Learning with relational and network-structured data is increasingly vital in sensitive domains where protecting the privacy of individual entities is paramount. Differential Privacy (DP) offers a principled approach for quantifying privacy risks, with DP-SGD emerging as a standard mechanism for private model training. However, directly applying DP-SGD to relational learning is challenging due to two key factors: (i) entities often participate in multiple relations, resulting in high and difficult-to-control sensitivity; and (ii) relational learning typically involves multi-stage, potentially coupled (interdependent) sampling procedures that make standard privacy amplification analyses inapplicable. This work presents a principled framework for relational learning with formal entity-level DP guarantees. We provide a rigorous sensitivity analysis and introduce an adaptive gradient clipping scheme that modulates clipping thresholds based on entity occurrence frequency. We also extend the privacy amplification results to a tractable subclass of coupled sampling, where the dependence arises only through sample sizes. These contributions lead to a tailored DP-SGD variant for relational data with provable privacy guarantees. Experiments on fine-tuning text encoders over text-attributed network-structured relational data demonstrate the strong utility-privacy trade-offs of our approach. Our code is available at https://github.com/Graph-COM/Node_DP.
Images usually convey richer detail than text, but often include redundant information which potentially downgrades multimodal reasoning performance. When faced with lengthy or complex messages, humans tend to employ abstract thinking to convert them into simple and concise abstracts. Inspired by this cognitive strategy, we introduce Visual Abstract Thinking (VAT), a novel thinking paradigm that prompts Multimodal Large Language Models (MLLMs) with visual abstract instead of explicit verbal thoughts or elaborate guidance, permitting a more concentrated visual reasoning mechanism. Explicit thinking, such as Chain-of-thought (CoT) or tool-augmented approaches, increases the complexity of reasoning process via inserting verbose intermediate steps, external knowledge or visual information. In contrast, VAT reduces redundant visual information and encourages models to focus their reasoning on more essential visual elements. Experimental results show that VAT consistently empowers different models, and achieves an average gain of 17% over GPT-4o baseline by employing diverse types of visual abstracts, demonstrating that VAT can enhance visual reasoning abilities for MLLMs regarding conceptual, structural and relational reasoning tasks. VAT is also compatible with CoT in knowledge-intensive multimodal reasoning tasks. These findings highlight the effectiveness of visual reasoning via abstract thinking and encourage further exploration of more diverse reasoning paradigms from the perspective of human cognition.
Few-Shot Relation Extraction (FSRE) remains a challenging task due to the scarcity of annotated data and the limited generalization capabilities of existing models. Although large language models (LLMs) have demonstrated potential in FSRE through in-context learning (ICL), their general-purpose training objectives often result in suboptimal performance for task-specific relation extraction. To overcome these challenges, we propose TKRE (Two-Stage Knowledge-Guided Pre-training for Relation Extraction), a novel framework that synergistically integrates LLMs with traditional relation extraction models, bridging generative and discriminative learning paradigms. TKRE introduces two key innovations: (1) leveraging LLMs to generate explanation-driven knowledge and schema-constrained synthetic data, addressing the issue of data scarcity; and (2) a two-stage pre-training strategy combining Masked Span Language Modeling (MSLM) and Span-Level Contrastive Learning (SCL) to enhance relational reasoning and generalization. Together, these components enable TKRE to effectively tackle FSRE tasks. Comprehensive experiments on benchmark datasets demonstrate the efficacy of TKRE, achieving new state-of-the-art performance in FSRE and underscoring its potential for broader application in low-resource scenarios. \footnote{The code and data are released on https://github.com/UESTC-GQJ/TKRE.
3D visual grounding aims to localize the unique target described by natural languages in 3D scenes. The significant gap between 3D and language modalities makes it a notable challenge to distinguish multiple similar objects through the described spatial relationships. Current methods attempt to achieve cross-modal understanding in complex scenes via a target-centered learning mechanism, ignoring the perception of referred objects. We propose a novel 2D-assisted 3D visual grounding framework that constructs semantic-spatial scene graphs with referred object discrimination for relationship perception. The framework incorporates a dual-branch visual encoder that utilizes 2D pre-trained attributes to guide the multi-modal object encoding. Furthermore, our cross-modal interaction module uses graph attention to facilitate relationship-oriented information fusion. The enhanced object representation and iterative relational learning enable the model to establish effective alignment between 3D vision and referential descriptions. Experimental results on the popular benchmarks demonstrate our superior performance compared to state-of-the-art methods, especially in addressing the challenges of multiple similar distractors.
Vessel Traffic Services (VTS) are essential for maritime safety and regulatory compliance through real-time traffic management. However, with increasing traffic complexity and the prevalence of heterogeneous, multimodal data, existing VTS systems face limitations in spatiotemporal reasoning and intuitive human interaction. In this work, we propose VTS-LLM Agent, the first domain-adaptive large LLM agent tailored for interactive decision support in VTS operations. We formalize risk-prone vessel identification as a knowledge-augmented Text-to-SQL task, combining structured vessel databases with external maritime knowledge. To support this, we construct a curated benchmark dataset consisting of a custom schema, domain-specific corpus, and a query-SQL test set in multiple linguistic styles. Our framework incorporates NER-based relational reasoning, agent-based domain knowledge injection, semantic algebra intermediate representation, and query rethink mechanisms to enhance domain grounding and context-aware understanding. Experimental results show that VTS-LLM outperforms both general-purpose and SQL-focused baselines under command-style, operational-style, and formal natural language queries, respectively. Moreover, our analysis provides the first empirical evidence that linguistic style variation introduces systematic performance challenges in Text-to-SQL modeling. This work lays the foundation for natural language interfaces in vessel traffic services and opens new opportunities for proactive, LLM-driven maritime real-time traffic management.
Recent advances in personalized MLLMs enable effective capture of user-specific concepts, supporting both recognition of personalized concepts and contextual captioning. However, humans typically explore and reason over relations among objects and individuals, transcending surface-level information to achieve more personalized and contextual understanding. To this end, existing methods may face three main limitations: Their training data lacks multi-object sets in which relations among objects are learnable. Building on the limited training data, their models overlook the relations between different personalized concepts and fail to reason over them. Their experiments mainly focus on a single personalized concept, where evaluations are limited to recognition and captioning tasks. To address the limitations, we present a new dataset named ReGraP, consisting of 120 sets of personalized knowledge. Each set includes images, KGs, and CoT QA pairs derived from the KGs, enabling more structured and sophisticated reasoning pathways. We propose ReGraP-LLaVA, an MLLM trained with the corresponding KGs and CoT QA pairs, where soft and hard graph prompting methods are designed to align KGs within the model's semantic space. We establish the ReGraP Benchmark, which contains diverse task types: multiple-choice, fill-in-the-blank, True/False, and descriptive questions in both open- and closed-ended settings. The proposed benchmark is designed to evaluate the relational reasoning and knowledge-connection capability of personalized MLLMs. We conduct experiments on the proposed ReGraP-LLaVA and other competitive MLLMs. Results show that the proposed model not only learns personalized knowledge but also performs relational reasoning in responses, achieving the SoTA performance compared with the competitive methods. All the codes and datasets are released at: https://github.com/xyfyyds/ReGraP.
TGraphX presents a novel paradigm in deep learning by unifying convolutional neural networks (CNNs) with graph neural networks (GNNs) to enhance visual reasoning tasks. Traditional CNNs excel at extracting rich spatial features from images but lack the inherent capability to model inter-object relationships. Conversely, conventional GNNs typically rely on flattened node features, thereby discarding vital spatial details. TGraphX overcomes these limitations by employing CNNs to generate multi-dimensional node features (e.g., (3*128*128) tensors) that preserve local spatial semantics. These spatially aware nodes participate in a graph where message passing is performed using 1*1 convolutions, which fuse adjacent features while maintaining their structure. Furthermore, a deep CNN aggregator with residual connections is used to robustly refine the fused messages, ensuring stable gradient flow and end-to-end trainability. Our approach not only bridges the gap between spatial feature extraction and relational reasoning but also demonstrates significant improvements in object detection refinement and ensemble reasoning.
Although foundation models (FMs) claim to be powerful, their generalization ability significantly decreases when faced with distribution shifts, weak supervision, or malicious attacks in the open world. On the other hand, most domain generalization or adversarial fine-tuning methods are task-related or model-specific, ignoring the universality in practical applications and the transferability between FMs. This paper delves into the problem of generalizing FMs to the out-of-domain data. We propose a novel framework, the Object-Concept-Relation Triad (OCRT), that enables FMs to extract sparse, high-level concepts and intricate relational structures from raw visual inputs. The key idea is to bind objects in visual scenes and a set of object-centric representations through unsupervised decoupling and iterative refinement. To be specific, we project the object-centric representations onto a semantic concept space that the model can readily interpret and estimate their importance to filter out irrelevant elements. Then, a concept-based graph, which has a flexible degree, is constructed to incorporate the set of concepts and their corresponding importance, enabling the extraction of high-order factors from informative concepts and facilitating relational reasoning among these concepts. Extensive experiments demonstrate that OCRT can substantially boost the generalizability and robustness of SAM and CLIP across multiple downstream tasks.
This paper presents a systematic study of the generalization of convolutional neural networks (CNNs) and humans on relational reasoning tasks with bar charts. We first revisit previous experiments on graphical perception and update the benchmark performance of CNNs. We then test the generalization performance of CNNs on a classic relational reasoning task: estimating bar length ratios in a bar chart, by progressively perturbing the standard visualizations. We further conduct a user study to compare the performance of CNNs and humans. Our results show that CNNs outperform humans only when the training and test data have the same visual encodings. Otherwise, they may perform worse. We also find that CNNs are sensitive to perturbations in various visual encodings, regardless of their relevance to the target bars. Yet, humans are mainly influenced by bar lengths. Our study suggests that robust relational reasoning with visualizations is challenging for CNNs. Improving CNNs' generalization performance may require training them to better recognize task-related visual properties.
Humans and other animals readily generalize abstract relations, such as recognizing constant in shape or color, whereas neural networks struggle. To investigate how neural networks generalize abstract relations, we introduce SimplifiedRPM, a novel benchmark for systematic evaluation. In parallel, we conduct human experiments to benchmark relational difficulty, enabling direct model-human comparisons. Testing four architectures--ResNet-50, Vision Transformer, Wild Relation Network, and Scattering Compositional Learner (SCL)--we find that SCL best aligns with human behavior and generalizes best. Building on a geometric theory of neural representations, we show representational geometries that predict generalization. Layer-wise analysis reveals distinct relational reasoning strategies across models and suggests a trade-off where unseen rule representations compress into training-shaped subspaces. Guided by our geometric perspective, we propose and evaluate SNRloss, a novel objective balancing representation geometry. Our findings offer geometric insights into how neural networks generalize abstract relations, paving the way for more human-like visual reasoning in AI.
Higher-order information is crucial for relational learning in many domains where relationships extend beyond pairwise interactions. Hypergraphs provide a natural framework for modeling such relationships, which has motivated recent extensions of graph neural net- work architectures to hypergraphs. However, comparisons between hypergraph architectures and standard graph-level models remain limited. In this work, we systematically evaluate a selection of hypergraph-level and graph-level architectures, to determine their effectiveness in leveraging higher-order information in relational learning. Our results show that graph-level architectures applied to hypergraph expansions often outperform hypergraph- level ones, even on inputs that are naturally parametrized as hypergraphs. As an alternative approach for leveraging higher-order information, we propose hypergraph-level encodings based on classical hypergraph characteristics. While these encodings do not significantly improve hypergraph architectures, they yield substantial performance gains when combined with graph-level models. Our theoretical analysis shows that hypergraph-level encodings provably increase the representational power of message-passing graph neural networks beyond that of their graph-level counterparts.
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.
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.
Molecular Relational Learning (MRL) is a rapidly growing field that focuses on understanding the interaction dynamics between molecules, which is crucial for applications ranging from catalyst engineering to drug discovery. Despite recent progress, earlier MRL approaches are limited to using only the 2D topological structure of molecules, as obtaining the 3D interaction geometry remains prohibitively expensive. This paper introduces a novel 3D geometric pre-training strategy for MRL (3DMRL) that incorporates a 3D virtual interaction environment, overcoming the limitations of costly traditional quantum mechanical calculation methods. With the constructed 3D virtual interaction environment, 3DMRL trains 2D MRL model to learn the overall 3D geometric information of molecular interaction through contrastive learning. Moreover, fine-grained interaction between molecules is learned through force prediction loss, which is crucial in understanding the wide range of molecular interaction processes. Extensive experiments on various tasks using real-world datasets, including out-of-distribution and extrapolation scenarios, demonstrate the effectiveness of 3DMRL, showing up to a 24.93\% improvement in performance across 40 tasks.
Modern transformer-based encoder-decoder architectures struggle with reasoning tasks due to their inability to effectively extract relational information between input objects (data/tokens). Recent work introduced the Abstractor module, embedded between transformer layers, to address this gap. However, the Abstractor layer while excelling at capturing relational information (pure relational reasoning), faces challenges in tasks that require both object and relational-level reasoning (partial relational reasoning). To address this, we propose RESOLVE, a neuro-vector symbolic architecture that combines object-level features with relational representations in high-dimensional spaces, using fast and efficient operations such as bundling (summation) and binding (Hadamard product) allowing both object-level features and relational representations to coexist within the same structure without interfering with one another. RESOLVE is driven by a novel attention mechanism that operates in a bipolar high dimensional space, allowing fast attention score computation compared to the state-of-the-art. By leveraging this design, the model achieves both low compute latency and memory efficiency. RESOLVE also offers better generalizability while achieving higher accuracy in purely relational reasoning tasks such as sorting as well as partial relational reasoning tasks such as math problem-solving compared to state-of-the-art methods.
Molecular relational learning (MRL) is crucial for understanding the interaction behaviors between molecular pairs, a critical aspect of drug discovery and development. However, the large feasible model space of MRL poses significant challenges to benchmarking, and existing MRL frameworks face limitations in flexibility and scope. To address these challenges, avoid repetitive coding efforts, and ensure fair comparison of models, we introduce FlexMol, a comprehensive toolkit designed to facilitate the construction and evaluation of diverse model architectures across various datasets and performance metrics. FlexMol offers a robust suite of preset model components, including 16 drug encoders, 13 protein sequence encoders, 9 protein structure encoders, and 7 interaction layers. With its easy-to-use API and flexibility, FlexMol supports the dynamic construction of over 70, 000 distinct combinations of model architectures. Additionally, we provide detailed benchmark results and code examples to demonstrate FlexMol's effectiveness in simplifying and standardizing MRL model development and comparison.
Graphs offer unique insights into relationships and interactions between entities, complementing data modalities like text, images, and videos. By incorporating relational information from graph data, AI models can extend their capabilities beyond traditional tasks. However, relational data in sensitive domains such as finance and healthcare often contain private information, making privacy preservation crucial. Existing privacy-preserving methods, such as DP-SGD, which rely on gradient decoupling assumptions, are not well-suited for relational learning due to the inherent dependencies between coupled training samples. To address this challenge, we propose a privacy-preserving relational learning pipeline that decouples dependencies in sampled relations during training, ensuring differential privacy through a tailored application of DP-SGD. We apply this method to fine-tune large language models (LLMs) on sensitive graph data, and tackle the associated computational complexities. Our approach is evaluated on LLMs of varying sizes (e.g., BERT, Llama2) using real-world relational data from four text-attributed graphs. The results demonstrate significant improvements in relational learning tasks, all while maintaining robust privacy guarantees during training. Additionally, we explore the trade-offs between privacy, utility, and computational efficiency, offering insights into the practical deployment of our approach. Code is available at https://github.com/Graph-COM/PvGaLM.
We address the fundamental task of inferring cross-document coreference and hierarchy in scientific texts, which has important applications in knowledge graph construction, search, recommendation and discovery. LLMs can struggle when faced with many long-tail technical concepts with nuanced variations. We present a novel method which generates context-dependent definitions of concept mentions by retrieving full-text literature, and uses the definitions to enhance detection of cross-document relations. We further generate relational definitions, which describe how two concept mentions are related or different, and design an efficient re-ranking approach to address the combinatorial explosion involved in inferring links across papers. In both fine-tuning and in-context learning settings we achieve large gains in performance. We provide analysis of generated definitions, shedding light on the relational reasoning ability of LLMs over fine-grained scientific concepts.
Modeling spatiotemporal interactions in multivariate time series is key to their effective processing, but challenging because of their irregular and often unknown structure. Statistical properties of the data provide useful biases to model interdependencies and are leveraged by correlation and covariance-based networks as well as by processing pipelines relying on principal component analysis (PCA). However, PCA and its temporal extensions suffer instabilities in the covariance eigenvectors when the corresponding eigenvalues are close to each other, making their application to dynamic and streaming data settings challenging. To address these issues, we exploit the analogy between PCA and graph convolutional filters to introduce the SpatioTemporal coVariance Neural Network (STVNN), a relational learning model that operates on the sample covariance matrix of the time series and leverages joint spatiotemporal convolutions to model the data. To account for the streaming and non-stationary setting, we consider an online update of the parameters and sample covariance matrix. We prove the STVNN is stable to the uncertainties introduced by these online estimations, thus improving over temporal PCA-based methods. Experimental results corroborate our theoretical findings and show that STVNN is competitive for multivariate time series processing, it adapts to changes in the data distribution, and it is orders of magnitude more stable than online temporal PCA.
Few-shot Knowledge Graph (KG) Relational Reasoning aims to predict unseen triplets (i.e., query triplets) for rare relations in KGs, given only several triplets of these relations as references (i.e., support triplets). This task has gained significant traction due to the widespread use of knowledge graphs in various natural language processing applications. Previous approaches have utilized meta-training methods and manually constructed meta-relation sets to tackle this task. Recent efforts have focused on edge-mask-based methods, which exploit the structure of the contextualized graphs of target triplets (i.e., a subgraph containing relevant triplets in the KG). However, existing edge-mask-based methods have limitations in extracting insufficient information from KG and are highly influenced by spurious information in KG. To overcome these challenges, we propose SAFER (Subgraph Adaptation for Few-shot Relational Reasoning), a novel approach that effectively adapts the information in contextualized graphs to various subgraphs generated from support and query triplets to perform the prediction. Specifically, SAFER enables the extraction of more comprehensive information from support triplets while minimizing the impact of spurious information when predicting query triplets. Experimental results on three prevalent datasets demonstrate the superiority of our proposed framework SAFER.