Large language models (LLMs) have achieved unprecedented performances in various applications, yet evaluating them is still challenging. Existing benchmarks are either manually constructed or are automatic, but lack the ability to evaluate the thought process of LLMs with arbitrary complexity. We contend that utilizing existing relational databases based on the entity-relationship (ER) model is a promising approach for constructing benchmarks as they contain structured knowledge that can be used to question LLMs. Unlike knowledge graphs, which are also used to evaluate LLMs, relational databases have integrity constraints that can be used to better construct complex in-depth questions and verify answers: (1) functional dependencies can be used to pinpoint critical keywords that an LLM must know to properly answer a given question containing certain attribute values; and (2) foreign key constraints can be used to join relations and construct multi-hop questions, which can be arbitrarily long and used to debug intermediate answers. We thus propose ERBench, which uses these integrity constraints to convert any database into an LLM benchmark. ERBench supports continuous evaluation as databases change, multimodal questions, and various prompt engineering techniques. In our experiments, we construct LLM benchmarks using databases of multiple domains and make an extensive comparison of contemporary LLMs. We show how ERBench can properly evaluate any LLM by not only checking for answer correctness, but also effectively verifying the rationales by looking for the right keywords.
Accurate Urban SpatioTemporal Prediction (USTP) is of great importance to the development and operation of the smart city. As an emerging building block, multi-sourced urban data are usually integrated as urban knowledge graphs (UrbanKGs) to provide critical knowledge for urban spatiotemporal prediction models. However, existing UrbanKGs are often tailored for specific downstream prediction tasks and are not publicly available, which limits the potential advancement. This paper presents UUKG, the unified urban knowledge graph dataset for knowledge-enhanced urban spatiotemporal predictions. Specifically, we first construct UrbanKGs consisting of millions of triplets for two metropolises by connecting heterogeneous urban entities such as administrative boroughs, POIs, and road segments. Moreover, we conduct qualitative and quantitative analysis on constructed UrbanKGs and uncover diverse high-order structural patterns, such as hierarchies and cycles, that can be leveraged to benefit downstream USTP tasks. To validate and facilitate the use of UrbanKGs, we implement and evaluate 15 KG embedding methods on the KG completion task and integrate the learned KG embeddings into 9 spatiotemporal models for five different USTP tasks. The extensive experimental results not only provide benchmarks of knowledge-enhanced USTP models under different task settings but also highlight the potential of state-of-the-art high-order structure-aware UrbanKG embedding methods. We hope the proposed UUKG fosters research on urban knowledge graphs and broad smart city applications. The dataset and source code are available at https://github.com/usail-hkust/UUKG/.
Treatment effect estimation (TEE) is the task of determining the impact of various treatments on patient outcomes. Current TEE methods fall short due to reliance on limited labeled data and challenges posed by sparse and high-dimensional observational patient data. To address the challenges, we introduce a novel pre-training and fine-tuning framework, KG-TREAT, which synergizes large-scale observational patient data with biomedical knowledge graphs (KGs) to enhance TEE. Unlike previous approaches, KG-TREAT constructs dual-focus KGs and integrates a deep bi-level attention synergy method for in-depth information fusion, enabling distinct encoding of treatment-covariate and outcome-covariate relationships. KG-TREAT also incorporates two pre-training tasks to ensure a thorough grounding and contextualization of patient data and KGs. Evaluation on four downstream TEE tasks shows KG-TREAT's superiority over existing methods, with an average improvement of 7% in Area under the ROC Curve (AUC) and 9% in Influence Function-based Precision of Estimating Heterogeneous Effects (IF-PEHE). The effectiveness of our estimated treatment effects is further affirmed by alignment with established randomized clinical trial findings.
Knowledge graph completion (KGC) is a widely used method to tackle incompleteness in knowledge graphs (KGs) by making predictions for missing links. Description-based KGC leverages pre-trained language models to learn entity and relation representations with their names or descriptions, which shows promising results. However, the performance of description-based KGC is still limited by the quality of text and the incomplete structure, as it lacks sufficient entity descriptions and relies solely on relation names, leading to sub-optimal results. To address this issue, we propose MPIKGC, a general framework to compensate for the deficiency of contextualized knowledge and improve KGC by querying large language models (LLMs) from various perspectives, which involves leveraging the reasoning, explanation, and summarization capabilities of LLMs to expand entity descriptions, understand relations, and extract structures, respectively. We conducted extensive evaluation of the effectiveness and improvement of our framework based on four description-based KGC models and four datasets, for both link prediction and triplet classification tasks.
Knowledge graph question answering (KGQA) is a well-established field that seeks to provide factual answers to natural language (NL) questions by leveraging knowledge graphs (KGs). However, existing KGQA datasets suffer from two significant limitations: (1) no existing KGQA dataset requires commonsense reasoning to arrive at an answer and (2) existing KGQA datasets focus on popular entities for which large language models (LLMs) can directly answer without hallucinating and without leveraging the KG. In this work, we seek a novel KGQA dataset that supports commonsense reasoning and focuses on long-tail entities (e.g., non-mainstream and recent entities) where LLMs frequently hallucinate, and thus create the need for novel methodologies that leverage the KG for factual and attributable commonsense inference. We create a novel Commonsense Reasoning (CR) and Long-Tail (LT) KGQA dataset with two subtasks -- question answering and claim verification -- that address both limitations (1) and (2). We construct CR-LT-KGQA by building extensions to existing reasoning datasets StrategyQA and CREAK over Wikidata. While existing KGQA methods are not applicable due to their lack of commonsense inference support, baseline evaluation of LLMs on CR-LT KGQA demonstrate a high rate of hallucination. Thus, CR-LT KGQA poses significant challenges for hallucination-prone LLMs, hence paving the way for future commonsense KGQA research to provide accurate and factual answers for long-tail entities in the era of LLMs.
Recent studies have investigated utilizing Knowledge Graphs (KGs) to enhance Quesetion Answering (QA) performance of Large Language Models (LLMs), yet structured KG verbalization remains challengin. Existing methods, such as triple-form or free-form textual conversion of triple-form facts, encounter several issues. These include reduced evidence density due to duplicated entities or relationships, and reduced evidence clarity due to an inability to emphasize crucial evidence. To address these issues, we propose EFSum, an Evidence-focused Fact Summarization framework for enhanced QA with knowledge-augmented LLMs. We optimize an open-source LLM as a fact summarizer through distillation and preference alignment. Our extensive experiments show that EFSum improves LLM's zero-shot QA performance, and it is possible to ensure both the helpfulness and faithfulness of the summary.
Phishing attacks have inflicted substantial losses on individuals and businesses alike, necessitating the development of robust and efficient automated phishing detection approaches. Reference-based phishing detectors (RBPDs), which compare the logos on a target webpage to a known set of logos, have emerged as the state-of-the-art approach. However, a major limitation of existing RBPDs is that they rely on a manually constructed brand knowledge base, making it infeasible to scale to a large number of brands, which results in false negative errors due to the insufficient brand coverage of the knowledge base. To address this issue, we propose an automated knowledge collection pipeline, using which we collect a large-scale multimodal brand knowledge base, KnowPhish, containing 20k brands with rich information about each brand. KnowPhish can be used to boost the performance of existing RBPDs in a plug-and-play manner. A second limitation of existing RBPDs is that they solely rely on the image modality, ignoring useful textual information present in the webpage HTML. To utilize this textual information, we propose a Large Language Model (LLM)-based approach to extract brand information of webpages from text. Our resulting multimodal phishing detection approach, KnowPhish Detector (KPD), can detect phishing webpages with or without logos. We evaluate KnowPhish and KPD on a manually validated dataset, and a field study under Singapore's local context, showing substantial improvements in effectiveness and efficiency compared to state-of-the-art baselines.
Node Importance Estimation (NIE) is a task of inferring importance scores of the nodes in a graph. Due to the availability of richer data and knowledge, recent research interests of NIE have been dedicating to knowledge graphs for predicting future or missing node importance scores. Existing state-of-the-art NIE methods train the model by available labels, and they consider every interested node equally before training. However, the nodes with higher importance often require or receive more attention in real-world scenarios, e.g., people may care more about the movies or webpages with higher importance. To this end, we introduce Label Informed ContrAstive Pretraining (LICAP) to the NIE problem for being better aware of the nodes with high importance scores. Specifically, LICAP is a novel type of contrastive learning framework that aims to fully utilize the continuous labels to generate contrastive samples for pretraining embeddings. Considering the NIE problem, LICAP adopts a novel sampling strategy called top nodes preferred hierarchical sampling to first group all interested nodes into a top bin and a non-top bin based on node importance scores, and then divide the nodes within top bin into several finer bins also based on the scores. The contrastive samples are generated from those bins, and are then used to pretrain node embeddings of knowledge graphs via a newly proposed Predicate-aware Graph Attention Networks (PreGAT), so as to better separate the top nodes from non-top nodes, and distinguish the top nodes within top bin by keeping the relative order among finer bins. Extensive experiments demonstrate that the LICAP pretrained embeddings can further boost the performance of existing NIE methods and achieve the new state-of-the-art performance regarding both regression and ranking metrics. The source code for reproducibility is available at https://github.com/zhangtia16/LICAP
Multi-modal knowledge graph completion (MMKGC) aims to predict the missing triples in the multi-modal knowledge graphs by incorporating structural, visual, and textual information of entities into the discriminant models. The information from different modalities will work together to measure the triple plausibility. Existing MMKGC methods overlook the imbalance problem of modality information among entities, resulting in inadequate modal fusion and inefficient utilization of the raw modality information. To address the mentioned problems, we propose Adaptive Multi-modal Fusion and Modality Adversarial Training (AdaMF-MAT) to unleash the power of imbalanced modality information for MMKGC. AdaMF-MAT achieves multi-modal fusion with adaptive modality weights and further generates adversarial samples by modality-adversarial training to enhance the imbalanced modality information. Our approach is a co-design of the MMKGC model and training strategy which can outperform 19 recent MMKGC methods and achieve new state-of-the-art results on three public MMKGC benchmarks. Our code and data have been released at https://github.com/zjukg/AdaMF-MAT.
Multi-hop logical reasoning over knowledge graph (KG) plays a fundamental role in many artificial intelligence tasks. Recent complex query embedding (CQE) methods for reasoning focus on static KGs, while temporal knowledge graphs (TKGs) have not been fully explored. Reasoning over TKGs has two challenges: 1. The query should answer entities or timestamps; 2. The operators should consider both set logic on entity set and temporal logic on timestamp set. To bridge this gap, we define the multi-hop logical reasoning problem on TKGs. With generated three datasets, we propose the first temporal CQE named Temporal Feature-Logic Embedding framework (TFLEX) to answer the temporal complex queries. We utilize vector logic to compute the logic part of Temporal Feature-Logic embeddings, thus naturally modeling all First-Order Logic (FOL) operations on entity set. In addition, our framework extends vector logic on timestamp set to cope with three extra temporal operators (After, Before and Between). Experiments on numerous query patterns demonstrate the effectiveness of our method.
Complex Query Answering (CQA) over Knowledge Graphs (KGs) is a challenging task. Given that KGs are usually incomplete, neural models are proposed to solve CQA by performing multi-hop logical reasoning. However, most of them cannot perform well on both one-hop and multi-hop queries simultaneously. Recent work proposes a logical message passing mechanism based on the pre-trained neural link predictors. While effective on both one-hop and multi-hop queries, it ignores the difference between the constant and variable nodes in a query graph. In addition, during the node embedding update stage, this mechanism cannot dynamically measure the importance of different messages, and whether it can capture the implicit logical dependencies related to a node and received messages remains unclear. In this paper, we propose Conditional Logical Message Passing Transformer (CLMPT), which considers the difference between constants and variables in the case of using pre-trained neural link predictors and performs message passing conditionally on the node type. We empirically verified that this approach can reduce computational costs without affecting performance. Furthermore, CLMPT uses the transformer to aggregate received messages and update the corresponding node embedding. Through the self-attention mechanism, CLMPT can assign adaptive weights to elements in an input set consisting of received messages and the corresponding node and explicitly model logical dependencies between various elements. Experimental results show that CLMPT is a new state-of-the-art neural CQA model. https://github.com/qianlima-lab/CLMPT.
Large language models (LLMs) demonstrate strong reasoning abilities when prompted to generate chain-of-thought (CoT) explanations alongside answers. However, previous research on evaluating LLMs has solely focused on answer accuracy, neglecting the correctness of the generated CoT. In this paper, we delve deeper into the CoT reasoning capabilities of LLMs in multi-hop question answering by utilizing knowledge graphs (KGs). We propose a novel discriminative and generative CoT evaluation paradigm to assess LLMs' knowledge of reasoning and the accuracy of the generated CoT. Through experiments conducted on 5 different families of LLMs across 2 multi-hop question-answering datasets, we find that LLMs possess sufficient knowledge to perform reasoning. However, there exists a significant disparity between answer accuracy and faithfulness of the CoT reasoning generated by LLMs, indicating that they often arrive at correct answers through incorrect reasoning.
Compared with static knowledge graphs, temporal knowledge graphs (tKG), which can capture the evolution and change of information over time, are more realistic and general. However, due to the complexity that the notion of time introduces to the learning of the rules, an accurate graph reasoning, e.g., predicting new links between entities, is still a difficult problem. In this paper, we propose TILP, a differentiable framework for temporal logical rules learning. By designing a constrained random walk mechanism and the introduction of temporal operators, we ensure the efficiency of our model. We present temporal features modeling in tKG, e.g., recurrence, temporal order, interval between pair of relations, and duration, and incorporate it into our learning process. We compare TILP with state-of-the-art methods on two benchmark datasets. We show that our proposed framework can improve upon the performance of baseline methods while providing interpretable results. In particular, we consider various scenarios in which training samples are limited, data is biased, and the time range between training and inference are different. In all these cases, TILP works much better than the state-of-the-art methods.
Entity alignment (EA) aims to identify entities across different knowledge graphs that represent the same real-world objects. Recent embedding-based EA methods have achieved state-of-the-art performance in EA yet faced interpretability challenges as they purely rely on the embedding distance and neglect the logic rules behind a pair of aligned entities. In this paper, we propose the Align-Subgraph Entity Alignment (ASGEA) framework to exploit logic rules from Align-Subgraphs. ASGEA uses anchor links as bridges to construct Align-Subgraphs and spreads along the paths across KGs, which distinguishes it from the embedding-based methods. Furthermore, we design an interpretable Path-based Graph Neural Network, ASGNN, to effectively identify and integrate the logic rules across KGs. We also introduce a node-level multi-modal attention mechanism coupled with multi-modal enriched anchors to augment the Align-Subgraph. Our experimental results demonstrate the superior performance of ASGEA over the existing embedding-based methods in both EA and Multi-Modal EA (MMEA) tasks.
Knowledge graphs (KGs) have been increasingly employed for link prediction and recommendation using real-world datasets. However, the majority of current methods rely on static data, neglecting the dynamic nature and the hidden spatio-temporal attributes of real-world scenarios. This often results in suboptimal predictions and recommendations. Although there are effective spatio-temporal inference methods, they face challenges such as scalability with large datasets and inadequate semantic understanding, which impede their performance. To address these limitations, this paper introduces a novel framework - Simple Spatio-Temporal Knowledge Graph (SSTKG), for constructing and exploring spatio-temporal KGs. To integrate spatial and temporal data into KGs, our framework exploited through a new 3-step embedding method. Output embeddings can be used for future temporal sequence prediction and spatial information recommendation, providing valuable insights for various applications such as retail sales forecasting and traffic volume prediction. Our framework offers a simple but comprehensive way to understand the underlying patterns and trends in dynamic KG, thereby enhancing the accuracy of predictions and the relevance of recommendations. This work paves the way for more effective utilization of spatio-temporal data in KGs, with potential impacts across a wide range of sectors.
Knowledge Graph (KG) inductive reasoning, which aims to infer missing facts from new KGs that are not seen during training, has been widely adopted in various applications. One critical challenge of KG inductive reasoning is handling low-resource scenarios with scarcity in both textual and structural aspects. In this paper, we attempt to address this challenge with Large Language Models (LLMs). Particularly, we utilize the state-of-the-art LLMs to generate a graph-structural prompt to enhance the pre-trained Graph Neural Networks (GNNs), which brings us new methodological insights into the KG inductive reasoning methods, as well as high generalizability in practice. On the methodological side, we introduce a novel pretraining and prompting framework ProLINK, designed for low-resource inductive reasoning across arbitrary KGs without requiring additional training. On the practical side, we experimentally evaluate our approach on 36 low-resource KG datasets and find that ProLINK outperforms previous methods in three-shot, one-shot, and zero-shot reasoning tasks, exhibiting average performance improvements by 20%, 45%, and 147%, respectively. Furthermore, ProLINK demonstrates strong robustness for various LLM promptings as well as full-shot scenarios.
The exponential growth in scientific publications poses a severe challenge for human researchers. It forces attention to more narrow sub-fields, which makes it challenging to discover new impactful research ideas and collaborations outside one's own field. While there are ways to predict a scientific paper's future citation counts, they need the research to be finished and the paper written, usually assessing impact long after the idea was conceived. Here we show how to predict the impact of onsets of ideas that have never been published by researchers. For that, we developed a large evolving knowledge graph built from more than 21 million scientific papers. It combines a semantic network created from the content of the papers and an impact network created from the historic citations of papers. Using machine learning, we can predict the dynamic of the evolving network into the future with high accuracy (AUC values beyond 0.9 for most experiments), and thereby the impact of new research directions. We envision that the ability to predict the impact of new ideas will be a crucial component of future artificial muses that can inspire new impactful and interesting scientific ideas.
Aspect-based Sentiment Analysis (ABSA) evaluates sentiment expressions within a text to comprehend sentiment information. Previous studies integrated external knowledge, such as knowledge graphs, to enhance the semantic features in ABSA models. Recent research has examined the use of Graph Neural Networks (GNNs) on dependency and constituent trees for syntactic analysis. With the ongoing development of ABSA, more innovative linguistic and structural features are being incorporated (e.g. latent graph), but this also introduces complexity and confusion. As of now, a scalable framework for integrating diverse linguistic and structural features into ABSA does not exist. This paper presents the Extensible Multi-Granularity Fusion (EMGF) network, which integrates information from dependency and constituent syntactic, attention semantic , and external knowledge graphs. EMGF, equipped with multi-anchor triplet learning and orthogonal projection, efficiently harnesses the combined potential of each granularity feature and their synergistic interactions, resulting in a cumulative effect without additional computational expenses. Experimental findings on SemEval 2014 and Twitter datasets confirm EMGF's superiority over existing ABSA methods.
Personal knowledge graphs (PKGs) offer individuals a way to store and consolidate their fragmented personal data in a central place, improving service personalization while maintaining full user control. Despite their potential, practical PKG implementations with user-friendly interfaces remain scarce. This work addresses this gap by proposing a complete solution to represent, manage, and interface with PKGs. Our approach includes (1) a user-facing PKG Client, enabling end-users to administer their personal data easily via natural language statements, and (2) a service-oriented PKG API. To tackle the complexity of representing these statements within a PKG, we present an RDF-based PKG vocabulary that supports this, along with properties for access rights and provenance.
We report a mixture of expert strategy to create fine-tuned large language models using a deep layer-wise token-level approach based on low-rank adaptation (LoRA). Starting with a set of pre-trained LoRA adapters, our gating strategy uses the hidden states to dynamically mix adapted layers, allowing the resulting X-LoRA model to draw upon different capabilities and create never-before-used deep layer-wise combinations to solve tasks. The design is inspired by the biological principles of universality and diversity, where neural network building blocks are reused in different hierarchical manifestations. Hence, the X-LoRA model can be easily implemented for any existing large language model (LLM) without a need for modifications of the underlying structure. We develop a tailored X-LoRA model that offers scientific capabilities including forward/inverse analysis tasks and enhanced reasoning capability, focused on biomaterial analysis, protein mechanics and design. The impact of this work include access to readily expandable and adaptable models with strong domain knowledge and the capability to integrate across areas of knowledge. Featuring experts in biology, mathematics, reasoning, bio-inspired materials, mechanics and materials, chemistry, protein biophysics, mechanics and quantum-mechanics based molecular properties, we conduct a series of physics-focused case studies. We examine knowledge recall, protein mechanics forward/inverse tasks, protein design, adversarial agentic modeling including ontological knowledge graph construction, as well as molecular design. The model is capable not only of making quantitative predictions of nanomechanical properties of proteins or quantum mechanical molecular properties, but also reasons over the results and correctly predicts likely mechanisms that explain distinct molecular behaviors.