graph neural networks

基于图的动态拓扑结构优化算法

This paper introduces a novel dynamic topology optimization algorithm based on graph neural networks (GNNs). Traditional topology optimization methods are often static and require manual parameter tuning. Our algorithm automatically adjusts the topology structure based on the system's inherent properties, offering significant improvements in efficiency and robustness. We propose a framework that leverages graph representations to capture the system's topology, enabling a more adaptable and efficient optimization process. This work addresses a critical limitation of existing methods by providing a dynamic and intelligent approach to topology design. The core mechanism centers around utilizing GNNs to represent and manipulate the topology, resulting in optimized solutions with enhanced adaptability. We present a comprehensive analysis of the algorithm's performance, including experimental results demonstrating its effectiveness across various topology configurations.

基于自适应图神经网络的动态量子算法

This paper presents a novel dynamic quantum algorithm leveraging self-adaptive graph neural networks (S-GNNs). Traditional quantum algorithms often rely on static parameter settings, limiting their adaptability to complex input data. Our approach introduces a dynamically adjusting S-GNN that automatically adjusts the connection weights and neuron counts, enabling more efficient quantum computation. We demonstrate the algorithm's effectiveness through a series of benchmark tests, highlighting its ability to navigate intricate quantum circuits and achieve improved performance compared to existing methods. The core mechanism centers on a feedback loop that continuously refines the network based on the input, optimizing for a specific quantum circuit's properties. This contributes to a significant advancement in quantum algorithm design and optimization.

基于图的自适应量子拓扑优化

The development of quantum information processing has spurred significant research into quantum topology, offering the potential for novel quantum algorithms and devices. However, designing and optimizing quantum circuits with complex topologies remains a challenging task. This paper proposes a novel algorithm, "基于图的自适应量子拓扑优化", that leverages graph neural networks (GNNs) to dynamically adjust quantum topology during optimization. We demonstrate the effectiveness of this approach through the optimization of a specific quantum circuit, showcasing improved convergence and efficiency compared to traditional methods. This work introduces a framework that intelligently refines quantum states based on the underlying topology, addressing a key limitation of existing approaches.

CAUSTIC: conformation-aware uncertainty and shift prediction from protein conformer ensembles

CAUSTIC is a PaiNN equivariant graph neural network that predicts protein backbone NMR chemical shifts (H, HA, N, CA, CB, C') with calibrated uncertainties from PDB, mmCIF or AlphaFold structures. This record archives the source code of the caustic-nmr Python package together with the bundled ONNX model weights and post-prediction calibrator. Code is MIT-licensed; the model weights and calibrator are CC BY 4.0 (see LICENSE-WEIGHTS). Method, data, benchmark protocol and limitations are documented in the repository under docs/.

基于图神经网络的程序代码语义理解与重构

This paper proposes a novel approach to program code semantic understanding and reconstruction leveraging Graph Neural Networks (GNNs). The core idea is to directly learn semantic relationships within program code by representing it as a graph structure. Nodes in the graph represent code elements such as functions, variables, and statements, while edges represent the semantic relationships between them, such as call relationships and dependencies. The GNN learns node and edge features from this graph structure, enabling automated code understanding, reconstruction, and optimization. Traditional methods relying on manual analysis and rule-based engines suffer from low efficiency and potential errors. This work demonstrates the effectiveness of GNNs in automating these tasks, offering a more scalable and robust solution for code manipulation. The presented framework aims to improve code maintainability, reduce development time, and facilitate code optimization through a deeper understanding of code semantics. The key contribution lies in the application of GNNs to the specific domain of program code, moving beyond traditional symbolic representations and enabling a more nuanced and effective approach to code analysis and transformation.

基于图的自适应图神经网络

This paper introduces a novel graph neural network (GNN) architecture, termed "Adaptive Graph Neural Network" (AGNN), designed to dynamically adjust its graph structure in response to data fluctuations. The AGNN's core mechanism centers around a dynamic parameterization of the graph, enabling efficient knowledge transfer and generalization. We demonstrate the AGNN's effectiveness through a series of experiments on a diverse dataset, showcasing its superior performance compared to existing GNN models in scenarios requiring adaptive learning. The paper highlights the benefits of this approach, including improved robustness and generalization capabilities.

基于图的机器学习的动态路径规划

This paper investigates the application of Graph Neural Networks (GNNs) to dynamic path planning, offering a novel approach to address the limitations of traditional methods. Dynamic path planning necessitates the ability to adapt to changing environmental conditions and real-time data, which is often challenging with static maps. This work proposes a GNN-based algorithm that dynamically updates path strategies based on node and edge changes, leading to more intelligent and robust path generation. We explore the benefits of this approach in scenarios involving unpredictable environments and varying demand. The core mechanism leverages GNNs to predict future path trajectories, enabling continuous adaptation and optimization. This research demonstrates the potential of GNNs to revolutionize dynamic path planning, offering improved efficiency and resilience.

GDAN-ID: Subject-independent EEG emotion recognition via graph diffusion attention network with INRDecoder

基于图的复杂性学习的自适应几何建模

This paper introduces a novel approach to geometric modeling that leverages graph neural networks (GNNs) for adaptive complexity learning. Traditional methods often require manual design of complex geometric models, leading to high modeling costs. We propose a system that dynamically adjusts the complexity of GNNs based on the model's computational cost, enabling automatic adaptation and improved model performance. This research explores the use of GNNs to represent and learn complex geometric structures, demonstrating a method for automated complexity control and reduced modeling effort. The core mechanism centers around utilizing GNNs to represent the geometric structure and adjust network parameters based on the model's computational demands. This results in a system capable of generating and maintaining highly complex geometric models with minimal manual intervention.

基于图神经网络的系统状态预测与协同控制

This paper introduces a novel system of framework for predicting system states and enabling collaborative control utilizing graph neural networks (GNNs). The core idea is to leverage graph structure to model system dynamics, identify key nodes and their relationships, and facilitate efficient control strategies. We propose a GNN architecture that learns node representations based on the graph topology, enabling the model to effectively capture dependencies and predict future states. The proposed system demonstrates improved performance compared to traditional methods in predicting system behavior, especially in scenarios with complex dynamics. Furthermore, we showcase the potential for enhanced control through coordinated actions based on the identified graph structure. The research focuses on achieving optimal performance through careful design of the GNN architecture and the selection of appropriate node representation learning techniques. This work contributes to the advancement of intelligent systems by providing a robust and adaptable framework for state prediction and control.

##基于图神经网络的复杂性建模

This paper introduces a novel framework for complex system modeling based on graph neural networks (GNNs). We propose a method to automatically learn complex system structures from data, facilitating efficient complexity analysis. Traditional approaches often require manual model design, while GNNs offer a powerful mechanism for learning intricate structural representations. The proposed framework leverages GNNs to represent the system as a graph, where nodes represent elements and edges represent relationships. The model learns node embeddings that capture the system's overall structure, enabling efficient complexity analysis. We demonstrate the effectiveness of this approach through several case studies, highlighting its ability to capture intricate patterns and provide insightful complexity assessments. This work represents a significant advancement in complex system modeling, offering a more automated and flexible approach compared to existing methods.

Beyond Model Complexity: A Reproducible Comparison of Classical Machine Learning, Matrix Factorization, Graph Embeddings, and LightGCN for Recommendation

Recommender systems increasingly incorporate graph embeddings and graph neural networks to capture high-order relationships between users and items. However, the additional complexity of these approaches does not necessarily guarantee better recommendation quality than strong classical and latent-factor baselines. This study presents a reproducible comparison of six recommendation models representing four methodological families: Logistic Regression and Random Forest; Matrix Factorization with Bayesian Personalized Ranking; DeepWalk and node2vec; and LightGCN. The experiments were conducted on the MovieLens 1M dataset using a per-user temporal split. For each user, the most recent positive interaction was assigned to testing, the preceding interaction to validation, and all earlier positive interactions to training. The primary evaluation used identical candidate sets containing one held-out positive movie and 99 sampled unobserved movies. Performance was measured using Recall, Precision, Hit Rate, and NDCG at multiple cutoffs, complemented by bootstrap confidence intervals, paired statistical tests, computational-efficiency measurements, and analyses by user activity and movie popularity. Matrix Factorization achieved the best overall performance, reaching a Recall@10 of 0.7458 and an NDCG@10 of 0.4558, representing an approximately 56% improvement in NDCG@10 over Random Forest, the strongest classical baseline. Validation-based tuning improved LightGCN to an NDCG@10 of 0.2875; it significantly outperformed Logistic Regression but remained statistically indistinguishable from Random Forest after Holm correction. Tuned node2vec also significantly outperformed DeepWalk, reaching an NDCG@10 of 0.1593, although both random-walk embedding methods’ results remained substantially below than the strongest baselines. Popularity-based analysis further revealed that classical models and LightGCN achieved substantially higher ranking effectiveness for popular movies, whereas Matrix Factorization maintained comparatively stronger performance for less-popular items. These findings show that under the evaluated setting, greater model complexity did not consistently translate into higher recommendation effectiveness, and they thus highlight the importance of strong baselines, model tuning, standardized evaluation, and reproducible experimental protocols.