ИНТЕЛЛЕКТУАЛЬНАЯ СИСТЕМА ПОДБОРА ТЕХНОЛОГИЧЕСКИХ МАРШРУТОВ НА ОСНОВЕ ГРАФОВОЙ НЕЙРОСЕТИ И МАШИНОЧИТАЕМОЙ МОДЕЛИ ИЗДЕЛИЯ

The study of graph neural networks has revealed that they can unleash new applications in a variety of disciplines using such a basic process that we cannot imagine in the context of other deep learning designs. Many limitations limit their expressiveness, and researchers are working to overcome them to fully exploit the power of graph data. There are a number of publications that explore graph neural networks (GNNs) restrictions and bottlenecks, but the common thread that runs through them all is that they can all be traced back to message passing, which is the key technique we use to train our graph models. We outline the general GNN design pipeline in this study as well as discuss solutions to the over-smoothing problem, categorize the solutions, and identify open challenges for further research. Abbreviations: CGNN: Continuous Graph Neural Networks; CNN: Convolution NeuralNetwork; DeGNN: Decomposition Graph Neural Network; DGN: Directional GraphNetworks; DGN: Differentiable Group Normalization; DL: Deep Learning; EGAI:Enhancing GNNs by a High-quality Aggregation of Beneficial Information; GAT: GraphAttention Network; GCN: Graph Convolutional Network; GDC: Graph Drop Connect; GDR: Group Distance Ratio; GNN: Graph Neural Network; GRAND: GraphRandom Neural Networks; IIG: Instance Information Gain; MAD: Man AverageDistance; PDE-GCN: Partial Differential Equations-GCN; PTDNet: ParameterizedTopological Denoising network; TDGNN: Tree Decomposition Graph NeuralNetwork;

Network representation learning is receiving increasing attention from scholars. Among them, methods based on graph neural networks have become particularly popular. However, most existing methods currently only focus on networks with a single type of relations. In the real world, networks contain a wealth of diverse information, with multiple types of relationships between nodes. In this paper, we propose a graph neural network-based multiplex network representation learning model (GNMRL). We model nodes within each layer of the multiplex network by aggregating neighbor information. Additionally, since nodes are influenced by different network layers, we integrate node interaction information across network layers. We conducted systematic experiments on four datasets, and the results show that GNMRL outperforms other comparison methods in both link prediction and node classification tasks.

Graph neural networks in TensorFlow-Keras with RaggedTensor representation (kgcnn)

Graph Neural Networks (GNNs) have achieved remarkable success in recent years due to their powerful ability to model non-Euclidean data structures and complex relationships. However, as graph sizes and model complexities continue to grow, the efficient deployment of GNNs across various hardware platforms presents significant challenges. The two main computation modes in GNN inference exhibit distinct characteristics in sparsity and computational density, which results in imbalanced workload distribution and inefficient utilization of compute and memory bandwidth. Furthermore, subgraph partitioning strategies, commonly adopted to address on-chip resource constraints, frequently introduce write-back overhead and port conflicts, thereby limiting overall system throughput. To address these challenges, we propose TernaryGNNs, a high-throughput, area-efficient ternary weight GNN inference framework targeting CPU-FPGA heterogeneous platforms. First, we introduce a precision-preserving ternary quantization method that maintains model accuracy with 1.016% degradation, while achieving an average weight sparsity of 81.1% and a parameter reduction rate of 94.71%. Next, by exploiting sparsity, we reformulate GNN inference as Sparse Matrix–Dense Matrix Multiplication (SpMM) or Sparse General Matrix–Matrix Multiplication (SpGEMM) computation and propose a unified sparse-optimized processor architecture. Finally, we present a comprehensive software–hardware co-design framework that ensures adaptability to the evolving landscape of diverse GNN model architectures. Our framework supports nine mainstream GNN models. Compared to the State-of-the-Art (SOTA) general-purpose GNN processor GraphOPU, TernaryGNNs achieves an average \(2.79\times\) hardware performance improvement, \(1.70\times\) end-to-end performance improvement, and \(2.83\times\) area-efficiency improvement. Compared to the leading overlay accelerator FP-GNN, it delivers \(6.73\times\) hardware performance improvement on average.

AI-Driven molecule generation and bioactivity prediction: A multi-model approach combining VAE, graph and language-based neural networks.

Handling noisy labels during neural network training is fundamental, as such noise can skew model optimization, leading to diminished performance. This article zeroes in on node classification using graph neural networks (GNNs), renowned for their adeptness in harnessing both node attributes and edge connections. Nevertheless, GNNs, due to their inherent feature propagation and information amalgamation, are more susceptible to misdirection from label noise than conventional neural networks. While existing robust GNNs offer defenses against noise's adverse effects, they often underrate risks posed by noisy labels during training or undervalue the significance of fortifying edges against erroneous aggregation and noisy edges. Addressing these gaps, we introduce a novel robust GNN framework, noise-mitigating GNN (NomiGNN), designed to enhance the robustness of GNNs against label noise. NomiGNN estimates noise distributions and refines loss optimization to counteract noise during training. Moreover, by instituting edge labels for a fresh prediction task, we facilitate learning sample relationships via same-label probabilities, mitigating mis-aggregation from noisy edges and bolstering node classification. Supplementing this, we incorporate pseudoedge labeling and iterative learning to remedy label shortages and estimation inaccuracies. NomiGNN is substantiated by both theoretical rationale and empirical evidence. Experimental evaluations on five real-world graphs highlight NomiGNN's superior resilience against noisy label corruption, outperforming eight benchmark GNN models.

The graph neural network (GNN) has recently become an emerging research topic for processing non-euclidean data structures since the data used in various popular application domains are usually modeled as a graph, such as social networks, recommendation systems, and computer vision. Previous GNN accelerators commonly utilize the hybrid architecture to resolve the issue of “hybrid computing pattern” in GNN training. Nevertheless, the hybrid architecture suffers from poor utilization of hardware resources mainly due to the dynamic workloads between different phases in GNN. To address these issues, existing GNN accelerators adopt a unified structure with numerous processing elements and high bandwidth memory. However, the large amount of data movement between the processor and memory could heavily downgrade the performance of such accelerators in real-world graphs. As a result, the processing-in-memory architecture, such as the ReRAM-based crossbar, becomes a promising solution to reduce the memory overhead of GNN training. In this work, we present the TCAM-GNN, a novel TCAM-based data processing strategy, to enable high-throughput and energy-efficient GNN training over ReRAM-based crossbar architecture. Several hardware co-designed data structures and placement methods are proposed to fully exploit the parallelism in GNN during training. In addition, we propose a dynamic fixed-point formatting approach to resolve the precision issue. An adaptive data reusing policy is also proposed to enhance the data locality of graph features by the bootstrapping batch sampling approach. Overall, TCAM-GNN could enhance computing performance by 4.25× and energy efficiency by 9.11× on average compared to the neural network accelerators.

Graph neural networks (GNNs) is an information - processing system that uses message passing among graph nodes. In recent years, GNN variants including graph attention network (GAT), graph convolutional network (GCN), and graph recurrent network (GRN) have shown revolutionary performance in computer vision applications using deep learning and artificial intelligence. These neural network model extensions, collect information in the form of graphs. GNN may be divided into three groups based on the challenges it solves: link prediction, node classification, graph classification. Machines can differentiate and recognise objects in image and video using standard CNNs. Extensive amount of research work needs to be done before robots can have same visual intuition as humans. GNN architectures, on the other hand, may be used to solve various image categorization and video challenges. The number of GNN applications in computer vision not limited, continues to expand. Human-object interaction, actin understanding, image categorization from a few shots and many more. In this paper use of GNN in image and video understanding, design aspects, architecture, applications and implementation challenges towards computer vision is described. GNN is a strong tool for analysing graph data and is still a relatively active area that needs further researches attention to solve many computer vision applications.

Sex classification is a major benchmark of previous work in learning on the structural connectome, a naturally occurring brain graph that has proven useful for studying cognitive function and impairment. While graph neural networks (GNNs), specifically graph convolutional networks (GCNs), have gained popularity lately for their effectiveness in learning on graph data, achieving strong performance in adult sex classification tasks, their application to pediatric populations remains unexplored. We seek to characterize the capacity for GNN models to learn connectomic patterns on pediatric data through an exploration of training techniques and architectural design choices. Two datasets comprising an adult BRIGHT dataset (N = 147 Hodgkin's lymphoma survivors and N = 162 age similar controls) and a pediatric Human Connectome Project in Development (HCP-D) dataset (N = 135 healthy subjects) were utilized. Two GNN models (GCN simple and GCN residual), a deep neural network (multi-layer perceptron), and two standard machine learning models (random forest and support vector machine) were trained. Architecture exploration experiments were conducted to evaluate the impact of network depth, pooling techniques, and skip connections on the ability of GNN models to capture connectomic patterns. Models were assessed across a range of metrics including accuracy, AUC score, and adversarial robustness. GNNs outperformed other models across both populations. Notably, adult GNN models achieved 85.1% accuracy in sex classification on unseen adult participants, consistent with prior studies. The extension of the adult models to the pediatric dataset and training on the smaller pediatric dataset were sub-optimal in their performance. Using adult data to augment pediatric models, the best GNN achieved comparable accuracy across unseen pediatric (83.0%) and adult (81.3%) participants. Adversarial sensitivity experiments showed that the simple GCN remained the most robust to perturbations, followed by the multi-layer perceptron and the residual GCN. These findings underscore the potential of GNNs in advancing our understanding of sex-specific neurological development and disorders and highlight the importance of data augmentation in overcoming challenges associated with small pediatric datasets. Further, they highlight relevant tradeoffs in the design landscape of connectomic GNNs. For example, while the simpler GNN model tested exhibits marginally worse accuracy and AUC scores in comparison to the more complex residual GNN, it demonstrates a higher degree of adversarial robustness.

To meet the needs of AI design in analog IC design automation and especially in big data applications, the application of sensitive and precise Graph Neural Network (GNN) recognition will become increasingly necessary. This sensitive GNN recognition is needed to accommodate the highly stringent trade-offs on analog IC design requirements, combined with the increasingly large learning data requirements. Furthermore, more precise GNN recognition will be a fundamental requirement for a more sensitive system to accommodate noise in floating point (FP) calculations, namely inaccuracies and imprecision in IEEE 754 FP calculations. In this study, by refining a previously proposed method that uses the output vector representation (OVR) of the untrained Graph Neural Network (GNN), and by exploiting the numerical reproducibility error in FP calculations, a method for measuring the sensitivity and precision of GNNs for use in analog IC design recognition has been proposed. The results of the sensitivity and precision measurements of the proposed method show a complex combination of effects between dataset quality (the presence or absence of data duplication), the sensitivity of the GNN to distinguish each feature in the dataset, the complexity of the calculations that occur in the GNN, and the level of quality of the FP calculations performed by the processing unit related to the non-ideal FP calculations. With certain GNN configurations, the proposed method also succeeded in measuring the difference in FP calculation quality of Central Processing Unit (CPU) and Graphics Processing Unit (GPU), where, for big data applications, from the tests carried out, the maximum amount of data that can be distinguished by the CPU is 25 to 100 times more than with the GPU. Because it only uses untrained GNN OVR and does not involve any training process in obtaining results, the proposed method is still unable to obtain a correlation with the final value of GNN performance after training is complete. The measurement method using GNN OVR involving the learning process is future work.

Graph Neural Networks (GNNs) are the most common approach for learning complex relational data represented using graph data structures. Although GNNs are effective at learning representations of both nodes and graphs for a given task, the learning process is computationally expensive and as such, time and energy-inefficient. This paper investigates this challenge within the context of recent work on untrained graph representations that only train the solver model. We present Graph Vector Function Architecture (GVFA), a novel alternative to learning graph representations in GNNs that is based on hyperdimensional computing (HDC) principles. GVFA is a general zero-shot approach for graph and node representations without learning. As such, our representations are not task-specific and the computational costs of constructing them is substantially lower compared to learning-based GNN. Empirically, we demonstrate the expressiveness and generalization properties of different GVFA configurations. Our experimental results demonstrate that GVFA outperforms several classic GNNs on their benchmark datasets in terms of classification accuracy for both graph and node classification tasks, while also yielding a substantial reduction in training time.

Graph drawing techniques have been developed in the last few years with the purpose of producing esthetically pleasing node-link layouts. Recently, the employment of differentiable loss functions has paved the road to the massive usage of gradient descent and related optimization algorithms. In this article, we propose a novel framework for the development of Graph Neural Drawers (GNDs), machines that rely on neural computation for constructing efficient and complex maps. GND is Graph Neural Networks (GNNs) whose learning process can be driven by any provided loss function, such as the ones commonly employed in Graph Drawing. Moreover, we prove that this mechanism can be guided by loss functions computed by means of feedforward neural networks, on the basis of supervision hints that express beauty properties, like the minimization of crossing edges. In this context, we show that GNNs can nicely be enriched by positional features to deal also with unlabeled vertexes. We provide a proof-of-concept by constructing a loss function for the edge crossing and provide quantitative and qualitative comparisons among different GNN models working under the proposed framework.

Recent advances in applying deep neural networks to programming tasks have achieved remarkable success in practice, prompting interest in exploring how well these models can perform traditional program analysis techniques. Data-flow analysis (DFA), a classic and well-established approach for analyzing programs, presents an opportunity to assess the capabilities of neural networks in this domain. Given the structural similarities between DFA and Graph Neural Networks (GNNs), we explore the extent to which GNNs can effectively model the DFA algorithm. Building on the concept of algorithmic alignment from Neural Algorithmic Reasoning (NAR), we identify two key challenges: the noninterference property of the bit-vectors used in DFA and the complex handling of external information at different stages of the algorithm. Addressing these gaps, we propose three GNN architectures — DFA-GNN − , DFA-GNN, and DFA-GNN + — that progressively align with the DFA algorithm. Our evaluations emphasize the generalization capacity of these models, particularly in scenarios where training occurs on smaller samples while testing on much larger inputs. Results demonstrate that GNNs with higher algorithmic alignment, such as DFA-GNN + , exhibit superior generalization and sample efficiency, accurately scaling to 10 times larger inputs with minimal training data. Notably, we show that GNNs trained with only input-output pairs can perform competitively with models trained using full execution trajectory supervision, a common practice in recent NAR studies. This finding highlights the efficiency and robustness of GNNs in reasoning tasks when algorithmically aligned with the target algorithm.

Past events have revealed that widespread blackouts are mostly a result of cascading failures in the power grid. Understanding the underlining mechanisms of cascading failures can help in developing strategies to minimize the risk of such events. Moreover, a real-time detection of precursors to cascading failures will help operators take measures to prevent their propagation. Currently, the well-established probabilistic and physics-based models of cascading failures offer low computational efficiency, hindering them to be used only as offline tools. In this work, we develop a data-driven methodology for online estimation of the risk of cascading failures. We utilize a physics-based cascading failure model to generate a cascading failure dataset considering different operating conditions and failure scenarios, thus obtaining a sample space covering a large set of power grid states that are labeled as safe or unsafe. We use the synthetic data to train deep learning architectures, namely Feed-forward Neural Networks (FNN) and Graph Neural Networks (GNN). With the development of GNNs, improved performance is achieved with graph-structured data, and GNNs can generalize to graphs of diverse sizes. A comparison between FNN and GNN is made and the GNNs inductive capability is demonstrated via test grids. Furthermore, we apply transfer learning to improve the performance of a pre-trained GNN model on power grids not seen in the training process. The GNN model shows accuracy and balanced accuracy above 96% on selected test datasets not used in the training. Conversely, the FNN shows accuracy above 85% and balanced accuracy above 81% on test datasets unseen during training. Overall, the GNN model is successful in determining, if one or several simultaneous outages result in a critical grid state, under specific grid operating conditions.

SCN_GNN: A GNN-based fraud detection algorithm combining strong node and graph topology information