Graph Neural Networks (GNNs) have shown remarkable capabilities in mining graph-structured data. However, conventional GNNs often encounter various fairness issues, such as predictions with prejudices when dealing with nodes with different sensitive attributes like genders or races, or significantly different prediction performance when facing nodes with different degrees. Existing studies mainly focus on addressing one specific fairness issue, neglecting the fact that a GNN model may face multiple unfairness simultaneously in reality, and addressing only one specific fairness may still leave the GNNs in an unfair status. In this paper, we focus on achieving multiple fairness on GNNs simultaneously, which we call hybrid fairness. To achieve this objective, we propose a novel GNN framework called LibraGNN. Specifically, we adopt a multi-teacher knowledge distillation training framework that successfully unifies the learning paradigms for multiple fairness. To ensure LibraGNN strikes a better trade-off among different fairness, we transform the multi-teacher knowledge distillation into a multi-objective optimization problem and further employ Pareto efficiency for optimization guidance. Finally, a controllable preference vector is introduced to assist LibraGNN in modulating its capability towards various forms of fairness, thereby achieving controllable hybrid fairness. Extensive experiments on three real-world datasets demonstrate the effectiveness of LibraGNN on both hybrid fairness and utility.
论文检索
输入标题、作者或关键词，从 2,893 篇学术成果中精准定位
Graph Neural Networks (GNNs) have shown promising results in modeling graphs in various tasks. The training of GNNs, especially on specialized tasks such as bioinformatics, demands extensive expert annotations, which are expensive and usually contain sensitive information of data providers. The trained GNN models are often shared for deployment in the real world. As neural networks can memorize the training samples, the model parameters of GNNs have a high risk of leaking private training data. Our theoretical analysis shows the strong connections between trained GNN parameters and the training graphs used, confirming the training graph leakage issue. However, explorations into training data leakage from trained GNNs are rather limited. Therefore, we investigate a novel problem of stealing graphs from trained GNNs. To obtain high-quality graphs that resemble the target training set, a graph diffusion model with diffusion noise optimization is deployed as a graph generator. Furthermore, we propose a selection method that effectively leverages GNN model parameters to identify training graphs from samples generated by the graph diffusion model. Extensive experiments on real-world datasets demonstrate the effectiveness of the proposed framework in stealing training graphs from the trained GNN.
Analyzing the health status of patients based on Electronic Health Records (EHR) is a fundamental research problem in medical informatics. The presence of extensive missing values in EHR makes it challenging for deep neural networks (DNNs) to directly model the patient's health status. Existing DNNs training protocols, including Impute-then-Regress Procedure and Jointly Optimizing of Impute-n-Regress Procedure, require the additional imputation models to reconstruction missing values. However, Impute-then-Regress Procedure introduces the risk of injecting imputed, non-real data into downstream clinical prediction tasks, resulting in power loss, biased estimation, and poorly performing models, while Jointly Optimizing of Impute-n-Regress Procedure is also difficult to generalize due to the complex optimization space and demanding data requirements. Inspired by the recent advanced literature of learnable prompt in the fields of NLP and CV, in this work, we rethought the necessity of the imputation model in downstream clinical tasks, and proposed Learnable Prompt as Pseudo-Imputation (PAI) as a new training protocol to assist EHR analysis. PAI no longer introduces any imputed data but constructs a learnable prompt to model the implicit preferences of the downstream model for missing values, resulting in a significant performance improvement for all state-of-the-arts EHR analysis models on four real-world datasets across two clinical prediction tasks. Further experimental analysis indicates that PAI exhibits higher robustness in situations of data insufficiency and high missing rates. More importantly, as a plug-and-play protocol, PAI can be easily integrated into any existing or even imperceptible future EHR analysis models. The code of this work is deployed publicly available at https://github.com/MrBlankness/PAI to help the research community reproduce the results and assist the EHR analysis tasks.
Global placement, a critical step in designing the physical layout of computer chips, is essential to optimize chip performance. Prior global placement methods optimize each circuit design individually from scratch. Their neglect of transferable knowledge limits solution efficiency and chip performance as circuit complexity drastically increases. This study presents TransPlace, a global placement framework that learns to place millions of mixed-size cells in continuous space. TransPlace introduces i) Netlist Graph to efficiently model netlist topology, ii) Cell-flow and relative position encoding to learn SE(2)-invariant representation, iii) a tailored graph neural network architecture for informed parameterization of placement knowledge, and iv) a two-stage strategy for coarse-to-fine placement. Compared to state-of-the-art placement methods, TransPlace-trained on a few high-quality placements-can place unseen circuits with 1.2x speedup while reducing congestion by 30%, timing by 9%, and wirelength by 5%.
Scalable Primal Heuristics Using Graph Neural Networks for Combinatorial Optimization (Abstract Reprint)
PDF ↗By examining the patterns of solutions obtained for various instances, one can gain insights into the structure and behavior of combinatorial optimization (CO) problems and develop efficient algorithms for solving them. Machine learning techniques, especially Graph Neural Networks (GNNs), have shown promise in parametrizing and automating this laborious design process. The inductive bias of GNNs allows for learning solutions to mixed-integer programming (MIP) formulations of constrained CO problems with a relational representation of decision variables and constraints. The trained GNNs can be leveraged with primal heuristics to construct high-quality feasible solutions to CO problems quickly. However, current GNN-based end-to-end learning approaches have limitations for scalable training and generalization on larger-scale instances; therefore, they have been mostly evaluated over small-scale instances. Addressing this issue, our study builds on supervised learning of optimal solutions to the downscaled instances of given large-scale CO problems. We introduce several improvements on a recent GNN model for CO to generalize on instances of a larger scale than those used in training. We also propose a two-stage primal heuristic strategy based on uncertainty-quantification to automatically configure how solution search relies on the predicted decision values. Our models can generalize on 16x upscaled instances of commonly benchmarked five CO problems. Unlike the regressive performance of existing GNN-based CO approaches as the scale of problems increases, the CO pipelines using our models offer an incremental performance improvement relative to CPLEX. The proposed uncertainty-based primal heuristics provide 6-75% better optimality gap values and 45-99% better primal gap values for the 16x upscaled instances and brings immense speedup to obtain high-quality solutions. All these gains are achieved through a computationally efficient modeling approach without sacrificing solution quality.
Efficient Rectification of Neuro-Symbolic Reasoning Inconsistencies by Abductive Reflection (Extended Abstract)
PDF ↗Neuro-Symbolic (NeSy) AI could be regarded as an analogy to human dual-process cognition, modeling the intuitive System 1 with neural networks and the algorithmic System 2 with symbolic reasoning. However, for complex learning targets, NeSy systems often generate outputs inconsistent with domain knowledge. Inspired by the human Cognitive Reflection, which promptly detects errors in our intuitive response and revises them by invoking the System 2 reasoning, we propose to improve NeSy systems by introducing Abductive Reflection (ABL-Refl) based on the Abductive Learning (ABL) framework. ABL-Refl leverages domain knowledge to abduce a reflection vector during training, which can then flag potential errors in the neural network outputs and invoke abduction to rectify them and generate consistent outputs during inference. Experiments show that ABL-Refl outperforms state-of-the-art NeSy methods, achieving excellent accuracy with fewer training resources and enhanced efficiency.
Graph neural networks (GNNs) are powerful deep learning models for graph-structured data, demonstrating remarkable success across diverse domains. Recently, the database (DB) community has increasingly recognized the potentiality of GNNs, prompting a surge of researches focusing on improving database systems through GNN-based approaches. However, despite notable advances, There is a lack of a comprehensive review and understanding of how GNNs could improve DB systems. Therefore, this survey aims to bridge this gap by providing a structured and in-depth overview of GNNs for DB systems. Specifically, we propose a new taxonomy that classifies existing methods into two key categories: (1) Relational Databases, which includes tasks like performance prediction, query optimization, and Text-to-SQL, and (2) Graph Databases, addressing challenges like efficient graph query processing and graph similarity computation. We systematically review key methods in each category, highlighting their contributions and practical implications. Finally, we suggest promising avenues for integrating GNNs into Database systems.
Neurosymbolic AI combines neural network adaptability with symbolic reasoning, promising an approach to address the complex regulatory, operational, and safety challenges in Advanced Air Mobility (AAM). This survey reviews its applications across key AAM domains such as demand forecasting, aircraft design, and real-time air traffic management. Our analysis reveals a fragmented research landscape where methodologies, including Neurosymbolic Reinforcement Learning, have shown potential for dynamic optimization but still face hurdles in scalability, robustness, and compliance with aviation standards. We classify current advancements, present relevant case studies, and outline future research directions aimed at integrating these approaches into reliable, transparent AAM systems. By linking advanced AI techniques with AAM’s operational demands, this work provides a concise roadmap for researchers and practitioners developing next-generation air mobility solutions.
Enhancing Portfolio Optimization via Heuristic-Guided Inverse Reinforcement Learning with Multi-Objective Reward and Graph-based Policy Learning
PDF ↗Portfolio optimization encounters persistent challenges in adapting to dynamic markets due to static assumptions and high-dimensional decision spaces. Although reinforcement learning (RL) has emerged as a potential solution, conventional reward engineering often fails to capture complex market dynamics. Recent advances in deep RL and graph neural networks have attempted to enhance market microstructure modeling. However, these methods still struggle with the systematic integration of financial knowledge. To address the above issues, we propose a novel heuristic-guided inverse reinforcement learning framework for portfolio optimization. Specifically, our framework provides an interpretable expert strategy generation mechanism that takes into account sector diversification and correlation constraints. Then, a multi-objective reward optimization method is adopted to adaptively strike a balance between returns and risks. Furthermore, it also utilizes heterogeneous graph policy learning with hierarchical attention mechanisms to explicitly model inter-stock relationships. Finally, we conduct extensive experiments on real-world financial market data to demonstrate that our framework outperforms several state-of-the-art deep learning and RL baselines in terms of risk-adjusted returns. We provide case studies to showcase the ability of our framework to balance return maximization and risk containment. Our code is publicly available at https://github.com/ChloeWenyiZhang/SmartFolio/.
Logic synthesis is a crucial phase in the circuit design process, responsible for transforming hardware description language (HDL) designs into optimized netlists. However, traditional logic synthesis methods are computationally intensive, restricting their iterative use in refining chip designs. Recent advancements in large language models (LLMs), particularly those fine-tuned on programming languages, present a promising alternative. This work proposes augmenting LLMs with predictor networks trained to estimate circuit quality directly from HDL code. To enhance performance, the model is regularized using embeddings from graph neural networks (GNNs) trained on Look-Up Table (LUT) graphs, thereby incorporating lower-level circuit insights. The proposed method demonstrates superior performance compared to existing graph-based RTL-level estimation techniques on the established benchmark OpenABCD, while providing instant feedback on HDL code quality.
The outbreak of pandemic has a huge impact on production and consumption in the business world, especially for the retail sector. As a crucial component of decision-support technology in the retail industry, sales forecasting is significant for production planning and optimizing the supply of essential goods during the pandemic. However, due to the irregular fluctuation pattern caused by uncertainty and the complex temporal correlation between multiple covariates and sales, there is still no effective approach for sales forecasting in this extreme event. To fill this gap, we propose a Pandemic-Compatible Attentive Network (PCAN) for retail sales forecasting. Specifically, to capture the irregular fluctuation patterns from the sales series, we design a fluctuation attention mechanism based on association discrepancy in the time series. Then, a parallel attention module is developed to learn the complex relationship between target sales and various dynamic influence factors in a decoupled manner. Finally, we introduce a novel rectification decoding strategy to indicate fluctuation points in prediction. By evaluating PCAN on four real-world retail food datasets from the SF Express international supply chain system, the results show that our method achieves superior performance over the existing state-of-the-art baselines. The model has been deployed in the supply chain system as a fundamental component to serve a world-leading food retailer.
Inferring Causal Protein Signaling Networks with Reinforcement Learning via Artificial Bee Colony Neural Architecture Search
PDF ↗Inferring causal protein signaling networks from human immune system cellular data is an important approach to reveal underlying tissue signaling biology and dysfunction in diseased cells. In recent years, reinforcement learning (RL) methods have shown excellent performance in the field of causal protein signaling network inference. However, the complexity of RL models and the need for manual hyperparameter tuning can hinder performance. In this paper, we propose a actor-critic RL model via artificial bee colony (ABC) neural architecture search, called ABCNAS-RL. Specifically, the entire method is divided into two phases: ABC neural architecture search and actor-critic RL search. In phase one, we represent each bee as a set of hyperparameter, utilizing the ABC algorithm searching for optimal hyperparameters of the actor-critic RL model on the training set. In phase two, we use the actor-critic RL model to infer the causal protein signaling network on the test set. The actor network consists of an encoder-decoder architecture, composed of a transformer and a bidirectional gated recurrent unit (BiGRU) with an integrated attention mechanism. The critic network consists of a fully connected neural network that estimates the output state of the actor network. By maximizing cumulative rewards, we ultimately derive the causal protein signaling network. Extensive experimental results on simulated and real datasets verify that ABCNAS-RL outperforms the comparison methods and has superior performance.
X-KAN: Optimizing Local Kolmogorov-Arnold Networks via Evolutionary Rule-Based Machine Learning
PDF ↗Function approximation is a critical task in various fields. However, existing neural network approaches struggle with locally complex or discontinuous functions due to their reliance on a single global model covering the entire problem space. We propose X-KAN, a novel method that optimizes multiple local Kolmogorov-Arnold Networks (KANs) through an evolutionary rule-based machine learning framework called XCSF. X-KAN combines KAN's high expressiveness with XCSF's adaptive partitioning capability by implementing local KAN models as rule consequents and defining local regions via rule antecedents. Our experimental results on artificial test functions and real-world datasets demonstrate that X-KAN significantly outperforms conventional methods, including XCSF, Multi-Layer Perceptron, and KAN, in terms of approximation accuracy. Notably, X-KAN effectively handles functions with locally complex or discontinuous structures that are challenging for conventional KAN, using a compact set of rules (average 7.2 rules). These results validate the effectiveness of using KAN as a local model in XCSF, which evaluates the rule fitness based on both accuracy and generality. Our X-KAN implementation and an extended version of this paper, including appendices, are available at https://doi.org/10.48550/arXiv.2505.14273.
DGL: Dynamic Global-Local Information Aggregation for Scalable VRP Generalization with Self-Improvement Learning
PDF ↗The Vehicle Routing Problem (VRP) is a critical combinatorial optimization problem with wide-reaching real-world applications, particularly in logistics, transportation. While neural network-based VRP solvers have shown impressive results on test instances similar to training data, their performance often degrades when faced with varying scales and unseen distributions, limiting their practical applicability. To overcome these limitations, we introduce DGL (Dynamic Global-Local Information Aggregation), a novel model that combines global and local information to effectively solve VRPs. DGL dynamically adjusts local node selections within a localized range, capturing local invariance across problems of different scales and distributions, thereby enhancing generalization. At the same time, DGL integrates global context into the decision-making process, providing richer information for more informed decisions. Additionally, we propose a replacement-based self-improvement learning framework that leverages data augmentation and random replacement techniques, further enhancing DGL's robustness. Extensive experiments on synthetic datasets, benchmark datasets, and real-world country map instances demonstrate that DGL achieves state-of-the-art performance, particularly in generalizing to large-scale VRPs and real-world scenarios. These results showcase DGL's effectiveness in solving complex, realistic optimization challenges and highlight its potential for practical applications.
Single-cell RNA sequencing (scRNA-seq) reveals cell heterogeneity, with cell clustering playing a key role in identifying cell types and marker genes. Recent advances, especially graph neural networks (GNNs)-based methods, have significantly improved clustering performance. However, the analysis of scRNA-seq data remains challenging due to noise, sparsity, and high dimensionality. Compounding these challenges, GNNs often suffer from over-smoothing, limiting their ability to capture complex biological information. In response, we propose scSiameseClu, a novel Siamese Clustering framework for interpreting single-cell RNA-seq data, comprising of 3 key steps: (1) Dual Augmentation Module, which applies biologically informed perturbations to the gene expression matrix and cell graph relationships to enhance representation robustness; (2) Siamese Fusion Module, which combines cross-correlation refinement and adaptive information fusion to capture complex cellular relationships while mitigating over-smoothing; and (3) Optimal Transport Clustering, which utilizes Sinkhorn distance to efficiently align cluster assignments with predefined proportions while maintaining balance. Comprehensive evaluations on seven real-world datasets demonstrate that scSiameseClu outperforms state-of-the-art methods in single-cell clustering, cell type annotation, and cell type classification, providing a powerful tool for scRNA-seq data interpretation.
Financial fraud detection is critical for market transparency and regulatory compliance. Existing methods often ignore the temporal patterns in financial data, which are essential for understanding dynamic financial behaviors and detecting fraud. Moreover, they also treat companies as independent entities, overlooking the valuable interrelationships. To address these issues, we propose ACRF-RNN, a Recurrent Neural Network (RNN) with Attention-based Conditional Random Field (CRF) for fraud detection. Specifically, we use an RNN with a sliding window to capture temporal dependencies from historical data, and an attention-based CRF feature transformer to model inter-company relationships. This transforms raw financial data into optimized features, fed into a multi-layer perceptron for classification. Besides, we also use the focal loss to alleviate the class imbalance problem caused by rare fraudulent cases. This work presents a novel real-world dataset to evaluate the performance of ACRF-RNN. Extensive experiments show that ACRF-RNN outperforms the state-of-the-art methods by 15.28% in KS and 4.04% in Recall. Data and code are available at: https://github.com/XNetLab/ACRF-RNN.git.
Recent advancements in radiology report generation have utilized deep neural networks such as CNNs and Transformers, achieving notable improvements in generating accurate and detailed reports. However, their practical adoption is hindered by the challenge of balancing global dependency modeling with computational efficiency. The state space model, particularly its enhanced variant Mamba, offers promising linear-complexity solutions for long-range dependency modeling. Despite its strengths, Mamba’s fixed positional encoding limits its ability to effectively capture complex spatial dependencies. To address this gap, we propose RRG-Mamba, an advanced framework for efficient radiology report generation. Within the RRGMamba, we enhance the vanilla Mamba by integrating rotary position encoding (RoPE), enabling dynamic modeling of relative positional information in visual feature sequences. Furthermore, we design a global dependency learning module to optimize long-range visual feature sequence modeling. Extensive experiments on publicly available datasets, including IU X-Ray and MIMIC-CXR, demonstrate that RRG-Mamba achieves a 3.7% improvement in BLEU-4 score over existing models, along with significant gains in computational and memory efficiency. Our code is available at https://github.com/Eleanorhxd/RRG-Mamba.
Advancing Community Detection with Graph Convolutional Neural Networks: Bridging Topological and Attributive Cohesion
PDF ↗Community detection, a vital technology for real-world applications, uncovers cohesive node groups (communities) by leveraging both topological and attribute similarities in social networks. However, existing Graph Convolutional Networks (GCNs) trained to maximize modularity often converge to suboptimal solutions. Additionally, directly using human-labeled communities for training can undermine topological cohesiveness by grouping disconnected nodes based solely on node attributes. We address these issues by proposing a novel Topological and Attributive Similarity-based Community detection (TAS-Com) method. TAS-Com introduces a novel loss function that exploits the highly effective and scalable Leiden algorithm to detect community structures with global optimal modularity. Leiden is further utilized to refine human-labeled communities to ensure connectivity within each community, enabling TAS-Com to detect community structures with desirable trade-offs between modularity and compliance with human labels. Experimental results on multiple benchmark networks confirm that TAS-Com can significantly outperform several state-of-the-art algorithms.
Physics-informed neural networks (PINNs) have emerged as a new learning paradigm for solving partial differential equations (PDEs) by enforcing the constraints of physical equations, boundary conditions (BCs), and initial conditions (ICs) into the loss function. Despite their successes, vanilla PINNs still suffer from poor accuracy and slow convergence due to the intractable multi-objective optimization issue. In this paper, we propose a novel Dual-Balanced PINN (DB-PINN), which dynamically adjusts loss weights by integrating inter-balancing and intra-balancing to alleviate two imbalance issues in PINNs. Inter-balancing aims to mitigate the gradient imbalance between PDE residual loss and condition-fitting losses by determining an aggregated weight that offsets their gradient distribution discrepancies. Intra-balancing acts on condition-fitting losses to tackle the imbalance in fitting difficulty across diverse conditions. By evaluating the fitting difficulty based on the loss records, intra-balancing can allocate the aggregated weight proportionally to each condition loss according to its fitting difficulty level. We further introduce a robust weight update strategy to prevent abrupt spikes and arithmetic overflow in instantaneous weight values caused by large loss variances, enabling smooth weight updating and stable training. Extensive experiments demonstrate that DB-PINN achieves significantly superior performance than those popular gradient-based weighting methods in terms of convergence speed and prediction accuracy. Our code and supplementary material are available at https://github.com/chenhong-zhou/DualBalanced-PINNs.
Spatio-temporal time series (STTS) have been widely used in many applications. However, accurately forecasting STTS is challenging due to complex dynamic correlations in both time and space dimensions. Existing graph neural networks struggle to balance effectiveness and efficiency in modeling dynamic spatio-temporal relations. To address this problem, we propose the Dynamic Spatio-Temporal Stiefel Graph Neural Network (DST-SGNN) to efficiently process STTS. For DST-SGNN, we first introduce the novel Stiefel Graph Spectral Convolution (SGSC) and Stiefel Graph Fourier Transform (SGFT). The SGFT matrix in SGSC is constrained to lie on the Stiefel manifold, and SGSC can be regarded as a filtered graph spectral convolution. We also propose the Linear Dynamic Graph Optimization on Stiefel Manifold (LDGOSM), which can efficiently learn the SGFT matrix from the dynamic graph and significantly reduce the computational complexity. Finally, we propose a multi-layer SGSC (MSGSC) that efficiently captures complex spatio-temporal correlations. Extensive experiments on seven spatio-temporal datasets show that DST-SGNN outperforms state-of-the-art methods while maintaining relatively low computational costs.