can explain a set of observations. We find that the supervised trained generative model can generate logical hypotheses that are structurally closer to the reference hypothesis. However, when generalized to unseen observations, this training objective does not guarantee better hypothesis generation. To address this, we introduce the Reinforcement Learning from Knowledge Graph (RLF-KG) method, which minimizes differences between observations and conclusions drawn from generated hypotheses according to the KG. Experiments show that, with RLF-KG's assistance, the generated hypotheses provide better explanations, and achieve state-of-the-art results on three widely used KGs.
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.
Temporal knowledge graphs represent temporal facts $(s,p,o,\tau)$ relating a subject $s$ and an object $o$ via a relation label $p$ at time $\tau$, where $\tau$ could be a time point or time interval. Temporal knowledge graphs may exhibit static temporal patterns at distinct points in time and dynamic temporal patterns between different timestamps. In order to learn a rich set of static and dynamic temporal patterns and apply them for inference, several embedding approaches have been suggested in the literature. However, as most of them resort to single underlying embedding spaces, their capability to model all kinds of temporal patterns was severely limited by having to adhere to the geometric property of their one embedding space. We lift this limitation by an embedding approach that maps temporal facts into a product space of several heterogeneous geometric subspaces with distinct geometric properties, i.e.\ Complex, Dual, and Split-complex spaces. In addition, we propose a temporal-geometric attention mechanism to integrate information from different geometric subspaces conveniently according to the captured relational and temporal information. Experimental results on standard temporal benchmark datasets favorably evaluate our approach against state-of-the-art models.
Aiming to accurately predict missing edges representing relations between entities, which are pervasive in real-world Knowledge Graphs (KGs), relation prediction plays a critical role in enhancing the comprehensiveness and utility of KGs. Recent research focuses on path-based methods due to their inductive and explainable properties. However, these methods face a great challenge when lots of reasoning paths do not form Closed Paths (CPs) in the KG. To address this challenge, we propose Anchoring Path Sentence Transformer (APST) by introducing Anchoring Paths (APs) to alleviate the reliance of CPs. Specifically, we develop a search-based description retrieval method to enrich entity descriptions and an assessment mechanism to evaluate the rationality of APs. APST takes both APs and CPs as the inputs of a unified Sentence Transformer architecture, enabling comprehensive predictions and high-quality explanations. We evaluate APST on three public datasets and achieve state-of-the-art (SOTA) performance in 30 of 36 transductive, inductive, and few-shot experimental settings.
Multi-hop Knowledge Base Question Answering(KBQA) aims to find the answer entity in a knowledge graph (KG), which requires multiple steps of reasoning. Existing retrieval-based approaches solve this task by concentrating on the specific relation at different hops and predicting the intermediate entity within the reasoning path. During the reasoning process of these methods, the representation of relations are fixed but the initial relation representation may not be optimal. We claim they fail to utilize information from head-tail entities and the semantic connection between relations to enhance the current relation representation, which undermines the ability to capture information of relations in KGs. To address this issue, we construct a \textbf{dual relation graph} where each node denotes a relation in the original KG (\textbf{primal entity graph}) and edges are constructed between relations sharing same head or tail entities. Then we iteratively do primal entity graph reasoning, dual relation graph information propagation, and interaction between these two graphs. In this way, the interaction between entity and relation is enhanced, and we derive better entity and relation representations. Experiments on two public datasets, WebQSP and CWQ, show that our approach achieves a significant performance gain over the prior state-of-the-art. Our code is available on \url{https://github.com/yanmenxue/RAH-KBQA}.
Knowledge graphs (KGs) often contain various errors. Previous works on detecting errors in KGs mainly rely on triplet embedding from graph structure. We conduct an empirical study and find that these works struggle to discriminate noise from semantically-similar correct triplets. In this paper, we propose a KG error detection model CCA to integrate both textual and graph structural information from triplet reconstruction for better distinguishing semantics. We design interactive contrastive learning to capture the differences between textual and structural patterns. Furthermore, we construct realistic datasets with semantically-similar noise and adversarial noise. Experimental results demonstrate that CCA outperforms state-of-the-art baselines, especially in detecting semantically-similar noise and adversarial noise.
Reasoning on large-scale knowledge graphs has been long dominated by embedding methods. While path-based methods possess the inductive capacity that embeddings lack, their scalability is limited by the exponential number of paths. Here we present A*Net, a scalable path-based method for knowledge graph reasoning. Inspired by the A* algorithm for shortest path problems, our A*Net learns a priority function to select important nodes and edges at each iteration, to reduce time and memory footprint for both training and inference. The ratio of selected nodes and edges can be specified to trade off between performance and efficiency. Experiments on both transductive and inductive knowledge graph reasoning benchmarks show that A*Net achieves competitive performance with existing state-of-the-art path-based methods, while merely visiting 10% nodes and 10% edges at each iteration. On a million-scale dataset ogbl-wikikg2, A*Net not only achieves a new state-of-the-art result, but also converges faster than embedding methods. A*Net is the first path-based method for knowledge graph reasoning at such scale.
The development of large language models (LLMs) has been catalyzed by advancements in pre-training techniques. These models have demonstrated robust reasoning capabilities through manually designed prompts. In this work, we evaluate the conversational reasoning capabilities of the current state-of-the-art LLM (GPT-4) on knowledge graphs (KGs). However, the performance of LLMs is constrained due to a lack of KG environment awareness and the difficulties in developing effective optimization mechanisms for intermediary reasoning stages. We further introduce LLM-ARK, a LLM grounded KG reasoning agent designed to deliver precise and adaptable predictions on KG paths. LLM-ARK leverages Full Textual Environment (FTE) prompt to assimilate state information within each reasoning step. We reframe the challenge of multi-hop reasoning on the KG as a sequential decision-making task. Utilizing the Proximal Policy Optimization (PPO) online policy gradient reinforcement learning algorithm, our model is optimized to learn from rich reward signals. Additionally, we conduct an evaluation of our model and GPT-4 on the OpenDialKG dataset. The experimental results reveal that LLaMA-2-7B-ARK outperforms the current state-of-the-art model by 5.28 percentage points, with a performance rate of 36.39% on the target@1 evaluation metric. Meanwhile, GPT-4 scored 14.91%, further demonstrating the effectiveness of our method. Our code is available on GitHub (https://github.com/Aipura/LLM-ARK) for further access.
The increasing availability of Massive Open Online Courses (MOOCs) has created a necessity for personalized course recommendation systems. These systems often combine neural networks with Knowledge Graphs (KGs) to achieve richer representations of learners and courses. While these enriched representations allow more accurate and personalized recommendations, explainability remains a significant challenge which is especially problematic for certain domains with significant impact such as education and online learning. Recently, a novel class of recommender systems that uses reinforcement learning and graph reasoning over KGs has been proposed to generate explainable recommendations in the form of paths over a KG. Despite their accuracy and interpretability on e-commerce datasets, these approaches have scarcely been applied to the educational domain and their use in practice has not been studied. In this work, we propose an explainable recommendation system for MOOCs that uses graph reasoning. To validate the practical implications of our approach, we conducted a user study examining user perceptions of our new explainable recommendations. We demonstrate the generalizability of our approach by conducting experiments on two educational datasets: COCO and Xuetang.
Link prediction is a crucial research area in knowledge graphs, with many downstream applications. In many real-world scenarios, inductive link prediction is required, where predictions have to be made among unseen entities. Embedding-based models usually need fine-tuning on new entity embeddings, and hence are difficult to be directly applied to inductive link prediction tasks. Logical rules captured by rule-based models can be directly applied to new entities with the same graph typologies, but the captured rules are discrete and usually lack generosity. Graph neural networks (GNNs) can generalize topological information to new graphs taking advantage of deep neural networks, which however may still need fine-tuning on new entity embeddings. In this paper, we propose SiaILP, a path-based model for inductive link prediction using siamese neural networks. Our model only depends on relation and path embeddings, which can be generalized to new entities without fine-tuning. Experiments show that our model achieves several new state-of-the-art performances in link prediction tasks using inductive versions of WN18RR, FB15k-237, and Nell995. Our code is available at \url{https://github.com/canlinzhang/SiaILP}.
Conversational recommender systems (CRS) utilize natural language interactions and dialogue history to infer user preferences and provide accurate recommendations. Due to the limited conversation context and background knowledge, existing CRSs rely on external sources such as knowledge graphs to enrich the context and model entities based on their inter-relations. However, these methods ignore the rich intrinsic information within entities. To address this, we introduce the Knowledge-Enhanced Entity Representation Learning (KERL) framework, which leverages both the knowledge graph and a pre-trained language model to improve the semantic understanding of entities for CRS. In our KERL framework, entity textual descriptions are encoded via a pre-trained language model, while a knowledge graph helps reinforce the representation of these entities. We also employ positional encoding to effectively capture the temporal information of entities in a conversation. The enhanced entity representation is then used to develop a recommender component that fuses both entity and contextual representations for more informed recommendations, as well as a dialogue component that generates informative entity-related information in the response text. A high-quality knowledge graph with aligned entity descriptions is constructed to facilitate our study, namely the Wiki Movie Knowledge Graph (WikiMKG). The experimental results show that KERL achieves state-of-the-art results in both recommendation and response generation tasks.
Multimodal knowledge bases (MMKBs) provide cross-modal aligned knowledge crucial for multimodal tasks. However, the images in existing MMKBs are generally collected for entities in encyclopedia knowledge graphs. Therefore, detailed groundings of visual semantics with linguistic concepts are lacking, which are essential for the visual concept cognition ability of multimodal models. Addressing this gap, we introduce M^2ConceptBase, the first concept-centric MMKB. M^2ConceptBase models concepts as nodes with associated images and detailed textual descriptions. We propose a context-aware multimodal symbol grounding approach to align concept-image and concept-description pairs using context information from image-text datasets. Comprising 951K images and 152K concepts, M^2ConceptBase links each concept to an average of 6.27 images and a single description, ensuring comprehensive visual and textual semantics. Human studies confirm more than 95% alignment accuracy, underscoring its quality. Additionally, our experiments demonstrate that M^2ConceptBase significantly enhances VQA model performance on the OK-VQA task. M^2ConceptBase also substantially improves the fine-grained concept understanding capabilities of multimodal large language models through retrieval augmentation in two concept-related tasks, highlighting its value.
Trajectory prediction in traffic scenes involves accurately forecasting the behaviour of surrounding vehicles. To achieve this objective it is crucial to consider contextual information, including the driving path of vehicles, road topology, lane dividers, and traffic rules. Although studies demonstrated the potential of leveraging heterogeneous context for improving trajectory prediction, state-of-the-art deep learning approaches still rely on a limited subset of this information. This is mainly due to the limited availability of comprehensive representations. This paper presents an approach that utilizes knowledge graphs to model the diverse entities and their semantic connections within traffic scenes. Further, we present nuScenes Knowledge Graph (nSKG), a knowledge graph for the nuScenes dataset, that models explicitly all scene participants and road elements, as well as their semantic and spatial relationships. To facilitate the usage of the nSKG via graph neural networks for trajectory prediction, we provide the data in a format, ready-to-use by the PyG library. All artefacts can be found here: https://github.com/boschresearch/nuScenes_Knowledge_Graph
Reasoning with knowledge graphs (KGs) has primarily focused on triple-shaped facts. Recent advancements have been explored to enhance the semantics of these facts by incorporating more potent representations, such as hyper-relational facts. However, these approaches are limited to \emph{atomic facts}, which describe a single piece of information. This paper extends beyond \emph{atomic facts} and delves into \emph{nested facts}, represented by quoted triples where subjects and objects are triples themselves (e.g., ((\emph{BarackObama}, \emph{holds\_position}, \emph{President}), \emph{succeed\_by}, (\emph{DonaldTrump}, \emph{holds\_position}, \emph{President}))). These nested facts enable the expression of complex semantics like \emph{situations} over time and \emph{logical patterns} over entities and relations. In response, we introduce NestE, a novel KG embedding approach that captures the semantics of both atomic and nested factual knowledge. NestE represents each atomic fact as a $1\times3$ matrix, and each nested relation is modeled as a $3\times3$ matrix that rotates the $1\times3$ atomic fact matrix through matrix multiplication. Each element of the matrix is represented as a complex number in the generalized 4D hypercomplex space, including (spherical) quaternions, hyperbolic quaternions, and split-quaternions. Through thorough analysis, we demonstrate the embedding's efficacy in capturing diverse logical patterns over nested facts, surpassing the confines of first-order logic-like expressions. Our experimental results showcase NestE's significant performance gains over current baselines in triple prediction and conditional link prediction. The code and pre-trained models are open available at https://github.com/xiongbo010/NestE.
Objective: Biomedical Knowledge Graphs play a pivotal role in various biomedical research domains. Concurrently, term clustering emerges as a crucial step in constructing these knowledge graphs, aiming to identify synonymous terms. Due to a lack of knowledge, previous contrastive learning models trained with Unified Medical Language System (UMLS) synonyms struggle at clustering difficult terms and do not generalize well beyond UMLS terms. In this work, we leverage the world knowledge from Large Language Models (LLMs) and propose Contrastive Learning for Representing Terms via Explanations (CoRTEx) to enhance term representation and significantly improves term clustering. Materials and Methods: The model training involves generating explanations for a cleaned subset of UMLS terms using ChatGPT. We employ contrastive learning, considering term and explanation embeddings simultaneously, and progressively introduce hard negative samples. Additionally, a ChatGPT-assisted BIRCH algorithm is designed for efficient clustering of a new ontology. Results: We established a clustering test set and a hard negative test set, where our model consistently achieves the highest F1 score. With CoRTEx embeddings and the modified BIRCH algorithm, we grouped 35,580,932 terms from the Biomedical Informatics Ontology System (BIOS) into 22,104,559 clusters with O(N) queries to ChatGPT. Case studies highlight the model's efficacy in handling challenging samples, aided by information from explanations. Conclusion: By aligning terms to their explanations, CoRTEx demonstrates superior accuracy over benchmark models and robustness beyond its training set, and it is suitable for clustering terms for large-scale biomedical ontologies.
Molecular interaction prediction plays a crucial role in forecasting unknown interactions between molecules, such as drug-target interaction (DTI) and drug-drug interaction (DDI), which are essential in the field of drug discovery and therapeutics. Although previous prediction methods have yielded promising results by leveraging the rich semantics and topological structure of biomedical knowledge graphs (KGs), they have primarily focused on enhancing predictive performance without addressing the presence of inevitable noise and inconsistent semantics. This limitation has hindered the advancement of KG-based prediction methods. To address this limitation, we propose BioKDN (Biomedical Knowledge Graph Denoising Network) for robust molecular interaction prediction. BioKDN refines the reliable structure of local subgraphs by denoising noisy links in a learnable manner, providing a general module for extracting task-relevant interactions. To enhance the reliability of the refined structure, BioKDN maintains consistent and robust semantics by smoothing relations around the target interaction. By maximizing the mutual information between reliable structure and smoothed relations, BioKDN emphasizes informative semantics to enable precise predictions. Experimental results on real-world datasets show that BioKDN surpasses state-of-the-art models in DTI and DDI prediction tasks, confirming the effectiveness and robustness of BioKDN in denoising unreliable interactions within contaminated KGs
Entity alignment (EA) seeks identical entities in different knowledge graphs, which is a long-standing task in the database research. Recent work leverages deep learning to embed entities in vector space and align them via nearest neighbor search. Although embedding-based EA has gained marked success in recent years, it lacks explanations for alignment decisions. In this paper, we present the first framework that can generate explanations for understanding and repairing embedding-based EA results. Given an EA pair produced by an embedding model, we first compare its neighbor entities and relations to build a matching subgraph as a local explanation. We then construct an alignment dependency graph to understand the pair from an abstract perspective. Finally, we repair the pair by resolving three types of alignment conflicts based on dependency graphs. Experiments on a variety of EA datasets demonstrate the effectiveness, generalization, and robustness of our framework in explaining and repairing embedding-based EA results.
Graph neural networks are prominent models for representation learning over graph-structured data. While the capabilities and limitations of these models are well-understood for simple graphs, our understanding remains incomplete in the context of knowledge graphs. Our goal is to provide a systematic understanding of the landscape of graph neural networks for knowledge graphs pertaining to the prominent task of link prediction. Our analysis entails a unifying perspective on seemingly unrelated models and unlocks a series of other models. The expressive power of various models is characterized via a corresponding relational Weisfeiler-Leman algorithm. This analysis is extended to provide a precise logical characterization of the class of functions captured by a class of graph neural networks. The theoretical findings presented in this paper explain the benefits of some widely employed practical design choices, which are validated empirically.