Daily Papers

Knowledge Graph Question Answering (KGQA) aims to answer user-questions from a knowledge graph (KG) by identifying the reasoning relations between topic entity and answer. As a complex branch task of KGQA, multi-hop KGQA requires reasoning over the multi-hop relational chain preserved in KG to arrive at the right answer. Despite recent successes, the existing works on answering multi-hop complex questions still face the following challenges: i) The absence of an explicit relational chain order reflected in user-question stems from a misunderstanding of a user's intentions. ii) Incorrectly capturing relational types on weak supervision of which dataset lacks intermediate reasoning chain annotations due to expensive labeling cost. iii) Failing to consider implicit relations between the topic entity and the answer implied in structured KG because of limited neighborhoods size constraint in subgraph retrieval-based algorithms.To address these issues in multi-hop KGQA, we propose a novel model herein, namely Relational Chain based Embedded KGQA (Rce-KGQA), which simultaneously utilizes the explicit relational chain revealed in natural language question and the implicit relational chain stored in structured KG. Our extensive empirical study on three open-domain benchmarks proves that our method significantly outperforms the state-of-the-art counterparts like GraftNet, PullNet and EmbedKGQA. Comprehensive ablation experiments also verify the effectiveness of our method on the multi-hop KGQA task. We have made our model's source code available at github: https://github.com/albert-jin/Rce-KGQA.

We extend the simply-typed guarded lambda-calculus with discrete probabilities and endow it with a program logic for reasoning about relational properties of guarded probabilistic computations. This provides a framework for programming and reasoning about infinite stochastic processes like Markov chains. We demonstrate the logic sound by interpreting its judgements in the topos of trees and by using probabilistic couplings for the semantics of relational assertions over distributions on discrete types. The program logic is designed to support syntax-directed proofs in the style of relational refinement types, but retains the expressiveness of higher-order logic extended with discrete distributions, and the ability to reason relationally about expressions that have different types or syntactic structure. In addition, our proof system leverages a well-known theorem from the coupling literature to justify better proof rules for relational reasoning about probabilistic expressions. We illustrate these benefits with a broad range of examples that were beyond the scope of previous systems, including shift couplings and lump couplings between random walks.

This paper is concerned with learning to solve tasks that require a chain of interdependent steps of relational inference, like answering complex questions about the relationships between objects, or solving puzzles where the smaller elements of a solution mutually constrain each other. We introduce the recurrent relational network, a general purpose module that operates on a graph representation of objects. As a generalization of Santoro et al. [2017]'s relational network, it can augment any neural network model with the capacity to do many-step relational reasoning. We achieve state of the art results on the bAbI textual question-answering dataset with the recurrent relational network, consistently solving 20/20 tasks. As bAbI is not particularly challenging from a relational reasoning point of view, we introduce Pretty-CLEVR, a new diagnostic dataset for relational reasoning. In the Pretty-CLEVR set-up, we can vary the question to control for the number of relational reasoning steps that are required to obtain the answer. Using Pretty-CLEVR, we probe the limitations of multi-layer perceptrons, relational and recurrent relational networks. Finally, we show how recurrent relational networks can learn to solve Sudoku puzzles from supervised training data, a challenging task requiring upwards of 64 steps of relational reasoning. We achieve state-of-the-art results amongst comparable methods by solving 96.6% of the hardest Sudoku puzzles.

Developing models that can learn to reason is a notoriously challenging problem. We focus on reasoning in relational domains, where the use of Graph Neural Networks (GNNs) seems like a natural choice. However, previous work has shown that regular GNNs lack the ability to systematically generalize from training examples on test graphs requiring longer inference chains, which fundamentally limits their reasoning abilities. A common solution relies on neuro-symbolic methods that systematically reason by learning rules, but their scalability is often limited and they tend to make unrealistically strong assumptions, e.g.\ that the answer can always be inferred from a single relational path. We propose the Epistemic GNN (EpiGNN), a novel parameter-efficient and scalable GNN architecture with an epistemic inductive bias for systematic reasoning. Node embeddings in EpiGNNs are treated as epistemic states, and message passing is implemented accordingly. We show that EpiGNNs achieve state-of-the-art results on link prediction tasks that require systematic reasoning. Furthermore, for inductive knowledge graph completion, EpiGNNs rival the performance of state-of-the-art specialized approaches. Finally, we introduce two new benchmarks that go beyond standard relational reasoning by requiring the aggregation of information from multiple paths. Here, existing neuro-symbolic approaches fail, yet EpiGNNs learn to reason accurately. Code and datasets are available at https://github.com/erg0dic/gnn-sg.

Relational databases (RDBs) are composed of interconnected tables, where relationships between them are defined through foreign keys. Recent research on applying machine learning to RDBs has explored graph-based representations of RDBs, where rows of tables are modeled as nodes, and foreign key relationships are modeled as edges. RDB-to-graph modeling helps capture cross-table dependencies, ultimately leading to enhanced performance across diverse tasks. However, there are numerous ways to model RDBs as graphs, and performance varies significantly depending on the chosen graph model. In our analysis, applying a common heuristic rule for graph modeling leads to up to a 10% drop in performance compared to the best-performing graph model, which remains non-trivial to identify. To foster research on intelligent RDB-to-graph modeling, we introduce RDB2G-Bench, the first benchmark framework for evaluating such methods. We construct extensive datasets covering 5 real-world RDBs and 12 predictive tasks, resulting in around 50k graph-performance pairs for efficient and reproducible evaluations. Thanks to our precomputed datasets, we were able to benchmark 9 automatic RDB-to-graph modeling methods on the 12 tasks over 600x faster than on-the-fly evaluation, which requires repeated model training. Our analysis of the datasets and benchmark results reveals key structural patterns affecting graph model effectiveness, along with practical implications for effective graph modeling.

Much of the world's most valued data is stored in relational databases and data warehouses, where the data is organized into many tables connected by primary-foreign key relations. However, building machine learning models using this data is both challenging and time consuming. The core problem is that no machine learning method is capable of learning on multiple tables interconnected by primary-foreign key relations. Current methods can only learn from a single table, so the data must first be manually joined and aggregated into a single training table, the process known as feature engineering. Feature engineering is slow, error prone and leads to suboptimal models. Here we introduce an end-to-end deep representation learning approach to directly learn on data laid out across multiple tables. We name our approach Relational Deep Learning (RDL). The core idea is to view relational databases as a temporal, heterogeneous graph, with a node for each row in each table, and edges specified by primary-foreign key links. Message Passing Graph Neural Networks can then automatically learn across the graph to extract representations that leverage all input data, without any manual feature engineering. Relational Deep Learning leads to more accurate models that can be built much faster. To facilitate research in this area, we develop RelBench, a set of benchmark datasets and an implementation of Relational Deep Learning. The data covers a wide spectrum, from discussions on Stack Exchange to book reviews on the Amazon Product Catalog. Overall, we define a new research area that generalizes graph machine learning and broadens its applicability to a wide set of AI use cases.

In self-supervised learning, a system is tasked with achieving a surrogate objective by defining alternative targets on a set of unlabeled data. The aim is to build useful representations that can be used in downstream tasks, without costly manual annotation. In this work, we propose a novel self-supervised formulation of relational reasoning that allows a learner to bootstrap a signal from information implicit in unlabeled data. Training a relation head to discriminate how entities relate to themselves (intra-reasoning) and other entities (inter-reasoning), results in rich and descriptive representations in the underlying neural network backbone, which can be used in downstream tasks such as classification and image retrieval. We evaluate the proposed method following a rigorous experimental procedure, using standard datasets, protocols, and backbones. Self-supervised relational reasoning outperforms the best competitor in all conditions by an average 14% in accuracy, and the most recent state-of-the-art model by 3%. We link the effectiveness of the method to the maximization of a Bernoulli log-likelihood, which can be considered as a proxy for maximizing the mutual information, resulting in a more efficient objective with respect to the commonly used contrastive losses.

We propose a novel Chain Guided Retriever-reader ({\tt CGR}) framework to model the reasoning chain for multi-hop Science Question Answering. Our framework is capable of performing explainable reasoning without the need of any corpus-specific annotations, such as the ground-truth reasoning chain, or human-annotated entity mentions. Specifically, we first generate reasoning chains from a semantic graph constructed by Abstract Meaning Representation of retrieved evidence facts. A Chain-aware loss, concerning both local and global chain information, is also designed to enable the generated chains to serve as distant supervision signals for training the retriever, where reinforcement learning is also adopted to maximize the utility of the reasoning chains. Our framework allows the retriever to capture step-by-step clues of the entire reasoning process, which is not only shown to be effective on two challenging multi-hop Science QA tasks, namely OpenBookQA and ARC-Challenge, but also favors explainability.

The relational data model was designed to facilitate large-scale data management and analytics. We consider the problem of how to differentiate computations expressed relationally. We show experimentally that a relational engine running an auto-differentiated relational algorithm can easily scale to very large datasets, and is competitive with state-of-the-art, special-purpose systems for large-scale distributed machine learning.

Real-world databases are predominantly relational, comprising multiple interlinked tables that contain complex structural and statistical dependencies. Learning generative models on relational data has shown great promise in generating synthetic data and imputing missing values. However, existing methods often struggle to capture this complexity, typically reducing relational data to conditionally generated flat tables and imposing limiting structural assumptions. To address these limitations, we introduce RelDiff, a novel diffusion generative model that synthesizes complete relational databases by explicitly modeling their foreign key graph structure. RelDiff combines a joint graph-conditioned diffusion process across all tables for attribute synthesis, and a 2K+SBM graph generator based on the Stochastic Block Model for structure generation. The decomposition of graph structure and relational attributes ensures both high fidelity and referential integrity, both of which are crucial aspects of synthetic relational database generation. Experiments on 11 benchmark datasets demonstrate that RelDiff consistently outperforms prior methods in producing realistic and coherent synthetic relational databases. Code is available at https://github.com/ValterH/RelDiff.

Knowledge graphs enable a wide variety of applications, including question answering and information retrieval. Despite the great effort invested in their creation and maintenance, even the largest (e.g., Yago, DBPedia or Wikidata) remain incomplete. We introduce Relational Graph Convolutional Networks (R-GCNs) and apply them to two standard knowledge base completion tasks: Link prediction (recovery of missing facts, i.e. subject-predicate-object triples) and entity classification (recovery of missing entity attributes). R-GCNs are related to a recent class of neural networks operating on graphs, and are developed specifically to deal with the highly multi-relational data characteristic of realistic knowledge bases. We demonstrate the effectiveness of R-GCNs as a stand-alone model for entity classification. We further show that factorization models for link prediction such as DistMult can be significantly improved by enriching them with an encoder model to accumulate evidence over multiple inference steps in the relational graph, demonstrating a large improvement of 29.8% on FB15k-237 over a decoder-only baseline.

Knowledge distillation aims at transferring knowledge acquired in one model (a teacher) to another model (a student) that is typically smaller. Previous approaches can be expressed as a form of training the student to mimic output activations of individual data examples represented by the teacher. We introduce a novel approach, dubbed relational knowledge distillation (RKD), that transfers mutual relations of data examples instead. For concrete realizations of RKD, we propose distance-wise and angle-wise distillation losses that penalize structural differences in relations. Experiments conducted on different tasks show that the proposed method improves educated student models with a significant margin. In particular for metric learning, it allows students to outperform their teachers' performance, achieving the state of the arts on standard benchmark datasets.

In this paper, we propose a novel learning paradigm, termed Chain-of-Model (CoM), which incorporates the causal relationship into the hidden states of each layer as a chain style, thereby introducing great scaling efficiency in model training and inference flexibility in deployment. We introduce the concept of Chain-of-Representation (CoR), which formulates the hidden states at each layer as a combination of multiple sub-representations (i.e., chains) at the hidden dimension level. In each layer, each chain from the output representations can only view all of its preceding chains in the input representations. Consequently, the model built upon CoM framework can progressively scale up the model size by increasing the chains based on the previous models (i.e., chains), and offer multiple sub-models at varying sizes for elastic inference by using different chain numbers. Based on this principle, we devise Chain-of-Language-Model (CoLM), which incorporates the idea of CoM into each layer of Transformer architecture. Based on CoLM, we further introduce CoLM-Air by introducing a KV sharing mechanism, that computes all keys and values within the first chain and then shares across all chains. This design demonstrates additional extensibility, such as enabling seamless LM switching, prefilling acceleration and so on. Experimental results demonstrate our CoLM family can achieve comparable performance to the standard Transformer, while simultaneously enabling greater flexiblity, such as progressive scaling to improve training efficiency and offer multiple varying model sizes for elastic inference, paving a a new way toward building language models. Our code will be released in the future at: https://github.com/microsoft/CoLM.

Answering complex real-world questions often requires accurate retrieval from textual knowledge graphs (TKGs). The scarcity of annotated data, along with intricate topological structures, makes this task particularly challenging. As the nature of relational path information could enhance the inference ability of Large Language Models (LLMs), efficiently retrieving more complex relational path information from TKGs presents another key challenge. To tackle these challenges, we first develop a Dataset for LLMs Complex Reasoning over Textual Knowledge Graphs (RiTeK) with a broad topological structure coverage.We synthesize realistic user queries that integrate diverse topological structures, relational information, and complex textual descriptions. We conduct rigorous expert evaluation to validate the quality of our synthesized queries. And then, we introduce an enhanced Monte Carlo Tree Search (MCTS) method, Relational MCTS, to automatically extract relational path information from textual graphs for specific queries. Our dataset mainly covers the medical domain as the relation types and entity are complex and publicly available. Experimental results indicate that RiTeK poses significant challenges for current retrieval and LLM systems, while the proposed Relational MCTS method enhances LLM inference ability and achieves state-of-the-art performance on RiTeK.

Knowledge graph embedding refers to projecting entities and relations in knowledge graph into continuous vector spaces. State-of-the-art methods, such as TransE, TransH, and TransR build embeddings by treating relation as translation from head entity to tail entity. However, previous models can not deal with reflexive/one-to-many/many-to-one/many-to-many relations properly, or lack of scalability and efficiency. Thus, we propose a novel method, flexible translation, named TransF, to address the above issues. TransF regards relation as translation between head entity vector and tail entity vector with flexible magnitude. To evaluate the proposed model, we conduct link prediction and triple classification on benchmark datasets. Experimental results show that our method remarkably improve the performance compared with several state-of-the-art baselines.

Memory-based neural networks model temporal data by leveraging an ability to remember information for long periods. It is unclear, however, whether they also have an ability to perform complex relational reasoning with the information they remember. Here, we first confirm our intuitions that standard memory architectures may struggle at tasks that heavily involve an understanding of the ways in which entities are connected -- i.e., tasks involving relational reasoning. We then improve upon these deficits by using a new memory module -- a Relational Memory Core (RMC) -- which employs multi-head dot product attention to allow memories to interact. Finally, we test the RMC on a suite of tasks that may profit from more capable relational reasoning across sequential information, and show large gains in RL domains (e.g. Mini PacMan), program evaluation, and language modeling, achieving state-of-the-art results on the WikiText-103, Project Gutenberg, and GigaWord datasets.

Table understanding requires structured, multi-step reasoning. Large Language Models (LLMs) struggle with it due to the structural complexity of tabular data. Recently, multi-agent frameworks for SQL generation have shown promise in tackling the challenges of understanding tabular data, but existing approaches often suffer from limitations such as the inability to comprehend table structure for reliable SQL generation, error propagation that results in invalid queries, and over-reliance on execution correctness. To address these issues, we propose Chain-of-Query (CoQ), a novel multi-agent framework for SQL-aided table understanding. CoQ adopts natural-language-style representations of table schemas to abstract away structural noise and enhance understanding. It employs a clause-by-clause SQL generation strategy to improve query quality and introduces a hybrid reasoning division that separates SQL-based mechanical reasoning from LLM-based logical inference, thereby reducing reliance on execution outcomes. Extensive experiments across four models and five widely used benchmarks demonstrate that CoQ achieves substantial accuracy improvements and significantly lowers invalid SQL rates compared to prior generic LLM-based, SQL-aided, and hybrid baselines, confirming its superior effectiveness in table understanding. The code is available at https://github.com/SongyuanSui/ChainofQuery.

A backbone of knowledge graphs are their class membership relations, which assign entities to a given class. As part of the knowledge engineering process, we propose a new method for evaluating the quality of these relations by processing descriptions of a given entity and class using a zero-shot chain-of-thought classifier that uses a natural language intensional definition of a class. We evaluate the method using two publicly available knowledge graphs, Wikidata and CaLiGraph, and 7 large language models. Using the gpt-4-0125-preview large language model, the method's classification performance achieves a macro-averaged F1-score of 0.830 on data from Wikidata and 0.893 on data from CaLiGraph. Moreover, a manual analysis of the classification errors shows that 40.9% of errors were due to the knowledge graphs, with 16.0% due to missing relations and 24.9% due to incorrectly asserted relations. These results show how large language models can assist knowledge engineers in the process of knowledge graph refinement. The code and data are available on Github.

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

We propose STRuCT-LLM, a unified framework for training large language models (LLMs) to perform structured reasoning over both relational and graph-structured data. Our approach jointly optimizes Text-to-SQL and Text-to-Cypher tasks using reinforcement learning (RL) combined with Chain-of-Thought (CoT) supervision. To support fine-grained optimization in graph-based parsing, we introduce a topology-aware reward function based on graph edit distance. Unlike prior work that treats relational and graph formalisms in isolation, STRuCT-LLM leverages shared abstractions between SQL and Cypher to induce cross-formalism transfer, enabling SQL training to improve Cypher performance and vice versa - even without shared schemas. Our largest model (QwQ-32B) achieves substantial relative improvements across tasks: on semantic parsing, Spider improves by 13.5\% and Text2Cypher by 73.1\%. The model also demonstrates strong zero-shot generalization, improving performance on downstream tabular QA (TableBench: 8.5\%) and knowledge graph QA (CR-LT-KGQA: 1.7\%) without any QA-specific supervision. These results demonstrate both the effectiveness of executable queries as scaffolds for structured reasoning and the synergistic benefits of jointly training on SQL and Cypher (code available at https://github.com/bouv/STRuCT-LLM).

Large language models encapsulate knowledge and have demonstrated superior performance on various natural language processing tasks. Recent studies have localized this knowledge to specific model parameters, such as the MLP weights in intermediate layers. This study investigates the differences between entity and relational knowledge through knowledge editing. Our findings reveal that entity and relational knowledge cannot be directly transferred or mapped to each other. This result is unexpected, as logically, modifying the entity or the relation within the same knowledge triplet should yield equivalent outcomes. To further elucidate the differences between entity and relational knowledge, we employ causal analysis to investigate how relational knowledge is stored in pre-trained models. Contrary to prior research suggesting that knowledge is stored in MLP weights, our experiments demonstrate that relational knowledge is also significantly encoded in attention modules. This insight highlights the multifaceted nature of knowledge storage in language models, underscoring the complexity of manipulating specific types of knowledge within these models.

Graph neural networks (GNNs) have shown promising performance for knowledge graph reasoning. A recent variant of GNN called progressive relational graph neural network (PRGNN), utilizes relational rules to infer missing knowledge in relational digraphs and achieves notable results. However, during reasoning with PRGNN, two important properties are often overlooked: (1) the sequentiality of relation composition, where the order of combining different relations affects the semantics of the relational rules, and (2) the lagged entity information propagation, where the transmission speed of required information lags behind the appearance speed of new entities. Ignoring these properties leads to incorrect relational rule learning and decreased reasoning accuracy. To address these issues, we propose a novel knowledge graph reasoning approach, the Relational rUle eNhanced Graph Neural Network (RUN-GNN). Specifically, RUN-GNN employs a query related fusion gate unit to model the sequentiality of relation composition and utilizes a buffering update mechanism to alleviate the negative effect of lagged entity information propagation, resulting in higher-quality relational rule learning. Experimental results on multiple datasets demonstrate the superiority of RUN-GNN is superior on both transductive and inductive link prediction tasks.

Relational databases are the de facto standard for storing and querying structured data, and extracting insights from structured data requires advanced analytics. Deep neural networks (DNNs) have achieved super-human prediction performance in particular data types, e.g., images. However, existing DNNs may not produce meaningful results when applied to structured data. The reason is that there are correlations and dependencies across combinations of attribute values in a table, and these do not follow simple additive patterns that can be easily mimicked by a DNN. The number of possible such cross features is combinatorial, making them computationally prohibitive to model. Furthermore, the deployment of learning models in real-world applications has also highlighted the need for interpretability, especially for high-stakes applications, which remains another issue of concern to DNNs. In this paper, we present ARM-Net, an adaptive relation modeling network tailored for structured data, and a lightweight framework ARMOR based on ARM-Net for relational data analytics. The key idea is to model feature interactions with cross features selectively and dynamically, by first transforming the input features into exponential space, and then determining the interaction order and interaction weights adaptively for each cross feature. We propose a novel sparse attention mechanism to dynamically generate the interaction weights given the input tuple, so that we can explicitly model cross features of arbitrary orders with noisy features filtered selectively. Then during model inference, ARM-Net can specify the cross features being used for each prediction for higher accuracy and better interpretability. Our extensive experiments on real-world datasets demonstrate that ARM-Net consistently outperforms existing models and provides more interpretable predictions for data-driven decision making.

Relational structures such as schema linking and schema encoding have been validated as a key component to qualitatively translating natural language into SQL queries. However, introducing these structural relations comes with prices: they often result in a specialized model structure, which largely prohibits using large pretrained models in text-to-SQL. To address this problem, we propose RASAT: a Transformer seq2seq architecture augmented with relation-aware self-attention that could leverage a variety of relational structures while inheriting the pretrained parameters from the T5 model effectively. Our model can incorporate almost all types of existing relations in the literature, and in addition, we propose introducing co-reference relations for the multi-turn scenario. Experimental results on three widely used text-to-SQL datasets, covering both single-turn and multi-turn scenarios, have shown that RASAT could achieve state-of-the-art results across all three benchmarks (75.5% EX on Spider, 52.6% IEX on SParC, and 37.4% IEX on CoSQL).

We present RelBench, a public benchmark for solving predictive tasks over relational databases with graph neural networks. RelBench provides databases and tasks spanning diverse domains and scales, and is intended to be a foundational infrastructure for future research. We use RelBench to conduct the first comprehensive study of Relational Deep Learning (RDL) (Fey et al., 2024), which combines graph neural network predictive models with (deep) tabular models that extract initial entity-level representations from raw tables. End-to-end learned RDL models fully exploit the predictive signal encoded in primary-foreign key links, marking a significant shift away from the dominant paradigm of manual feature engineering combined with tabular models. To thoroughly evaluate RDL against this prior gold-standard, we conduct an in-depth user study where an experienced data scientist manually engineers features for each task. In this study, RDL learns better models whilst reducing human work needed by more than an order of magnitude. This demonstrates the power of deep learning for solving predictive tasks over relational databases, opening up many new research opportunities enabled by RelBench.

Pretrained transformers readily adapt to new sequence modeling tasks via zero-shot prompting, but relational domains still lack architectures that transfer across datasets and tasks. The core challenge is the diversity of relational data, with varying heterogeneous schemas, graph structures and functional dependencies. In this paper, we present the Relational Transformer (RT) architecture, which can be pretrained on diverse relational databases and directly applied to unseen datasets and tasks without task- or dataset-specific fine-tuning, or retrieval of in-context examples. RT (i) tokenizes cells with table/column metadata, (ii) is pretrained via masked token prediction, and (iii) utilizes a novel Relational Attention mechanism over columns, rows, and primary-foreign key links. Pretrained on RelBench datasets spanning tasks such as churn and sales forecasting, RT attains strong zero-shot performance, averaging 94% of fully supervised AUROC on binary classification tasks with a single forward pass of a 22M parameter model, as opposed to 84% for a 27B LLM. Fine-tuning yields state-of-the-art results with high sample efficiency. Our experiments show that RT's zero-shot transfer harnesses task-table context, relational attention patterns and schema semantics. Overall, RT provides a practical path toward foundation models for relational data.

Relational pooling is a framework for building more expressive and permutation-invariant graph neural networks. However, there is limited understanding of the exact enhancement in the expressivity of RP and its connection with the Weisfeiler Lehman hierarchy. Starting from RP, we propose to explicitly assign labels to nodes as additional features to improve expressive power of message passing neural networks. The method is then extended to higher dimensional WL, leading to a novel k,l-WL algorithm, a more general framework than k-WL. Theoretically, we analyze the expressivity of k,l-WL with respect to k and l and unifies it with a great number of subgraph GNNs. Complexity reduction methods are also systematically discussed to build powerful and practical k,l-GNN instances. We theoretically and experimentally prove that our method is universally compatible and capable of improving the expressivity of any base GNN model. Our k,l-GNNs achieve superior performance on many synthetic and real-world datasets, which verifies the effectiveness of our framework.

We present an approach to modifying Transformer architectures by integrating graph-aware relational reasoning into the attention mechanism, merging concepts from graph neural networks and language modeling. Building on the inherent connection between attention and graph theory, we reformulate the Transformer's attention mechanism as a graph operation and propose Graph-Aware Isomorphic Attention. This method leverages advanced graph modeling strategies, including Graph Isomorphism Networks (GIN) and Principal Neighborhood Aggregation (PNA), to enrich the representation of relational structures. Our approach captures complex dependencies and generalizes across tasks, as evidenced by a reduced generalization gap and improved learning performance. Additionally, we expand the concept of graph-aware attention to introduce Sparse GIN-Attention, a fine-tuning approach that employs sparse GINs. By interpreting attention matrices as sparse adjacency graphs, this technique enhances the adaptability of pre-trained foundational models with minimal computational overhead, endowing them with graph-aware capabilities. Sparse GIN-Attention fine-tuning achieves improved training dynamics and better generalization compared to alternative methods like low-rank adaption (LoRA). We discuss latent graph-like structures within traditional attention mechanisms, offering a new lens through which Transformers can be understood. By evolving Transformers as hierarchical GIN models for relational reasoning. This perspective suggests profound implications for foundational model development, enabling the design of architectures that dynamically adapt to both local and global dependencies. Applications in bioinformatics, materials science, language modeling, and beyond could benefit from this synthesis of relational and sequential data modeling, setting the stage for interpretable and generalizable modeling strategies.

Relational graph neural networks (RGNNs) are graph neural networks (GNNs) with dedicated structures for modeling the different types of nodes and/or edges in heterogeneous graphs. While RGNNs have been increasingly adopted in many real-world applications due to their versatility and accuracy, they pose performance and system design challenges due to their inherent computation patterns, gap between the programming interface and kernel APIs, and heavy programming efforts in optimizing kernels caused by their coupling with data layout and heterogeneity. To systematically address these challenges, we propose Pigeon, a novel two-level intermediate representation (IR) and its code generator framework, that (a) represents the key properties of the RGNN models to bridge the gap between the programming interface and kernel APIs, (b) decouples model semantics, data layout, and operators-specific optimization from each other to reduce programming efforts, (c) expresses and leverages optimization opportunities in inter-operator transforms, data layout, and operator-specific schedules. By building on one general matrix multiply (GEMM) template and a node/edge traversal template, Pigeon achieves up to 7.8x speed-up in inference and 5.6x speed-up in training compared with the state-of-the-art public systems in select models, i.e., RGCN, RGAT, HGT, when running heterogeneous graphs provided by Deep Graph Library (DGL) and Open Graph Benchmark (OGB). Pigeon also triggers fewer out-of-memory (OOM) errors. In addition, we propose linear operator fusion and compact materialization to further accelerate the system by up to 2.2x.

Table-based reasoning with large language models (LLMs) is a promising direction to tackle many table understanding tasks, such as table-based question answering and fact verification. Compared with generic reasoning, table-based reasoning requires the extraction of underlying semantics from both free-form questions and semi-structured tabular data. Chain-of-Thought and its similar approaches incorporate the reasoning chain in the form of textual context, but it is still an open question how to effectively leverage tabular data in the reasoning chain. We propose the Chain-of-Table framework, where tabular data is explicitly used in the reasoning chain as a proxy for intermediate thoughts. Specifically, we guide LLMs using in-context learning to iteratively generate operations and update the table to represent a tabular reasoning chain. LLMs can therefore dynamically plan the next operation based on the results of the previous ones. This continuous evolution of the table forms a chain, showing the reasoning process for a given tabular problem. The chain carries structured information of the intermediate results, enabling more accurate and reliable predictions. Chain-of-Table achieves new state-of-the-art performance on WikiTQ, FeTaQA, and TabFact benchmarks across multiple LLM choices.

Graph neural architecture search has sparked much attention as Graph Neural Networks (GNNs) have shown powerful reasoning capability in many relational tasks. However, the currently used graph search space overemphasizes learning node features and neglects mining hierarchical relational information. Moreover, due to diverse mechanisms in the message passing, the graph search space is much larger than that of CNNs. This hinders the straightforward application of classical search strategies for exploring complicated graph search space. We propose Automatic Relation-aware Graph Network Proliferation (ARGNP) for efficiently searching GNNs with a relation-guided message passing mechanism. Specifically, we first devise a novel dual relation-aware graph search space that comprises both node and relation learning operations. These operations can extract hierarchical node/relational information and provide anisotropic guidance for message passing on a graph. Second, analogous to cell proliferation, we design a network proliferation search paradigm to progressively determine the GNN architectures by iteratively performing network division and differentiation. The experiments on six datasets for four graph learning tasks demonstrate that GNNs produced by our method are superior to the current state-of-the-art hand-crafted and search-based GNNs. Codes are available at https://github.com/phython96/ARGNP.

Relational reasoning lies at the core of many NLP tasks, drawing on complementary signals from text and graphs. While prior research has investigated how to leverage this dual complementarity, a detailed and systematic understanding of text-graph interplay and its effect on hybrid models remains underexplored. We take an analysis-driven approach to investigate text-graph representation complementarity via a unified architecture that supports knowledge co-distillation (CoD). We explore five tasks involving relational reasoning that differ in how text and graph structures encode the information needed to solve that task. By tracking how these dual representations evolve during training, we uncover interpretable patterns of alignment and divergence, and provide insights into when and why their integration is beneficial.

Humans do not just see attribute similarity -- we also see relational similarity. An apple is like a peach because both are reddish fruit, but the Earth is also like a peach: its crust, mantle, and core correspond to the peach's skin, flesh, and pit. This ability to perceive and recognize relational similarity, is arguable by cognitive scientist to be what distinguishes humans from other species. Yet, all widely used visual similarity metrics today (e.g., LPIPS, CLIP, DINO) focus solely on perceptual attribute similarity and fail to capture the rich, often surprising relational similarities that humans perceive. How can we go beyond the visible content of an image to capture its relational properties? How can we bring images with the same relational logic closer together in representation space? To answer these questions, we first formulate relational image similarity as a measurable problem: two images are relationally similar when their internal relations or functions among visual elements correspond, even if their visual attributes differ. We then curate 114k image-caption dataset in which the captions are anonymized -- describing the underlying relational logic of the scene rather than its surface content. Using this dataset, we finetune a Vision-Language model to measure the relational similarity between images. This model serves as the first step toward connecting images by their underlying relational structure rather than their visible appearance. Our study shows that while relational similarity has a lot of real-world applications, existing image similarity models fail to capture it -- revealing a critical gap in visual computing.

Artificial intelligence (AI) has undergone a renaissance recently, making major progress in key domains such as vision, language, control, and decision-making. This has been due, in part, to cheap data and cheap compute resources, which have fit the natural strengths of deep learning. However, many defining characteristics of human intelligence, which developed under much different pressures, remain out of reach for current approaches. In particular, generalizing beyond one's experiences--a hallmark of human intelligence from infancy--remains a formidable challenge for modern AI. The following is part position paper, part review, and part unification. We argue that combinatorial generalization must be a top priority for AI to achieve human-like abilities, and that structured representations and computations are key to realizing this objective. Just as biology uses nature and nurture cooperatively, we reject the false choice between "hand-engineering" and "end-to-end" learning, and instead advocate for an approach which benefits from their complementary strengths. We explore how using relational inductive biases within deep learning architectures can facilitate learning about entities, relations, and rules for composing them. We present a new building block for the AI toolkit with a strong relational inductive bias--the graph network--which generalizes and extends various approaches for neural networks that operate on graphs, and provides a straightforward interface for manipulating structured knowledge and producing structured behaviors. We discuss how graph networks can support relational reasoning and combinatorial generalization, laying the foundation for more sophisticated, interpretable, and flexible patterns of reasoning. As a companion to this paper, we have released an open-source software library for building graph networks, with demonstrations of how to use them in practice.

Making the contents generated by Large Language Model (LLM) such as ChatGPT, accurate, credible and traceable is crucial, especially in complex knowledge-intensive tasks that require multi-step reasoning and each of which needs knowledge to solve. Introducing Information Retrieval (IR) to provide LLM with external knowledge is good potential to solve this problem. However, where and how to introduce IR into LLM is a big challenge. Previous work has the disadvantage that the wrong knowledge retrieved by IR misleads the LLM or breaks the reasoning chain of LLM. In this paper, we propose a novel framework called Search-in-the-Chain (SearChain) for the interaction between LLM and IR to solve the challenges. First, LLM generates the global reasoning chain called Chain-of-Query (CoQ) where each node consists of an IR-oriented query and the answer to the query. Second, IR verifies the answer of each node of CoQ, it corrects the answer that is not consistent with the retrieved information when IR gives high confidence, which improves the credibility. Third, LLM can mark its missing knowledge in CoQ and IR can provide this knowledge to LLM. These three operations improve the accuracy of LLM for complex knowledge-intensive tasks in terms of reasoning ability and knowledge. Finally, SearChain generates the reasoning process and marks references to supporting documents for each reasoning step, which improves traceability. SearChain transforms the topology of reasoning from chain to tree, which can modify the reasoning direction. Experiment shows that SearChain outperforms baselines on complex knowledge-intensive tasks including multi-hop question-answering, slot filling, fact checking, and long-form question-answering.

Customized image generation is crucial for delivering personalized content based on user-provided image prompts, aligning large-scale text-to-image diffusion models with individual needs. However, existing models often overlook the relationships between customized objects in generated images. Instead, this work addresses that gap by focusing on relation-aware customized image generation, which aims to preserve the identities from image prompts while maintaining the predicate relations described in text prompts. Specifically, we introduce RelationBooth, a framework that disentangles identity and relation learning through a well-curated dataset. Our training data consists of relation-specific images, independent object images containing identity information, and text prompts to guide relation generation. Then, we propose two key modules to tackle the two main challenges: generating accurate and natural relations, especially when significant pose adjustments are required, and avoiding object confusion in cases of overlap. First, we introduce a keypoint matching loss that effectively guides the model in adjusting object poses closely tied to their relationships. Second, we incorporate local features from the image prompts to better distinguish between objects, preventing confusion in overlapping cases. Extensive results on three benchmarks demonstrate the superiority of RelationBooth in generating precise relations while preserving object identities across a diverse set of objects and relations. The source code and trained models will be made available to the public.

Relational reasoning is a central component of generally intelligent behavior, but has proven difficult for neural networks to learn. In this paper we describe how to use Relation Networks (RNs) as a simple plug-and-play module to solve problems that fundamentally hinge on relational reasoning. We tested RN-augmented networks on three tasks: visual question answering using a challenging dataset called CLEVR, on which we achieve state-of-the-art, super-human performance; text-based question answering using the bAbI suite of tasks; and complex reasoning about dynamic physical systems. Then, using a curated dataset called Sort-of-CLEVR we show that powerful convolutional networks do not have a general capacity to solve relational questions, but can gain this capacity when augmented with RNs. Our work shows how a deep learning architecture equipped with an RN module can implicitly discover and learn to reason about entities and their relations.

Although large language models (LLMs) have demonstrated impressive potential on simple tasks, their breadth of scope, lack of transparency, and insufficient controllability can make them less effective when assisting humans on more complex tasks. In response, we introduce the concept of Chaining LLM steps together, where the output of one step becomes the input for the next, thus aggregating the gains per step. We first define a set of LLM primitive operations useful for Chain construction, then present an interactive system where users can modify these Chains, along with their intermediate results, in a modular way. In a 20-person user study, we found that Chaining not only improved the quality of task outcomes, but also significantly enhanced system transparency, controllability, and sense of collaboration. Additionally, we saw that users developed new ways of interacting with LLMs through Chains: they leveraged sub-tasks to calibrate model expectations, compared and contrasted alternative strategies by observing parallel downstream effects, and debugged unexpected model outputs by "unit-testing" sub-components of a Chain. In two case studies, we further explore how LLM Chains may be used in future applications

Relational video customization refers to the creation of personalized videos that depict user-specified relations between two subjects, a crucial task for comprehending real-world visual content. While existing methods can personalize subject appearances and motions, they still struggle with complex relational video customization, where precise relational modeling and high generalization across subject categories are essential. The primary challenge arises from the intricate spatial arrangements, layout variations, and nuanced temporal dynamics inherent in relations; consequently, current models tend to overemphasize irrelevant visual details rather than capturing meaningful interactions. To address these challenges, we propose DreamRelation, a novel approach that personalizes relations through a small set of exemplar videos, leveraging two key components: Relational Decoupling Learning and Relational Dynamics Enhancement. First, in Relational Decoupling Learning, we disentangle relations from subject appearances using relation LoRA triplet and hybrid mask training strategy, ensuring better generalization across diverse relationships. Furthermore, we determine the optimal design of relation LoRA triplet by analyzing the distinct roles of the query, key, and value features within MM-DiT's attention mechanism, making DreamRelation the first relational video generation framework with explainable components. Second, in Relational Dynamics Enhancement, we introduce space-time relational contrastive loss, which prioritizes relational dynamics while minimizing the reliance on detailed subject appearances. Extensive experiments demonstrate that DreamRelation outperforms state-of-the-art methods in relational video customization. Code and models will be made publicly available.

Relational data augmentation is a powerful technique for enhancing data analytics and improving machine learning models by incorporating columns from external datasets. However, it is challenging to efficiently discover relevant external tables to join with a given input table. Existing approaches rely on data discovery systems to identify joinable tables from external sources, typically based on overlap or containment. However, the sheer number of tables obtained from these systems results in irrelevant joins that need to be performed; this can be computationally expensive or even infeasible in practice. We address this limitation by proposing the use of efficient mutual information (MI) estimation for finding relevant joinable tables. We introduce a new sketching method that enables efficient evaluation of relationship discovery queries by estimating MI without materializing the joins and returning a smaller set of tables that are more likely to be relevant. We also demonstrate the effectiveness of our approach at approximating MI in extensive experiments using synthetic and real-world datasets.

Large language models (LLMs), while exhibiting exceptional performance, suffer from hallucinations, especially on knowledge-intensive tasks. Existing works propose to augment LLMs with individual text units retrieved from external knowledge corpora to alleviate the issue. However, in many domains, texts are interconnected (e.g., academic papers in a bibliographic graph are linked by citations and co-authorships) which form a (text-attributed) graph. The knowledge in such graphs is encoded not only in single texts/nodes but also in their associated connections. To facilitate the research of augmenting LLMs with graphs, we manually construct a Graph Reasoning Benchmark dataset called GRBench, containing 1,740 questions that can be answered with the knowledge from 10 domain graphs. Then, we propose a simple and effective framework called Graph Chain-of-thought (Graph-CoT) to augment LLMs with graphs by encouraging LLMs to reason on the graph iteratively. Each Graph-CoT iteration consists of three sub-steps: LLM reasoning, LLM-graph interaction, and graph execution. We conduct systematic experiments with three LLM backbones on GRBench, where Graph-CoT outperforms the baselines consistently. The code is available at https://github.com/PeterGriffinJin/Graph-CoT.

Molecular relational learning, whose goal is to learn the interaction behavior between molecular pairs, got a surge of interest in molecular sciences due to its wide range of applications. Recently, graph neural networks have recently shown great success in molecular relational learning by modeling a molecule as a graph structure, and considering atom-level interactions between two molecules. Despite their success, existing molecular relational learning methods tend to overlook the nature of chemistry, i.e., a chemical compound is composed of multiple substructures such as functional groups that cause distinctive chemical reactions. In this work, we propose a novel relational learning framework, called CGIB, that predicts the interaction behavior between a pair of graphs by detecting core subgraphs therein. The main idea is, given a pair of graphs, to find a subgraph from a graph that contains the minimal sufficient information regarding the task at hand conditioned on the paired graph based on the principle of conditional graph information bottleneck. We argue that our proposed method mimics the nature of chemical reactions, i.e., the core substructure of a molecule varies depending on which other molecule it interacts with. Extensive experiments on various tasks with real-world datasets demonstrate the superiority of CGIB over state-of-the-art baselines. Our code is available at https://github.com/Namkyeong/CGIB.

Inductive knowledge graph completion has been considered as the task of predicting missing triplets between new entities that are not observed during training. While most inductive knowledge graph completion methods assume that all entities can be new, they do not allow new relations to appear at inference time. This restriction prohibits the existing methods from appropriately handling real-world knowledge graphs where new entities accompany new relations. In this paper, we propose an INductive knowledge GRAph eMbedding method, InGram, that can generate embeddings of new relations as well as new entities at inference time. Given a knowledge graph, we define a relation graph as a weighted graph consisting of relations and the affinity weights between them. Based on the relation graph and the original knowledge graph, InGram learns how to aggregate neighboring embeddings to generate relation and entity embeddings using an attention mechanism. Experimental results show that InGram outperforms 14 different state-of-the-art methods on varied inductive learning scenarios.

To achieve faithful reasoning that aligns with human expectations, large language models (LLMs) need to ground their reasoning to real-world knowledge (e.g., web facts, math and physical rules). Tools help LLMs access this external knowledge, but there remains challenges for fine-tuning LLM agents (e.g., Toolformer) to invoke tools in multi-step reasoning problems, where inter-connected tool calls require holistic and efficient tool usage planning. In this work, we propose a new method for LLMs to better leverage tools in multi-step reasoning. Our method, Chain-of-Abstraction (CoA), trains LLMs to first decode reasoning chains with abstract placeholders, and then call domain tools to reify each reasoning chain by filling in specific knowledge. This planning with abstract chains enables LLMs to learn more general reasoning strategies, which are robust to shifts of domain knowledge (e.g., math results) relevant to different reasoning questions. It also allows LLMs to perform decoding and calling of external tools in parallel, which avoids the inference delay caused by waiting for tool responses. In mathematical reasoning and Wiki QA domains, we show that our method consistently outperforms previous chain-of-thought and tool-augmented baselines on both in-distribution and out-of-distribution test sets, with an average ~6% absolute QA accuracy improvement. LLM agents trained with our method also show more efficient tool use, with inference speed being on average ~1.4x faster than baseline tool-augmented LLMs.

Modern systems for multi-hop question answering (QA) typically break questions into a sequence of reasoning steps, termed chain-of-thought (CoT), before arriving at a final answer. Often, multiple chains are sampled and aggregated through a voting mechanism over the final answers, but the intermediate steps themselves are discarded. While such approaches improve performance, they do not consider the relations between intermediate steps across chains and do not provide a unified explanation for the predicted answer. We introduce Multi-Chain Reasoning (MCR), an approach which prompts large language models to meta-reason over multiple chains of thought, rather than aggregating their answers. MCR examines different reasoning chains, mixes information between them and selects the most relevant facts in generating an explanation and predicting the answer. MCR outperforms strong baselines on 7 multi-hop QA datasets. Moreover, our analysis reveals that MCR explanations exhibit high quality, enabling humans to verify its answers.

Knowledge Graphs (KGs) are valuable tools for representing relationships between entities in a structured format. Traditionally, these knowledge bases are queried to extract specific information. However, question-answering (QA) over such KGs poses a challenge due to the intrinsic complexity of natural language compared to the structured format and the size of these graphs. Despite these challenges, the structured nature of KGs can provide a solid foundation for grounding the outputs of Large Language Models (LLMs), offering organizations increased reliability and control. Recent advancements in LLMs have introduced reasoning methods at inference time to improve their performance and maximize their capabilities. In this work, we propose integrating these reasoning strategies with KGs to anchor every step or "thought" of the reasoning chains in KG data. Specifically, we evaluate both agentic and automated search methods across several reasoning strategies, including Chain-of-Thought (CoT), Tree-of-Thought (ToT), and Graph-of-Thought (GoT), using GRBench, a benchmark dataset for graph reasoning with domain-specific graphs. Our experiments demonstrate that this approach consistently outperforms baseline models, highlighting the benefits of grounding LLM reasoning processes in structured KG data.

Mental health is a critical issue in modern society, and mental disorders could sometimes turn to suicidal ideation without effective treatment. Early detection of mental disorders and suicidal ideation from social content provides a potential way for effective social intervention. However, classifying suicidal ideation and other mental disorders is challenging as they share similar patterns in language usage and sentimental polarity. This paper enhances text representation with lexicon-based sentiment scores and latent topics and proposes using relation networks to detect suicidal ideation and mental disorders with related risk indicators. The relation module is further equipped with the attention mechanism to prioritize more critical relational features. Through experiments on three real-world datasets, our model outperforms most of its counterparts.

Retrieving external knowledge and prompting large language models with relevant information is an effective paradigm to enhance the performance of question-answering tasks. Previous research typically handles paragraphs from external documents in isolation, resulting in a lack of context and ambiguous references, particularly in multi-document and complex tasks. To overcome these challenges, we propose a new retrieval framework IIER, that leverages Inter-chunk Interactions to Enhance Retrieval. This framework captures the internal connections between document chunks by considering three types of interactions: structural, keyword, and semantic. We then construct a unified Chunk-Interaction Graph to represent all external documents comprehensively. Additionally, we design a graph-based evidence chain retriever that utilizes previous paths and chunk interactions to guide the retrieval process. It identifies multiple seed nodes based on the target question and iteratively searches for relevant chunks to gather supporting evidence. This retrieval process refines the context and reasoning chain, aiding the large language model in reasoning and answer generation. Extensive experiments demonstrate that IIER outperforms strong baselines across four datasets, highlighting its effectiveness in improving retrieval and reasoning capabilities.

Biomedical Knowledge Graphs (BKGs) integrate diverse datasets to elucidate complex relationships within the biomedical field. Effective link prediction on these graphs can uncover valuable connections, such as potential novel drug-disease relations. We introduce a novel multimodal approach that unifies embeddings from specialized Language Models (LMs) with Graph Contrastive Learning (GCL) to enhance intra-entity relationships while employing a Knowledge Graph Embedding (KGE) model to capture inter-entity relationships for effective link prediction. To address limitations in existing BKGs, we present PrimeKG++, an enriched knowledge graph incorporating multimodal data, including biological sequences and textual descriptions for each entity type. By combining semantic and relational information in a unified representation, our approach demonstrates strong generalizability, enabling accurate link predictions even for unseen nodes. Experimental results on PrimeKG++ and the DrugBank drug-target interaction dataset demonstrate the effectiveness and robustness of our method across diverse biomedical datasets. Our source code, pre-trained models, and data are publicly available at https://github.com/HySonLab/BioMedKG

Formulating and answering logical queries is a standard communication interface for knowledge graphs (KGs). Alleviating the notorious incompleteness of real-world KGs, neural methods achieved impressive results in link prediction and complex query answering tasks by learning representations of entities, relations, and queries. Still, most existing query answering methods rely on transductive entity embeddings and cannot generalize to KGs containing new entities without retraining the entity embeddings. In this work, we study the inductive query answering task where inference is performed on a graph containing new entities with queries over both seen and unseen entities. To this end, we devise two mechanisms leveraging inductive node and relational structure representations powered by graph neural networks (GNNs). Experimentally, we show that inductive models are able to perform logical reasoning at inference time over unseen nodes generalizing to graphs up to 500% larger than training ones. Exploring the efficiency--effectiveness trade-off, we find the inductive relational structure representation method generally achieves higher performance, while the inductive node representation method is able to answer complex queries in the inference-only regime without any training on queries and scales to graphs of millions of nodes. Code is available at https://github.com/DeepGraphLearning/InductiveQE.

While LLMs can effectively help prototype single ML functionalities, many real-world applications involve complex tasks that cannot be easily handled via a single run of an LLM. Recent work has found that chaining multiple LLM runs together (with the output of one step being the input to the next) can help users accomplish these more complex tasks, and in a way that is perceived to be more transparent and controllable. However, it remains unknown what users need when authoring their own LLM chains -- a key step for lowering the barriers for non-AI-experts to prototype AI-infused applications. In this work, we explore the LLM chain authoring process. We conclude from pilot studies find that chaining requires careful scaffolding for transforming intermediate node outputs, as well as debugging the chain at multiple granularities; to help with these needs, we designed PromptChainer, an interactive interface for visually programming chains. Through case studies with four people, we show that PromptChainer supports building prototypes for a range of applications, and conclude with open questions on scaling chains to complex tasks, and supporting low-fi chain prototyping.

Multi-hop logical reasoning is an established problem in the field of representation learning on knowledge graphs (KGs). It subsumes both one-hop link prediction as well as other more complex types of logical queries. Existing algorithms operate only on classical, triple-based graphs, whereas modern KGs often employ a hyper-relational modeling paradigm. In this paradigm, typed edges may have several key-value pairs known as qualifiers that provide fine-grained context for facts. In queries, this context modifies the meaning of relations, and usually reduces the answer set. Hyper-relational queries are often observed in real-world KG applications, and existing approaches for approximate query answering cannot make use of qualifier pairs. In this work, we bridge this gap and extend the multi-hop reasoning problem to hyper-relational KGs allowing to tackle this new type of complex queries. Building upon recent advancements in Graph Neural Networks and query embedding techniques, we study how to embed and answer hyper-relational conjunctive queries. Besides that, we propose a method to answer such queries and demonstrate in our experiments that qualifiers improve query answering on a diverse set of query patterns.

Relation extraction has the potential for large-scale knowledge graph construction, but current methods do not consider the qualifier attributes for each relation triplet, such as time, quantity or location. The qualifiers form hyper-relational facts which better capture the rich and complex knowledge graph structure. For example, the relation triplet (Leonard Parker, Educated At, Harvard University) can be factually enriched by including the qualifier (End Time, 1967). Hence, we propose the task of hyper-relational extraction to extract more specific and complete facts from text. To support the task, we construct HyperRED, a large-scale and general-purpose dataset. Existing models cannot perform hyper-relational extraction as it requires a model to consider the interaction between three entities. Hence, we propose CubeRE, a cube-filling model inspired by table-filling approaches and explicitly considers the interaction between relation triplets and qualifiers. To improve model scalability and reduce negative class imbalance, we further propose a cube-pruning method. Our experiments show that CubeRE outperforms strong baselines and reveal possible directions for future research. Our code and data are available at github.com/declare-lab/HyperRED.

Quantifying the similarity between a group of companies has proven to be useful for several purposes, including company benchmarking, fraud detection, and searching for investment opportunities. This exercise can be done using a variety of data sources, such as company activity data and financial data. However, ledger account data is widely available and is standardized to a large extent. Such ledger accounts within a financial statement can be represented by means of a tree, i.e. a special type of graph, representing both the values of the ledger accounts and the relationships between them. Given their broad availability and rich information content, financial statements form a prime data source based on which company similarities or distances could be computed. In this paper, we present a graph distance metric that enables one to compute the similarity between the financial statements of two companies. We conduct a comprehensive experimental study using real-world financial data to demonstrate the usefulness of our proposed distance metric. The experimental results show promising results on a number of use cases. This method may be useful for investors looking for investment opportunities, government officials attempting to identify fraudulent companies, and accountants looking to benchmark a group of companies based on their financial statements.

Language models and specialized table embedding models have recently demonstrated strong performance on many tasks over tabular data. Researchers and practitioners are keen to leverage these models in many new application contexts; but limited understanding of the strengths and weaknesses of these models, and the table representations they generate, makes the process of finding a suitable model for a given task reliant on trial and error. There is an urgent need to gain a comprehensive understanding of these models to minimize inefficiency and failures in downstream usage. To address this need, we propose Observatory, a formal framework to systematically analyze embedding representations of relational tables. Motivated both by invariants of the relational data model and by statistical considerations regarding data distributions, we define eight primitive properties, and corresponding measures to quantitatively characterize table embeddings for these properties. Based on these properties, we define an extensible framework to evaluate language and table embedding models. We collect and synthesize a suite of datasets and use Observatory to analyze nine such models. Our analysis provides insights into the strengths and weaknesses of learned representations over tables. We find, for example, that some models are sensitive to table structure such as column order, that functional dependencies are rarely reflected in embeddings, and that specialized table embedding models have relatively lower sample fidelity. Such insights help researchers and practitioners better anticipate model behaviors and select appropriate models for their downstream tasks, while guiding researchers in the development of new models.

Artefact descriptions are the primary carriers of engineering design knowledge that is both an outcome and a driver of the design process. While an artefact could be described in different connotations, the design process requires a description to embody engineering design knowledge, which is expressed in the text through intricate placement of entities and relationships. As large-language models learn from all kinds of text merely as a sequence of characters/tokens, these are yet to generate text that embodies explicit engineering design facts. Existing ontological design theories are less likely to guide the large-language models whose applications are currently limited to ideation and learning purposes. In this article, we explicate engineering design knowledge as knowledge graphs from a large sample of 33,881 patent documents. We examine the constituents of these knowledge graphs to understand the linguistic and structural basis of engineering design knowledge. In terms of linguistic basis, we observe that entities and relationships could be generalised to 64 and 24 linguistic syntaxes. While relationships mainly capture attributes ('of'), structure ('in', 'with'), purpose ('to', 'for'), hierarchy ('include'), exemplification ('such as'), and behaviour ('to', 'from'), the hierarchical relationships could specifically be identified using 75 unique syntaxes. To understand the structural basis, we draw inspiration from various studies on biological/ecological networks and discover motifs from patent knowledge graphs. We identify four 3-node and four 4-node patterns that could further be converged and simplified into sequence [->...->], aggregation [->...<-], and hierarchy [<-...->]. Expected to guide large-language model based design tools, we propose few regulatory precepts for concretising abstract entities and relationships within subgraphs, while explicating hierarchical structures.

Legal case retrieval (LCR) is a cornerstone of real-world legal decision making, as it enables practitioners to identify precedents for a given query case. Existing approaches mainly rely on traditional lexical models and pretrained language models to encode the texts of legal cases. Yet there are rich information in the relations among different legal entities as well as the crucial reasoning process that uncovers how legal facts and legal issues can lead to judicial decisions. Such relational reasoning process reflects the distinctive characteristics of each case that can distinguish one from another, mirroring the real-world judicial process. Naturally, incorporating such information into the precise case embedding could further enhance the accuracy of case retrieval. In this paper, a novel ReaKase-8B framework is proposed to leverage extracted legal facts, legal issues, legal relation triplets and legal reasoning for effective legal case retrieval. ReaKase-8B designs an in-context legal case representation learning paradigm with a fine-tuned large language model. Extensive experiments on two benchmark datasets from COLIEE 2022 and COLIEE 2023 demonstrate that our knowledge and reasoning augmented embeddings substantially improve retrieval performance over baseline models, highlighting the potential of integrating legal reasoning into legal case retrieval systems. The code has been released on https://github.com/yanran-tang/ReaKase-8B.

Embedding-based methods for reasoning in knowledge hypergraphs learn a representation for each entity and relation. Current methods do not capture the procedural rules underlying the relations in the graph. We propose a simple embedding-based model called ReAlE that performs link prediction in knowledge hypergraphs (generalized knowledge graphs) and can represent high-level abstractions in terms of relational algebra operations. We show theoretically that ReAlE is fully expressive and provide proofs and empirical evidence that it can represent a large subset of the primitive relational algebra operations, namely renaming, projection, set union, selection, and set difference. We also verify experimentally that ReAlE outperforms state-of-the-art models in knowledge hypergraph completion, and in representing each of these primitive relational algebra operations. For the latter experiment, we generate a synthetic knowledge hypergraph, for which we design an algorithm based on the Erdos-R'enyi model for generating random graphs.

Large language models (LLMs) are capable of answering knowledge-intensive complex questions with chain-of-thought (CoT) reasoning. However, they tend to generate factually incorrect reasoning steps when the required knowledge is not available or up-to-date in models' parameters. Recent works turn to retrieving external knowledge to augment CoT reasoning. Despite being promising, these chain-based methods suffer from: 1) Negative retrieval. Unnecessary or incorrect retrieval may mislead the reasoning; 2) Limited sight. Lacking the ability to look backward or forward, a local error in one step will propagate along the chain. In this paper, we propose a novel approach: Probabilistic Tree-of-thought Reasoning (ProbTree). First, LLMs translate a complex question into a query tree, in which each non-root node denotes a sub-question of its parent node. Then, probabilistic reasoning is conducted over the tree, by solving questions from leaf to root considering the confidence of both question decomposing and answering. During reasoning, for leaf nodes, LLMs choose a more confident answer from Closed-book QA that employs parametric knowledge and Open-book QA that employs retrieved external knowledge, thus eliminating the negative retrieval problem. For non-leaf nodes, with the hierarchical structure, LLMs have broader sights and are able to globally reason with the information from child nodes, thus recovering from local errors. The experiments on three Complex QA datasets under the open-domain setting show that our approach outperforms SOTA methods significantly, demonstrating the effect of probabilistic tree-of-thought reasoning.

With the increase of data in day-to-day life, businesses and different stakeholders need to analyze the data for better predictions. Traditionally, relational data has been a source of various insights, but with the increase in computational power and the need to understand deeper relationships between entities, the need to design new techniques has arisen. For this graph data analysis has become an extraordinary tool for understanding the data, which reveals more realistic and flexible modelling of complex relationships. Recently, Graph Neural Networks (GNNs) have shown great promise in various applications, such as social network analysis, recommendation systems, drug discovery, and more. However, many adversarial attacks can happen over the data, whether during training (poisoning attack) or during testing (evasion attack), which can adversely manipulate the desired outcome from the GNN model. Therefore, it is crucial to make the GNNs robust to such attacks. The existing robustness methods are computationally demanding and perform poorly when the intensity of attack increases. This paper presents a computationally efficient framework, namely, pLapGNN, based on weighted p-Laplacian for making GNNs robust. Empirical evaluation on real datasets establishes the efficacy and efficiency of the proposed method.

Representation learning on heterogeneous graphs aims to obtain meaningful node representations to facilitate various downstream tasks, such as node classification and link prediction. Existing heterogeneous graph learning methods are primarily developed by following the propagation mechanism of node representations. There are few efforts on studying the role of relations for improving the learning of more fine-grained node representations. Indeed, it is important to collaboratively learn the semantic representations of relations and discern node representations with respect to different relation types. To this end, in this paper, we propose a novel Relation-aware Heterogeneous Graph Neural Network, namely R-HGNN, to learn node representations on heterogeneous graphs at a fine-grained level by considering relation-aware characteristics. Specifically, a dedicated graph convolution component is first designed to learn unique node representations from each relation-specific graph separately. Then, a cross-relation message passing module is developed to improve the interactions of node representations across different relations. Also, the relation representations are learned in a layer-wise manner to capture relation semantics, which are used to guide the node representation learning process. Moreover, a semantic fusing module is presented to aggregate relation-aware node representations into a compact representation with the learned relation representations. Finally, we conduct extensive experiments on a variety of graph learning tasks, and experimental results demonstrate that our approach consistently outperforms existing methods among all the tasks.

We consider learning representations of entities and relations in KBs using the neural-embedding approach. We show that most existing models, including NTN (Socher et al., 2013) and TransE (Bordes et al., 2013b), can be generalized under a unified learning framework, where entities are low-dimensional vectors learned from a neural network and relations are bilinear and/or linear mapping functions. Under this framework, we compare a variety of embedding models on the link prediction task. We show that a simple bilinear formulation achieves new state-of-the-art results for the task (achieving a top-10 accuracy of 73.2% vs. 54.7% by TransE on Freebase). Furthermore, we introduce a novel approach that utilizes the learned relation embeddings to mine logical rules such as "BornInCity(a,b) and CityInCountry(b,c) => Nationality(a,c)". We find that embeddings learned from the bilinear objective are particularly good at capturing relational semantics and that the composition of relations is characterized by matrix multiplication. More interestingly, we demonstrate that our embedding-based rule extraction approach successfully outperforms a state-of-the-art confidence-based rule mining approach in mining Horn rules that involve compositional reasoning.

Despite their exceptional generative abilities, large text-to-image diffusion models, much like skilled but careless artists, often struggle with accurately depicting visual relationships between objects. This issue, as we uncover through careful analysis, arises from a misaligned text encoder that struggles to interpret specific relationships and differentiate the logical order of associated objects. To resolve this, we introduce a novel task termed Relation Rectification, aiming to refine the model to accurately represent a given relationship it initially fails to generate. To address this, we propose an innovative solution utilizing a Heterogeneous Graph Convolutional Network (HGCN). It models the directional relationships between relation terms and corresponding objects within the input prompts. Specifically, we optimize the HGCN on a pair of prompts with identical relational words but reversed object orders, supplemented by a few reference images. The lightweight HGCN adjusts the text embeddings generated by the text encoder, ensuring the accurate reflection of the textual relation in the embedding space. Crucially, our method retains the parameters of the text encoder and diffusion model, preserving the model's robust performance on unrelated descriptions. We validated our approach on a newly curated dataset of diverse relational data, demonstrating both quantitative and qualitative enhancements in generating images with precise visual relations. Project page: https://wuyinwei-hah.github.io/rrnet.github.io/.

Pre-trained language models have been found to capture a surprisingly rich amount of lexical knowledge, ranging from commonsense properties of everyday concepts to detailed factual knowledge about named entities. Among others, this makes it possible to distill high-quality word vectors from pre-trained language models. However, it is currently unclear to what extent it is possible to distill relation embeddings, i.e. vectors that characterize the relationship between two words. Such relation embeddings are appealing because they can, in principle, encode relational knowledge in a more fine-grained way than is possible with knowledge graphs. To obtain relation embeddings from a pre-trained language model, we encode word pairs using a (manually or automatically generated) prompt, and we fine-tune the language model such that relationally similar word pairs yield similar output vectors. We find that the resulting relation embeddings are highly competitive on analogy (unsupervised) and relation classification (supervised) benchmarks, even without any task-specific fine-tuning. Source code to reproduce our experimental results and the model checkpoints are available in the following repository: https://github.com/asahi417/relbert

Analogical reasoning is at the core of human cognition, serving as an important foundation for a variety of intellectual activities. While prior work has shown that LLMs can represent task patterns and surface-level concepts, it remains unclear whether these models can encode high-level relational concepts and apply them to novel situations through structured comparisons. In this work, we explore this fundamental aspect using proportional and story analogies, and identify three key findings. First, LLMs effectively encode the underlying relationships between analogous entities; both attributive and relational information propagate through mid-upper layers in correct cases, whereas reasoning failures reflect missing relational information within these layers. Second, unlike humans, LLMs often struggle not only when relational information is missing, but also when attempting to apply it to new entities. In such cases, strategically patching hidden representations at critical token positions can facilitate information transfer to a certain extent. Lastly, successful analogical reasoning in LLMs is marked by strong structural alignment between analogous situations, whereas failures often reflect degraded or misplaced alignment. Overall, our findings reveal that LLMs exhibit emerging but limited capabilities in encoding and applying high-level relational concepts, highlighting both parallels and gaps with human cognition.

User event modeling plays a central role in many machine learning applications, with use cases spanning e-commerce, social media, finance, cybersecurity, and other domains. User events can be broadly categorized into personal events, which involve individual actions, and relational events, which involve interactions between two users. These two types of events are typically modeled separately, using sequence-based methods for personal events and graph-based methods for relational events. Despite the need to capture both event types in real-world systems, prior work has rarely considered them together. This is often due to the convenient simplification that user behavior can be adequately represented by a single formalization, either as a sequence or a graph. To address this gap, there is a need for public datasets and prediction tasks that explicitly incorporate both personal and relational events. In this work, we introduce a collection of such datasets, propose a unified formalization, and empirically show that models benefit from incorporating both event types. Our results also indicate that current methods leave a notable room for improvements. We release these resources to support further research in unified user event modeling and encourage progress in this direction.

Graph Neural Networks (GNNs) have shown exceptional performance in the task of link prediction. Despite their effectiveness, the high latency brought by non-trivial neighborhood data dependency limits GNNs in practical deployments. Conversely, the known efficient MLPs are much less effective than GNNs due to the lack of relational knowledge. In this work, to combine the advantages of GNNs and MLPs, we start with exploring direct knowledge distillation (KD) methods for link prediction, i.e., predicted logit-based matching and node representation-based matching. Upon observing direct KD analogs do not perform well for link prediction, we propose a relational KD framework, Linkless Link Prediction (LLP), to distill knowledge for link prediction with MLPs. Unlike simple KD methods that match independent link logits or node representations, LLP distills relational knowledge that is centered around each (anchor) node to the student MLP. Specifically, we propose rank-based matching and distribution-based matching strategies that complement each other. Extensive experiments demonstrate that LLP boosts the link prediction performance of MLPs with significant margins, and even outperforms the teacher GNNs on 7 out of 8 benchmarks. LLP also achieves a 70.68x speedup in link prediction inference compared to GNNs on the large-scale OGB dataset.

Many mathematical models have been leveraged to design embeddings for representing Knowledge Graph (KG) entities and relations for link prediction and many downstream tasks. These mathematically-inspired models are not only highly scalable for inference in large KGs, but also have many explainable advantages in modeling different relation patterns that can be validated through both formal proofs and empirical results. In this paper, we make a comprehensive overview of the current state of research in KG completion. In particular, we focus on two main branches of KG embedding (KGE) design: 1) distance-based methods and 2) semantic matching-based methods. We discover the connections between recently proposed models and present an underlying trend that might help researchers invent novel and more effective models. Next, we delve into CompoundE and CompoundE3D, which draw inspiration from 2D and 3D affine operations, respectively. They encompass a broad spectrum of techniques including distance-based and semantic-based methods. We will also discuss an emerging approach for KG completion which leverages pre-trained language models (PLMs) and textual descriptions of entities and relations and offer insights into the integration of KGE embedding methods with PLMs for KG completion.

Relations such as "is influenced by", "is known for" or "is a competitor of" are inherently graded: we can rank entity pairs based on how well they satisfy these relations, but it is hard to draw a line between those pairs that satisfy them and those that do not. Such graded relations play a central role in many applications, yet they are typically not covered by existing Knowledge Graphs. In this paper, we consider the possibility of using Large Language Models (LLMs) to fill this gap. To this end, we introduce a new benchmark, in which entity pairs have to be ranked according to how much they satisfy a given graded relation. The task is formulated as a few-shot ranking problem, where models only have access to a description of the relation and five prototypical instances. We use the proposed benchmark to evaluate state-of-the-art relation embedding strategies as well as several recent LLMs, covering both publicly available LLMs and closed models such as GPT-4. Overall, we find a strong correlation between model size and performance, with smaller Language Models struggling to outperform a naive baseline. The results of the largest Flan-T5 and OPT models are remarkably strong, although a clear gap with human performance remains.

Large Language Models (LLMs) have made notable progress in mathematical reasoning, yet they often rely on single-paradigm reasoning that limits their effectiveness across diverse tasks. In this paper, we introduce Chain-of-Reasoning (CoR), a novel unified framework that integrates multiple reasoning paradigms--Natural Language Reasoning (NLR), Algorithmic Reasoning (AR), and Symbolic Reasoning (SR)--to enable synergistic collaboration. CoR generates multiple potential answers using different reasoning paradigms and synthesizes them into a coherent final solution. We propose a Progressive Paradigm Training (PPT) strategy that allows models to progressively master these paradigms, culminating in the development of CoR-Math-7B. Experimental results demonstrate that CoR-Math-7B significantly outperforms current SOTA models, achieving up to a 41.0% absolute improvement over GPT-4 in theorem proving tasks and a 7.9% improvement over RL-based methods in arithmetic tasks. These results showcase the enhanced mathematical comprehensive ability of our model, achieving significant performance gains on specific tasks and enabling zero-shot generalization across tasks.

This tutorial serves as a comprehensive guide for understanding graph databases, focusing on the fundamentals of graph theory while showcasing practical applications across various fields. It starts by introducing foundational concepts and delves into the structure of graphs through nodes and edges, covering different types such as undirected, directed, weighted, and unweighted graphs. Key graph properties, terminologies, and essential algorithms for network analysis are outlined, including Dijkstras shortest path algorithm and methods for calculating node centrality and graph connectivity. The tutorial highlights the advantages of graph databases over traditional relational databases, particularly in efficiently managing complex, interconnected data. It examines leading graph database systems such as Neo4j, Amazon Neptune, and ArangoDB, emphasizing their unique features for handling large datasets. Practical instructions on graph operations using NetworkX and Neo4j are provided, covering node and edge creation, attribute assignment, and advanced queries with Cypher. Additionally, the tutorial explores common graph visualization techniques using tools like Plotly and Neo4j Bloom, which enhance the interpretation and usability of graph data. It also delves into community detection algorithms, including the Louvain method, which facilitates clustering in large networks. Finally, the paper concludes with recommendations for researchers interested in exploring the vast potential of graph technologies.

We present a novel architecture, In-Database Entity Linking (IDEL), in which we integrate the analytics-optimized RDBMS MonetDB with neural text mining abilities. Our system design abstracts core tasks of most neural entity linking systems for MonetDB. To the best of our knowledge, this is the first defacto implemented system integrating entity-linking in a database. We leverage the ability of MonetDB to support in-database-analytics with user defined functions (UDFs) implemented in Python. These functions call machine learning libraries for neural text mining, such as TensorFlow. The system achieves zero cost for data shipping and transformation by utilizing MonetDB's ability to embed Python processes in the database kernel and exchange data in NumPy arrays. IDEL represents text and relational data in a joint vector space with neural embeddings and can compensate errors with ambiguous entity representations. For detecting matching entities, we propose a novel similarity function based on joint neural embeddings which are learned via minimizing pairwise contrastive ranking loss. This function utilizes a high dimensional index structures for fast retrieval of matching entities. Our first implementation and experiments using the WebNLG corpus show the effectiveness and the potentials of IDEL.

Foundation models, particularly those that incorporate Transformer architectures, have demonstrated exceptional performance in domains such as natural language processing and image processing. Adapting these models to structured data, like tables, however, introduces significant challenges. These difficulties are even more pronounced when addressing multi-table data linked via foreign key, which is prevalent in the enterprise realm and crucial for empowering business use cases. Despite its substantial impact, research focusing on such linked business tables within enterprise settings remains a significantly important yet underexplored domain. To address this, we introduce a curated dataset sourced from an Enterprise Resource Planning (ERP) system, featuring extensive linked tables. This dataset is specifically designed to support research endeavors in table representation learning. By providing access to authentic enterprise data, our goal is to potentially enhance the effectiveness and applicability of models for real-world business contexts.

Tabular data is a common form of organizing data. Multiple models are available to generate synthetic tabular datasets where observations are independent, but few have the ability to produce relational datasets. Modeling relational data is challenging as it requires modeling both a "parent" table and its relationships across tables. We introduce REaLTabFormer (Realistic Relational and Tabular Transformer), a tabular and relational synthetic data generation model. It first creates a parent table using an autoregressive GPT-2 model, then generates the relational dataset conditioned on the parent table using a sequence-to-sequence (Seq2Seq) model. We implement target masking to prevent data copying and propose the Q_{delta} statistic and statistical bootstrapping to detect overfitting. Experiments using real-world datasets show that REaLTabFormer captures the relational structure better than a baseline model. REaLTabFormer also achieves state-of-the-art results on prediction tasks, "out-of-the-box", for large non-relational datasets without needing fine-tuning.

Relational databases play an important role in business, science, and more. However, many users cannot fully unleash the analytical power of relational databases, because they are not familiar with database languages such as SQL. Many techniques have been proposed to automatically generate SQL from natural language, but they suffer from two issues: (1) they still make many mistakes, particularly for complex queries, and (2) they do not provide a flexible way for non-expert users to validate and refine incorrect queries. To address these issues, we introduce a new interaction mechanism that allows users to directly edit a step-by-step explanation of a query to fix errors. Our experiments on multiple datasets, as well as a user study with 24 participants, demonstrate that our approach can achieve better performance than multiple SOTA approaches. Our code and datasets are available at https://github.com/magic-YuanTian/STEPS.

Transformer language models (LMs) have been shown to represent concepts as directions in the latent space of hidden activations. However, for any given human-interpretable concept, how can we find its direction in the latent space? We present a technique called linear relational concepts (LRC) for finding concept directions corresponding to human-interpretable concepts at a given hidden layer in a transformer LM by first modeling the relation between subject and object as a linear relational embedding (LRE). While the LRE work was mainly presented as an exercise in understanding model representations, we find that inverting the LRE while using earlier object layers results in a powerful technique to find concept directions that both work well as a classifier and causally influence model outputs.

Knowledge Graphs (KGs) can serve as reliable knowledge sources for question answering (QA) due to their structured representation of knowledge. Existing research on the utilization of KG for large language models (LLMs) prevalently relies on subgraph retriever or iterative prompting, overlooking the potential synergy of LLMs' step-wise reasoning capabilities and KGs' structural nature. In this paper, we present DoG (Decoding on Graphs), a novel framework that facilitates a deep synergy between LLMs and KGs. We first define a concept, well-formed chain, which consists of a sequence of interrelated fact triplets on the KGs, starting from question entities and leading to answers. We argue that this concept can serve as a principle for making faithful and sound reasoning for KGQA. To enable LLMs to generate well-formed chains, we propose graph-aware constrained decoding, in which a constraint derived from the topology of the KG regulates the decoding process of the LLMs. This constrained decoding method ensures the generation of well-formed chains while making full use of the step-wise reasoning capabilities of LLMs. Based on the above, DoG, a training-free approach, is able to provide faithful and sound reasoning trajectories grounded on the KGs. Experiments across various KGQA tasks with different background KGs demonstrate that DoG achieves superior and robust performance. DoG also shows general applicability with various open-source LLMs.

Knowledge graph embedding (KGE) aims to learn continuous vectors of relations and entities in knowledge graph. Recently, transition-based KGE methods have achieved promising performance, where the single relation vector learns to translate head entity to tail entity. However, this scoring pattern is not suitable for complex scenarios where the same entity pair has different relations. Previous models usually focus on the improvement of entity representation for 1-to-N, N-to-1 and N-to-N relations, but ignore the single relation vector. In this paper, we propose a novel transition-based method, TranS, for knowledge graph embedding. The single relation vector in traditional scoring patterns is replaced with synthetic relation representation, which can solve these issues effectively and efficiently. Experiments on a large knowledge graph dataset, ogbl-wikikg2, show that our model achieves state-of-the-art results.

Compositional relational reasoning (CRR) is a hallmark of human intelligence, but we lack a clear understanding of whether and how existing transformer large language models (LLMs) can solve CRR tasks. To enable systematic exploration of the CRR capability of LLMs, we first propose a new synthetic benchmark called Generalized Associative Recall (GAR) by integrating and generalizing the essence of several tasks in mechanistic interpretability (MI) study in a unified framework. Evaluation shows that GAR is challenging enough for existing LLMs, revealing their fundamental deficiency in CRR. Meanwhile, it is easy enough for systematic MI study. Then, to understand how LLMs solve GAR tasks, we use attribution patching to discover the core circuits reused by Vicuna-33B across different tasks and a set of vital attention heads. Intervention experiments show that the correct functioning of these heads significantly impacts task performance. Especially, we identify two classes of heads whose activations represent the abstract notion of true and false in GAR tasks respectively. They play a fundamental role in CRR across various models and tasks. The dataset and code are available at https://github.com/Caiyun-AI/GAR.

Describing images with text is a fundamental problem in vision-language research. Current studies in this domain mostly focus on single image captioning. However, in various real applications (e.g., image editing, difference interpretation, and retrieval), generating relational captions for two images, can also be very useful. This important problem has not been explored mostly due to lack of datasets and effective models. To push forward the research in this direction, we first introduce a new language-guided image editing dataset that contains a large number of real image pairs with corresponding editing instructions. We then propose a new relational speaker model based on an encoder-decoder architecture with static relational attention and sequential multi-head attention. We also extend the model with dynamic relational attention, which calculates visual alignment while decoding. Our models are evaluated on our newly collected and two public datasets consisting of image pairs annotated with relationship sentences. Experimental results, based on both automatic and human evaluation, demonstrate that our model outperforms all baselines and existing methods on all the datasets.

Existing datasets for narrative understanding often fail to represent the complexity and uncertainty of relationships in real-life social scenarios. To address this gap, we introduce a new benchmark, Conan, designed for extracting and analysing intricate character relation graphs from detective narratives. Specifically, we designed hierarchical relationship categories and manually extracted and annotated role-oriented relationships from the perspectives of various characters, incorporating both public relationships known to most characters and secret ones known to only a few. Our experiments with advanced Large Language Models (LLMs) like GPT-3.5, GPT-4, and Llama2 reveal their limitations in inferencing complex relationships and handling longer narratives. The combination of the Conan dataset and our pipeline strategy is geared towards understanding the ability of LLMs to comprehend nuanced relational dynamics in narrative contexts.

Recently, LLMs have garnered increasing attention across academic disciplines for their potential as human digital twins, virtual proxies designed to replicate individuals and autonomously perform tasks such as decision-making, problem-solving, and reasoning on their behalf. However, current evaluations of LLMs primarily emphasize dialogue simulation while overlooking human behavior simulation, which is crucial for digital twins. To address this gap, we introduce BehaviorChain, the first benchmark for evaluating LLMs' ability to simulate continuous human behavior. BehaviorChain comprises diverse, high-quality, persona-based behavior chains, totaling 15,846 distinct behaviors across 1,001 unique personas, each with detailed history and profile metadata. For evaluation, we integrate persona metadata into LLMs and employ them to iteratively infer contextually appropriate behaviors within dynamic scenarios provided by BehaviorChain. Comprehensive evaluation results demonstrated that even state-of-the-art models struggle with accurately simulating continuous human behavior.

Foundation models have demonstrated remarkable capabilities across various domains, but developing analogous models for knowledge graphs presents unique challenges due to their dynamic nature and the need for cross-domain reasoning. To address these issues, we introduce \textsc{GraphOracle}, a relation-centric foundation model that unifies reasoning across knowledge graphs by converting them into Relation-Dependency Graphs (RDG), explicitly encoding compositional patterns with fewer edges than prior methods. A query-dependent attention mechanism is further developed to learn inductive representations for both relations and entities. Pre-training on diverse knowledge graphs, followed by minutes-level fine-tuning, enables effective generalization to unseen entities, relations, and entire graphs. Through comprehensive experiments on 31 diverse benchmarks spanning transductive, inductive, and cross-domain settings, we demonstrate consistent state-of-the-art performance with minimal adaptation, improving the prediction performance by up to 35\% compared to the strongest baselines.

Transaction data from digital payment systems can be used to study economic processes at such a detail that was not possible previously. Here, we analyse the data from Sarafu token network, a community inclusion currency in Kenya. During the COVID-19 emergency, the Sarafu was disbursed as part of a humanitarian aid project. In this work, the transactions are analysed using network science. A topological categorisation is defined to identify cyclic and acyclic components. Furthermore, temporal aspects of circulation taking place within these components are considered. The significant presence of different types of strongly connected components as compared to randomized null models shows the importance of cycles in this economic network. Especially, indicating their key role in currency recirculation. In some acyclic components, the most significant triad suggests the presence of a group of users collecting currency from accounts active only once, hinting at a misuse of the system. In some other acyclic components, small isolated groups of users were active only once, suggesting the presence of users only interested in trying out the system. The methods used in this paper can answer specific questions related to user activities, currency design, and assessment of monetary interventions. Our methodology provides a general quantitative tool for analysing the behaviour of users in a currency network.

Chinese Named Entity Recognition (NER) is an important task in information extraction, which has a significant impact on downstream applications. Due to the lack of natural separators in Chinese, previous NER methods mostly relied on external dictionaries to enrich the semantic and boundary information of Chinese words. However, such methods may introduce noise that affects the accuracy of named entity recognition. To this end, we propose a character relation enhanced Chinese NER model (CRENER). This model defines four types of tags that reflect the relationships between characters, and proposes a fine-grained modeling of the relationships between characters based on three types of relationships: adjacency relations between characters, relations between characters and tags, and relations between tags, to more accurately identify entity boundaries and improve Chinese NER accuracy. Specifically, we transform the Chinese NER task into a character-character relationship classification task, ensuring the accuracy of entity boundary recognition through joint modeling of relation tags. To enhance the model's ability to understand contextual information, WRENER further constructed an adapted transformer encoder that combines unscaled direction-aware and distance-aware masked self-attention mechanisms. Moreover, a relationship representation enhancement module was constructed to model predefined relationship tags, effectively mining the relationship representations between characters and tags. Experiments conducted on four well-known Chinese NER benchmark datasets have shown that the proposed model outperforms state-of-the-art baselines. The ablation experiment also demonstrated the effectiveness of the proposed model.

This work addresses two important questions pertinent to Relation Extraction (RE). First, what are all possible relations that could exist between any two given entity types? Second, how do we define an unambiguous taxonomical (is-a) hierarchy among the identified relations? To address the first question, we use three resources Wikipedia Infobox, Wikidata, and DBpedia. This study focuses on relations between person, organization and location entity types. We exploit Wikidata and DBpedia in a data-driven manner, and Wikipedia Infobox templates manually to generate lists of relations. Further, to address the second question, we canonicalize, filter, and combine the identified relations from the three resources to construct a taxonomical hierarchy. This hierarchy contains 623 canonical relations with highest contribution from Wikipedia Infobox followed by DBpedia and Wikidata. The generated relation list subsumes an average of 85% of relations from RE datasets when entity types are restricted.

Tabular representation learning has recently gained a lot of attention. However, existing approaches only learn a representation from a single table, and thus ignore the potential to learn from the full structure of relational databases, including neighboring tables that can contain important information for a contextualized representation. Moreover, current models are significantly limited in scale, which prevents that they learn from large databases. In this paper, we thus introduce our vision of relational representation learning, that can not only learn from the full relational structure, but also can scale to larger database sizes that are commonly found in real-world. Moreover, we also discuss opportunities and challenges we see along the way to enable this vision and present initial very promising results. Overall, we argue that this direction can lead to foundation models for relational databases that are today only available for text and images.

Large Language Models (LLMs) have achieved remarkable success in natural language processing through strong semantic understanding and generation. However, their black-box nature limits structured and multi-hop reasoning. In contrast, Text-Attributed Graphs (TAGs) provide explicit relational structures enriched with textual context, yet often lack semantic depth. Recent research shows that combining LLMs and TAGs yields complementary benefits: enhancing TAG representation learning and improving the reasoning and interpretability of LLMs. This survey provides the first systematic review of LLM--TAG integration from an orchestration perspective. We introduce a novel taxonomy covering two fundamental directions: LLM for TAG, where LLMs enrich graph-based tasks, and TAG for LLM, where structured graphs improve LLM reasoning. We categorize orchestration strategies into sequential, parallel, and multi-module frameworks, and discuss advances in TAG-specific pretraining, prompting, and parameter-efficient fine-tuning. Beyond methodology, we summarize empirical insights, curate available datasets, and highlight diverse applications across recommendation systems, biomedical analysis, and knowledge-intensive question answering. Finally, we outline open challenges and promising research directions, aiming to guide future work at the intersection of language and graph learning.

It is crucial to automatically construct knowledge graphs (KGs) of diverse new relations to support knowledge discovery and broad applications. Previous KG construction methods, based on either crowdsourcing or text mining, are often limited to a small predefined set of relations due to manual cost or restrictions in text corpus. Recent research proposed to use pretrained language models (LMs) as implicit knowledge bases that accept knowledge queries with prompts. Yet, the implicit knowledge lacks many desirable properties of a full-scale symbolic KG, such as easy access, navigation, editing, and quality assurance. In this paper, we propose a new approach of harvesting massive KGs of arbitrary relations from pretrained LMs. With minimal input of a relation definition (a prompt and a few shot of example entity pairs), the approach efficiently searches in the vast entity pair space to extract diverse accurate knowledge of the desired relation. We develop an effective search-and-rescore mechanism for improved efficiency and accuracy. We deploy the approach to harvest KGs of over 400 new relations from different LMs. Extensive human and automatic evaluations show our approach manages to extract diverse accurate knowledge, including tuples of complex relations (e.g., "A is capable of but not good at B"). The resulting KGs as a symbolic interpretation of the source LMs also reveal new insights into the LMs' knowledge capacities.

Human knowledge provides a formal understanding of the world. Knowledge graphs that represent structural relations between entities have become an increasingly popular research direction towards cognition and human-level intelligence. In this survey, we provide a comprehensive review of knowledge graph covering overall research topics about 1) knowledge graph representation learning, 2) knowledge acquisition and completion, 3) temporal knowledge graph, and 4) knowledge-aware applications, and summarize recent breakthroughs and perspective directions to facilitate future research. We propose a full-view categorization and new taxonomies on these topics. Knowledge graph embedding is organized from four aspects of representation space, scoring function, encoding models, and auxiliary information. For knowledge acquisition, especially knowledge graph completion, embedding methods, path inference, and logical rule reasoning, are reviewed. We further explore several emerging topics, including meta relational learning, commonsense reasoning, and temporal knowledge graphs. To facilitate future research on knowledge graphs, we also provide a curated collection of datasets and open-source libraries on different tasks. In the end, we have a thorough outlook on several promising research directions.

This work aims to tackle the challenging heterogeneous graph encoding problem in the text-to-SQL task. Previous methods are typically node-centric and merely utilize different weight matrices to parameterize edge types, which 1) ignore the rich semantics embedded in the topological structure of edges, and 2) fail to distinguish local and non-local relations for each node. To this end, we propose a Line Graph Enhanced Text-to-SQL (LGESQL) model to mine the underlying relational features without constructing meta-paths. By virtue of the line graph, messages propagate more efficiently through not only connections between nodes, but also the topology of directed edges. Furthermore, both local and non-local relations are integrated distinctively during the graph iteration. We also design an auxiliary task called graph pruning to improve the discriminative capability of the encoder. Our framework achieves state-of-the-art results (62.8% with Glove, 72.0% with Electra) on the cross-domain text-to-SQL benchmark Spider at the time of writing.

Logical rules are essential for uncovering the logical connections between relations, which could improve the reasoning performance and provide interpretable results on knowledge graphs (KGs). Although there have been many efforts to mine meaningful logical rules over KGs, existing methods suffer from the computationally intensive searches over the rule space and a lack of scalability for large-scale KGs. Besides, they often ignore the semantics of relations which is crucial for uncovering logical connections. Recently, large language models (LLMs) have shown impressive performance in the field of natural language processing and various applications, owing to their emergent ability and generalizability. In this paper, we propose a novel framework, ChatRule, unleashing the power of large language models for mining logical rules over knowledge graphs. Specifically, the framework is initiated with an LLM-based rule generator, leveraging both the semantic and structural information of KGs to prompt LLMs to generate logical rules. To refine the generated rules, a rule ranking module estimates the rule quality by incorporating facts from existing KGs. Last, a rule validator harnesses the reasoning ability of LLMs to validate the logical correctness of ranked rules through chain-of-thought reasoning. ChatRule is evaluated on four large-scale KGs, w.r.t. different rule quality metrics and downstream tasks, showing the effectiveness and scalability of our method.

While enabling large language models to implement function calling (known as APIs) can greatly enhance the performance of LLMs, function calling is still a challenging task due to the complicated relations between different APIs, especially in a context-learning setting without fine-tuning. This paper proposes a simple yet controllable target-driven approach called Reverse Chain to empower LLMs with capabilities to use external APIs with only prompts. Given that most open-source LLMs have limited tool-use or tool-plan capabilities, LLMs in Reverse Chain are only employed to implement simple tasks, e.g., API selection and argument completion, and a generic rule is employed to implement a controllable multiple functions calling. In this generic rule, after selecting a final API to handle a given task via LLMs, we first ask LLMs to fill the required arguments from user query and context. Some missing arguments could be further completed by letting LLMs select another API based on API description before asking user. This process continues until a given task is completed. Extensive numerical experiments indicate an impressive capability of Reverse Chain on implementing multiple function calling. Interestingly enough, the experiments also reveal that tool-use capabilities of the existing LLMs, e.g., ChatGPT, can be greatly improved via Reverse Chain.

Graphs are a fundamental data structure for representing relationships in real-world scenarios. With the success of Large Language Models (LLMs) across various natural language processing (NLP) tasks, there has been growing interest in integrating LLMs for graph learning. However, applying LLMs to graph-related tasks poses significant challenges, as these models are not inherently designed to capture the complex structural information present in graphs. Existing approaches address this challenge through two strategies: the chain of tasks approach, which uses Graph Neural Networks (GNNs) to encode the graph structure so that LLMs are relieved from understanding spatial positions; and Graph-to-Text Conversion, which translates graph structures into semantic text representations that LLMs can process. Despite their progress, these methods often struggle to fully preserve the topological information of graphs or require extensive computational resources, limiting their practical applicability. In this work, we introduce Node Tokenizer for Large Language Models (NT-LLM), a novel framework that efficiently encodes graph structures by selecting key nodes as anchors and representing each node based on its relative distance to these anchors. This position-anchored encoding effectively captures the graph topology, enabling enhanced reasoning capabilities in LLMs over graph data. Additionally, we implement a task-specific tuning procedure to further improve structural understanding within LLMs. Through extensive empirical evaluations, NT-LLM demonstrates significant performance improvements across a variety of graph-related tasks.

Knowledge Graph Foundation Models (KGFMs) are at the frontier for deep learning on knowledge graphs (KGs), as they can generalize to completely novel knowledge graphs with different relational vocabularies. Despite their empirical success, our theoretical understanding of KGFMs remains very limited. In this paper, we conduct a rigorous study of the expressive power of KGFMs. Specifically, we show that the expressive power of KGFMs directly depends on the motifs that are used to learn the relation representations. We then observe that the most typical motifs used in the existing literature are binary, as the representations are learned based on how pairs of relations interact, which limits the model's expressiveness. As part of our study, we design more expressive KGFMs using richer motifs, which necessitate learning relation representations based on, e.g., how triples of relations interact with each other. Finally, we empirically validate our theoretical findings, showing that the use of richer motifs results in better performance on a wide range of datasets drawn from different domains.

Foundation models in language and vision have the ability to run inference on any textual and visual inputs thanks to the transferable representations such as a vocabulary of tokens in language. Knowledge graphs (KGs) have different entity and relation vocabularies that generally do not overlap. The key challenge of designing foundation models on KGs is to learn such transferable representations that enable inference on any graph with arbitrary entity and relation vocabularies. In this work, we make a step towards such foundation models and present ULTRA, an approach for learning universal and transferable graph representations. ULTRA builds relational representations as a function conditioned on their interactions. Such a conditioning strategy allows a pre-trained ULTRA model to inductively generalize to any unseen KG with any relation vocabulary and to be fine-tuned on any graph. Conducting link prediction experiments on 57 different KGs, we find that the zero-shot inductive inference performance of a single pre-trained ULTRA model on unseen graphs of various sizes is often on par or better than strong baselines trained on specific graphs. Fine-tuning further boosts the performance.

Graph-based deep learning methods have become popular tools to process collections of correlated time series. Differently from traditional multivariate forecasting methods, neural graph-based predictors take advantage of pairwise relationships by conditioning forecasts on a (possibly dynamic) graph spanning the time series collection. The conditioning can take the form of an architectural inductive bias on the neural forecasting architecture, resulting in a family of deep learning models called spatiotemporal graph neural networks. Such relational inductive biases enable the training of global forecasting models on large time-series collections, while at the same time localizing predictions w.r.t. each element in the set (i.e., graph nodes) by accounting for local correlations among them (i.e., graph edges). Indeed, recent theoretical and practical advances in graph neural networks and deep learning for time series forecasting make the adoption of such processing frameworks appealing and timely. However, most of the studies in the literature focus on proposing variations of existing neural architectures by taking advantage of modern deep learning practices, while foundational and methodological aspects have not been subject to systematic investigation. To fill the gap, this paper aims to introduce a comprehensive methodological framework that formalizes the forecasting problem and provides design principles for graph-based predictive models and methods to assess their performance. At the same time, together with an overview of the field, we provide design guidelines, recommendations, and best practices, as well as an in-depth discussion of open challenges and future research directions.

Multimodal relation extraction (MRE) is a crucial task in the fields of Knowledge Graph and Multimedia, playing a pivotal role in multimodal knowledge graph construction. However, existing methods are typically limited to extracting a single type of relational triplet, which restricts their ability to extract triplets beyond the specified types. Directly combining these methods fails to capture dynamic cross-modal interactions and introduces significant computational redundancy. Therefore, we propose a novel unified multimodal Relation Extraction framework with Multilevel Optimal Transport and mixture-of-Experts, termed REMOTE, which can simultaneously extract intra-modal and inter-modal relations between textual entities and visual objects. To dynamically select optimal interaction features for different types of relational triplets, we introduce mixture-of-experts mechanism, ensuring the most relevant modality information is utilized. Additionally, considering that the inherent property of multilayer sequential encoding in existing encoders often leads to the loss of low-level information, we adopt a multilevel optimal transport fusion module to preserve low-level features while maintaining multilayer encoding, yielding more expressive representations. Correspondingly, we also create a Unified Multimodal Relation Extraction (UMRE) dataset to evaluate the effectiveness of our framework, encompassing diverse cases where the head and tail entities can originate from either text or image. Extensive experiments show that REMOTE effectively extracts various types of relational triplets and achieves state-of-the-art performanc on almost all metrics across two other public MRE datasets. We release our resources at https://github.com/Nikol-coder/REMOTE.

Reasoning ability is one of the most crucial capabilities of a foundation model, signifying its capacity to address complex reasoning tasks. Chain-of-Thought (CoT) technique is widely regarded as one of the effective methods for enhancing the reasoning ability of foundation models and has garnered significant attention. However, the reasoning process of CoT is linear, step-by-step, similar to personal logical reasoning, suitable for solving general and slightly complicated problems. On the contrary, the thinking pattern of an expert owns two prominent characteristics that cannot be handled appropriately in CoT, i.e., high-order multi-hop reasoning and multimodal comparative judgement. Therefore, the core motivation of this paper is transcending CoT to construct a reasoning paradigm that can think like an expert. The hyperedge of a hypergraph could connect various vertices, making it naturally suitable for modelling high-order relationships. Inspired by this, this paper innovatively proposes a multimodal Hypergraph-of-Thought (HoT) reasoning paradigm, which enables the foundation models to possess the expert-level ability of high-order multi-hop reasoning and multimodal comparative judgement. Specifically, a textual hypergraph-of-thought is constructed utilizing triple as the primary thought to model higher-order relationships, and a hyperedge-of-thought is generated through multi-hop walking paths to achieve multi-hop inference. Furthermore, we devise a visual hypergraph-of-thought to interact with the textual hypergraph-of-thought via Cross-modal Co-Attention Graph Learning for multimodal comparative verification. Experimentations on the ScienceQA benchmark demonstrate the proposed HoT-based T5 outperforms CoT-based GPT3.5 and chatGPT, which is on par with CoT-based GPT4 with a lower model size.

Knowledge distillation is a powerful technique for transferring knowledge from a pre-trained teacher model to a student model. However, the true potential of knowledge transfer has not been fully explored. Existing approaches primarily focus on distilling individual information or instance-level relationships, overlooking the valuable information embedded in token-level relationships, which may be particularly affected by the long-tail effects. To address the above limitations, we propose a novel method called Knowledge Distillation with Token-level Relationship Graph (TRG) that leverages the token-wise relational knowledge to enhance the performance of knowledge distillation. By employing TRG, the student model can effectively emulate higher-level semantic information from the teacher model, resulting in improved distillation results. To further enhance the learning process, we introduce a token-wise contextual loss called contextual loss, which encourages the student model to capture the inner-instance semantic contextual of the teacher model. We conduct experiments to evaluate the effectiveness of the proposed method against several state-of-the-art approaches. Empirical results demonstrate the superiority of TRG across various visual classification tasks, including those involving imbalanced data. Our method consistently outperforms the existing baselines, establishing a new state-of-the-art performance in the field of knowledge distillation.

The reasoning segmentation task, which demands a nuanced comprehension of intricate queries to accurately pinpoint object regions, is attracting increasing attention. However, Multi-modal Large Language Models (MLLM) often find it difficult to accurately localize the objects described in complex reasoning contexts. We believe that the act of reasoning segmentation should mirror the cognitive stages of human visual search, where each step is a progressive refinement of thought toward the final object. Thus we introduce the Chains of Reasoning and Segmenting (CoReS) and find this top-down visual hierarchy indeed enhances the visual search process. Specifically, we propose a dual-chain structure that generates multi-modal, chain-like outputs to aid the segmentation process. Furthermore, to steer the MLLM's outputs into this intended hierarchy, we incorporate in-context inputs as guidance. Extensive experiments demonstrate the superior performance of our CoReS, which surpasses the state-of-the-art method by 6.5\% on the ReasonSeg dataset. Project: https://chain-of-reasoning-and-segmentation.github.io/.

Embedding knowledge graphs (KGs) into continuous vector spaces is a focus of current research. Early works performed this task via simple models developed over KG triples. Recent attempts focused on either designing more complicated triple scoring models, or incorporating extra information beyond triples. This paper, by contrast, investigates the potential of using very simple constraints to improve KG embedding. We examine non-negativity constraints on entity representations and approximate entailment constraints on relation representations. The former help to learn compact and interpretable representations for entities. The latter further encode regularities of logical entailment between relations into their distributed representations. These constraints impose prior beliefs upon the structure of the embedding space, without negative impacts on efficiency or scalability. Evaluation on WordNet, Freebase, and DBpedia shows that our approach is simple yet surprisingly effective, significantly and consistently outperforming competitive baselines. The constraints imposed indeed improve model interpretability, leading to a substantially increased structuring of the embedding space. Code and data are available at https://github.com/iieir-km/ComplEx-NNE_AER.

Large language models (LLMs) have demonstrated remarkable success across a wide range of tasks; however, they still encounter challenges in reasoning tasks that require understanding and inferring relationships between distinct pieces of information within text sequences. This challenge is particularly pronounced in tasks involving multi-step processes, such as logical reasoning and multi-hop question answering, where understanding implicit relationships between entities and leveraging multi-hop connections in the given context are crucial. Graphs, as fundamental data structures, explicitly represent pairwise relationships between entities, thereby offering the potential to enhance LLMs' reasoning capabilities. External graphs have proven effective in supporting LLMs across multiple tasks. However, in many reasoning tasks, no pre-existing graph structure is provided. Can we structure implicit knowledge derived from context into graphs to assist LLMs in reasoning? In this paper, we propose Reasoning with Graphs (RwG) by first constructing explicit graphs from the context and then leveraging these graphs to enhance LLM reasoning performance on reasoning tasks. Extensive experiments demonstrate the effectiveness of the proposed method in improving both logical reasoning and multi-hop question answering tasks.

We propose an intuitive LLM prompting framework (AgentKit) for multifunctional agents. AgentKit offers a unified framework for explicitly constructing a complex "thought process" from simple natural language prompts. The basic building block in AgentKit is a node, containing a natural language prompt for a specific subtask. The user then puts together chains of nodes, like stacking LEGO pieces. The chains of nodes can be designed to explicitly enforce a naturally structured "thought process". For example, for the task of writing a paper, one may start with the thought process of 1) identify a core message, 2) identify prior research gaps, etc. The nodes in AgentKit can be designed and combined in different ways to implement multiple advanced capabilities including on-the-fly hierarchical planning, reflection, and learning from interactions. In addition, due to the modular nature and the intuitive design to simulate explicit human thought process, a basic agent could be implemented as simple as a list of prompts for the subtasks and therefore could be designed and tuned by someone without any programming experience. Quantitatively, we show that agents designed through AgentKit achieve SOTA performance on WebShop and Crafter. These advances underscore AgentKit's potential in making LLM agents effective and accessible for a wider range of applications. https://github.com/holmeswww/AgentKit

Large Language Models (LLMs) may suffer from hallucinations in real-world applications due to the lack of relevant knowledge. In contrast, knowledge graphs encompass extensive, multi-relational structures that store a vast array of symbolic facts. Consequently, integrating LLMs with knowledge graphs has been extensively explored, with Knowledge Graph Question Answering (KGQA) serving as a critical touchstone for the integration. This task requires LLMs to answer natural language questions by retrieving relevant triples from knowledge graphs. However, existing methods face two significant challenges: excessively long reasoning paths distracting from the answer generation, and false-positive relations hindering the path refinement. In this paper, we propose an iterative interactive KGQA framework that leverages the interactive learning capabilities of LLMs to perform reasoning and Debating over Graphs (DoG). Specifically, DoG employs a subgraph-focusing mechanism, allowing LLMs to perform answer trying after each reasoning step, thereby mitigating the impact of lengthy reasoning paths. On the other hand, DoG utilizes a multi-role debate team to gradually simplify complex questions, reducing the influence of false-positive relations. This debate mechanism ensures the reliability of the reasoning process. Experimental results on five public datasets demonstrate the effectiveness and superiority of our architecture. Notably, DoG outperforms the state-of-the-art method ToG by 23.7\% and 9.1\% in accuracy on WebQuestions and GrailQA, respectively. Furthermore, the integration experiments with various LLMs on the mentioned datasets highlight the flexibility of DoG. Code is available at https://github.com/reml-group/DoG.

Graph Neural Networks (GNNs) have gained traction across different domains such as transportation, bio-informatics, language processing, and computer vision. However, there is a noticeable absence of research on applying GNNs to supply chain networks. Supply chain networks are inherently graph-like in structure, making them prime candidates for applying GNN methodologies. This opens up a world of possibilities for optimizing, predicting, and solving even the most complex supply chain problems. A major setback in this approach lies in the absence of real-world benchmark datasets to facilitate the research and resolution of supply chain problems using GNNs. To address the issue, we present a real-world benchmark dataset for temporal tasks, obtained from one of the leading FMCG companies in Bangladesh, focusing on supply chain planning for production purposes. The dataset includes temporal data as node features to enable sales predictions, production planning, and the identification of factory issues. By utilizing this dataset, researchers can employ GNNs to address numerous supply chain problems, thereby advancing the field of supply chain analytics and planning. Source: https://github.com/CIOL-SUST/SupplyGraph

The cascade of 2D geometric transformations were exploited to model relations between entities in a knowledge graph (KG), leading to an effective KG embedding (KGE) model, CompoundE. Furthermore, the rotation in the 3D space was proposed as a new KGE model, Rotate3D, by leveraging its non-commutative property. Inspired by CompoundE and Rotate3D, we leverage 3D compound geometric transformations, including translation, rotation, scaling, reflection, and shear and propose a family of KGE models, named CompoundE3D, in this work. CompoundE3D allows multiple design variants to match rich underlying characteristics of a KG. Since each variant has its own advantages on a subset of relations, an ensemble of multiple variants can yield superior performance. The effectiveness and flexibility of CompoundE3D are experimentally verified on four popular link prediction datasets.

Blockchains have seen growing traction with cryptocurrencies reaching a market cap of over 1 trillion dollars, major institution investors taking interests, and global impacts on governments, businesses, and individuals. Also growing significantly is the heterogeneity of the ecosystem where a variety of blockchains co-exist. Cross-chain bridge is a necessary building block in this multi-chain ecosystem. Existing solutions, however, either suffer from performance issues or rely on trust assumptions of committees that significantly lower the security. Recurring attacks against bridges have cost users more than 1.5 billion USD. In this paper, we introduce zkBridge, an efficient cross-chain bridge that guarantees strong security without external trust assumptions. With succinct proofs, zkBridge not only guarantees correctness, but also significantly reduces on-chain verification cost. We propose novel succinct proof protocols that are orders-of-magnitude faster than existing solutions for workload in zkBridge. With a modular design, zkBridge enables a broad spectrum of use cases and capabilities, including message passing, token transferring, and other computational logic operating on state changes from different chains. To demonstrate the practicality of zkBridge, we implemented a prototype bridge from Cosmos to Ethereum, a particularly challenging direction that involves large proof circuits that existing systems cannot efficiently handle. Our evaluation shows that zkBridge achieves practical performance: proof generation takes less than 20 seconds, while verifying proofs on-chain costs less than 230K gas. For completeness, we also implemented and evaluated the direction from Ethereum to other EVM-compatible chains (such as BSC) which involves smaller circuits and incurs much less overhead.

Large language models (LLMs) have made remarkable strides in various natural language processing tasks, but their performance on complex reasoning problems remains hindered by a lack of explainability and trustworthiness. This issue, often manifesting as hallucinations or unattributable reasoning processes, limits their applicability in complex reasoning scenarios. To address this, we propose Knowledge Graph-constrained Trajectory Reasoning Attribution and Chain Explanation Supervision (KG-TRACES), a novel framework that enhances the reasoning ability of LLMs through explicit supervision over reasoning paths and processes. KG-TRACES jointly supervises the model to: (1) predict symbolic relation paths, (2) predict full triple-level reasoning paths, and (3) generate attribution-aware reasoning processes grounded in the reasoning paths. At inference phase, the model adapts to both KG-available and KG-unavailable scenarios, retrieving reasoning paths from a KG when possible or predicting plausible reasoning paths with only intrinsic knowledge when not. This design enables the model to reason in an explainable and source-attributable pattern. Through extensive experiments on complex reasoning tasks, we demonstrate that KG-TRACES significantly outperforms existing SOTA: it improves Hits@1 by 1.6% and F1 by 4.7% on WebQSP, and achieves improvements of 4.8% in Hits@1 and 2.1% in F1 on CWQ. Moreover, we show its transferability to specialized domains such as medicine. By visualizing the intermediate steps of reasoning processes, we further show that the explicit supervision introduced by KG-TRACES leads to more stable and goal-directed reasoning processes, aligning closely with correct answers. Code is available at https://github.com/Edaizi/KG-TRACES.

Relation triple extraction, which outputs a set of triples from long sentences, plays a vital role in knowledge acquisition. Large language models can accurately extract triples from simple sentences through few-shot learning or fine-tuning when given appropriate instructions. However, they often miss out when extracting from complex sentences. In this paper, we design an evaluation-filtering framework that integrates large language models with small models for relational triple extraction tasks. The framework includes an evaluation model that can extract related entity pairs with high precision. We propose a simple labeling principle and a deep neural network to build the model, embedding the outputs as prompts into the extraction process of the large model. We conduct extensive experiments to demonstrate that the proposed method can assist large language models in obtaining more accurate extraction results, especially from complex sentences containing multiple relational triples. Our evaluation model can also be embedded into traditional extraction models to enhance their extraction precision from complex sentences.

In this paper, we present the Intra- and Inter-Human Relation Networks (I^2R-Net) for Multi-Person Pose Estimation. It involves two basic modules. First, the Intra-Human Relation Module operates on a single person and aims to capture Intra-Human dependencies. Second, the Inter-Human Relation Module considers the relation between multiple instances and focuses on capturing Inter-Human interactions. The Inter-Human Relation Module can be designed very lightweight by reducing the resolution of feature map, yet learn useful relation information to significantly boost the performance of the Intra-Human Relation Module. Even without bells and whistles, our method can compete or outperform current competition winners. We conduct extensive experiments on COCO, CrowdPose, and OCHuman datasets. The results demonstrate that the proposed model surpasses all the state-of-the-art methods. Concretely, the proposed method achieves 77.4% AP on CrowPose dataset and 67.8% AP on OCHuman dataset respectively, outperforming existing methods by a large margin. Additionally, the ablation study and visualization analysis also prove the effectiveness of our model.

Despite its outstanding performance in various graph tasks, vanilla Message Passing Neural Network (MPNN) usually fails in link prediction tasks, as it only uses representations of two individual target nodes and ignores the pairwise relation between them. To capture the pairwise relations, some models add manual features to the input graph and use the output of MPNN to produce pairwise representations. In contrast, others directly use manual features as pairwise representations. Though this simplification avoids applying a GNN to each link individually and thus improves scalability, these models still have much room for performance improvement due to the hand-crafted and unlearnable pairwise features. To upgrade performance while maintaining scalability, we propose Neural Common Neighbor (NCN), which uses learnable pairwise representations. To further boost NCN, we study the unobserved link problem. The incompleteness of the graph is ubiquitous and leads to distribution shifts between the training and test set, loss of common neighbor information, and performance degradation of models. Therefore, we propose two intervention methods: common neighbor completion and target link removal. Combining the two methods with NCN, we propose Neural Common Neighbor with Completion (NCNC). NCN and NCNC outperform recent strong baselines by large margins. NCNC achieves state-of-the-art performance in link prediction tasks. Our code is available at https://github.com/GraphPKU/NeuralCommonNeighbor.

Relational Language-Image Pre-training (RLIP) aims to align vision representations with relational texts, thereby advancing the capability of relational reasoning in computer vision tasks. However, hindered by the slow convergence of RLIPv1 architecture and the limited availability of existing scene graph data, scaling RLIPv1 is challenging. In this paper, we propose RLIPv2, a fast converging model that enables the scaling of relational pre-training to large-scale pseudo-labelled scene graph data. To enable fast scaling, RLIPv2 introduces Asymmetric Language-Image Fusion (ALIF), a mechanism that facilitates earlier and deeper gated cross-modal fusion with sparsified language encoding layers. ALIF leads to comparable or better performance than RLIPv1 in a fraction of the time for pre-training and fine-tuning. To obtain scene graph data at scale, we extend object detection datasets with free-form relation labels by introducing a captioner (e.g., BLIP) and a designed Relation Tagger. The Relation Tagger assigns BLIP-generated relation texts to region pairs, thus enabling larger-scale relational pre-training. Through extensive experiments conducted on Human-Object Interaction Detection and Scene Graph Generation, RLIPv2 shows state-of-the-art performance on three benchmarks under fully-finetuning, few-shot and zero-shot settings. Notably, the largest RLIPv2 achieves 23.29mAP on HICO-DET without any fine-tuning, yields 32.22mAP with just 1% data and yields 45.09mAP with 100% data. Code and models are publicly available at https://github.com/JacobYuan7/RLIPv2.

Understanding the relations between entities denoted by NPs in a text is a critical part of human-like natural language understanding. However, only a fraction of such relations is covered by standard NLP tasks and benchmarks nowadays. In this work, we propose a novel task termed text-based NP enrichment (TNE), in which we aim to enrich each NP in a text with all the preposition-mediated relations -- either explicit or implicit -- that hold between it and other NPs in the text. The relations are represented as triplets, each denoted by two NPs related via a preposition. Humans recover such relations seamlessly, while current state-of-the-art models struggle with them due to the implicit nature of the problem. We build the first large-scale dataset for the problem, provide the formal framing and scope of annotation, analyze the data, and report the results of fine-tuned language models on the task, demonstrating the challenge it poses to current technology. A webpage with a data-exploration UI, a demo, and links to the code, models, and leaderboard, to foster further research into this challenging problem can be found at: yanaiela.github.io/TNE/.

We study the problem of learning representations of entities and relations in knowledge graphs for predicting missing links. The success of such a task heavily relies on the ability of modeling and inferring the patterns of (or between) the relations. In this paper, we present a new approach for knowledge graph embedding called RotatE, which is able to model and infer various relation patterns including: symmetry/antisymmetry, inversion, and composition. Specifically, the RotatE model defines each relation as a rotation from the source entity to the target entity in the complex vector space. In addition, we propose a novel self-adversarial negative sampling technique for efficiently and effectively training the RotatE model. Experimental results on multiple benchmark knowledge graphs show that the proposed RotatE model is not only scalable, but also able to infer and model various relation patterns and significantly outperform existing state-of-the-art models for link prediction.

Large language models have been extensively studied as neural knowledge bases for their knowledge access, editability, reasoning, and explainability. However, few works focus on the structural patterns of their knowledge. Motivated by this gap, we investigate these structural patterns from a graph perspective. We quantify the knowledge of LLMs at both the triplet and entity levels, and analyze how it relates to graph structural properties such as node degree. Furthermore, we uncover the knowledge homophily, where topologically close entities exhibit similar levels of knowledgeability, which further motivates us to develop graph machine learning models to estimate entity knowledge based on its local neighbors. This model further enables valuable knowledge checking by selecting triplets less known to LLMs. Empirical results show that using selected triplets for fine-tuning leads to superior performance.

Recent advances in large language models (LLMs) and multi-agent systems have demonstrated remarkable capabilities in complex problem-solving tasks such as deep research, vibe coding, and mathematical reasoning. However, most existing multi-agent systems are built upon manual prompt/workflow engineering with sophisticated agent frameworks, making them computationally inefficient, less capable, and can not benefit from data-centric learning. In this work, we introduce Chain-of-Agents (CoA), a novel paradigm of LLM reasoning that enables native end-to-end complex problem-solving in the same way as a multi-agent system (i.e., multi-turn problem solving with multiple tools and multiple agents) within one model. In chain-of-agents problem-solving, the model dynamically activates different tool agents and role-playing agents to simulate multi-agent collaboration in an end-to-end fashion. To elicit end-to-end chain-of-agents problem-solving abilities in LLMs, we introduce a multi-agent distillation framework to distill state-of-the-art multi-agent systems into chain-of-agents trajectories for agentic supervised fine-tuning. We then use agentic reinforcement learning on verifiable agentic tasks to further improve the models' capabilities on chain-of-agents problem solving. We call the resulting models Agent Foundation Models (AFMs). Our empirical studies demonstrate that AFM establishes new state-of-the-art performance across diverse benchmarks in both web agent and code agent settings. We make the entire research, including the model weights, code for training and evaluation, and the training data, fully open-sourced, which offers a solid starting point for future research on agent models and agentic RL.

Most state-of-the-art Visual-Language Models (VLMs) are seemingly limited by the linear separabilty of their visual embeddings on abstract reasoning tasks. This work investigates this "linear reasoning bottleneck" by introducing the Linear Separability Ceiling (LSC), the performance of a simple linear classifier on a VLM's visual embeddings. We find this bottleneck is widespread and stems not from poor perception, but from failures in the language model's reasoning pathways. We demonstrate this is a solvable alignment issue. The required intervention, however, is task-dependent: activating existing pathways suffices for semantic concepts, while complex relational reasoning requires adapting core model weights. Using postfix tuning as a methodological control, we find strong evidence for powerful, dormant reasoning pathways within VLMs. However, for complex relational tasks requiring deeper adaptation, explicitly improving representation quality causes the model to fail on new prompt formats despite its embeddings remaining well separated. Ultimately, this work provides a new lens for VLM analysis, showing that robust reasoning is a matter of targeted alignment, not simply improved representation learning.

Knowledge graphs (KGs) are crucial in the field of artificial intelligence and are widely applied in downstream tasks, such as enhancing Question Answering (QA) systems. The construction of KGs typically requires significant effort from domain experts. Recently, Large Language Models (LLMs) have been used for knowledge graph construction (KGC), however, most existing approaches focus on a local perspective, extracting knowledge triplets from individual sentences or documents. In this work, we introduce Graphusion, a zero-shot KGC framework from free text. The core fusion module provides a global view of triplets, incorporating entity merging, conflict resolution, and novel triplet discovery. We showcase how Graphusion could be applied to the natural language processing (NLP) domain and validate it in the educational scenario. Specifically, we introduce TutorQA, a new expert-verified benchmark for graph reasoning and QA, comprising six tasks and a total of 1,200 QA pairs. Our evaluation demonstrates that Graphusion surpasses supervised baselines by up to 10% in accuracy on link prediction. Additionally, it achieves average scores of 2.92 and 2.37 out of 3 in human evaluations for concept entity extraction and relation recognition, respectively.

In view of the problem that each subchain in the chain-of-model (CoM) relies only on the information of the previous subchain and may lose long-range dependencies due to the causal mask blocking the global context flow between multi-level subchains, this work proposes a graph of causal evolution (GoCE). Its core principle is to map the implicit token representation into a differentiable and sparse causal adjacency matrix, then permeate causal constraints through each layer of calculation using causal-masked attention and causal-MoE. By combining intervention consistency loss test and self-evolution gate, the dynamic balance between causal structure learning and adaptive updating of transformer architecture is realized. The researcher built experimental environments in sandboxes built with Claude Sonnet 4, o4-mini-high, and DeepSeek R1 respectively with the transformer variant architecture introduced in GoCE. It is evaluated on publicly available datasets including CLUTRR, CLADDER, EX-FEVER, and CausalQA and compared with the baseline LLMs. The finding proves that GoCE strengthens the transformer's ability to capture long-range causal dependencies, while the ability to self-evolve is improved. It not only surpasses the design of CoM in terms of design principles, but also provides experience for future research on causal learning and continuous adaptive improvement.