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Spiking Neural Networks (SNNs) have gained attention for their energy-efficient machine learning capabilities, utilizing bio-inspired activation functions and sparse binary spike-data representations. While recent SNN algorithmic advances achieve high accuracy on large-scale computer vision tasks, their energy-efficiency claims rely on certain impractical estimation metrics. This work studies two hardware benchmarking platforms for large-scale SNN inference, namely SATA and SpikeSim. SATA is a sparsity-aware systolic-array accelerator, while SpikeSim evaluates SNNs implemented on In-Memory Computing (IMC) based analog crossbars. Using these tools, we find that the actual energy-efficiency improvements of recent SNN algorithmic works differ significantly from their estimated values due to various hardware bottlenecks. We identify and address key roadblocks to efficient SNN deployment on hardware, including repeated computations & data movements over timesteps, neuronal module overhead, and vulnerability of SNNs towards crossbar non-idealities.

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Federated Learning (FL) is a promising research paradigm that enables the collaborative training of machine learning models among various parties without the need for sensitive information exchange. Nonetheless, retaining data in individual clients introduces fundamental challenges to achieving performance on par with centrally trained models. Our study provides an extensive review of federated learning applied to visual recognition. It underscores the critical role of thoughtful architectural design choices in achieving optimal performance, a factor often neglected in the FL literature. Many existing FL solutions are tested on shallow or simple networks, which may not accurately reflect real-world applications. This practice restricts the transferability of research findings to large-scale visual recognition models. Through an in-depth analysis of diverse cutting-edge architectures such as convolutional neural networks, transformers, and MLP-mixers, we experimentally demonstrate that architectural choices can substantially enhance FL systems' performance, particularly when handling heterogeneous data. We study 19 visual recognition models from five different architectural families on four challenging FL datasets. We also re-investigate the inferior performance of convolution-based architectures in the FL setting and analyze the influence of normalization layers on the FL performance. Our findings emphasize the importance of architectural design for computer vision tasks in practical scenarios, effectively narrowing the performance gap between federated and centralized learning. Our source code is available at //github.com/sarapieri/fed_het.git.

Recent advances in machine learning (ML) have shown promise in aiding and accelerating classical combinatorial optimization algorithms. ML-based speed ups that aim to learn in an end to end manner (i.e., directly output the solution) tend to trade off run time with solution quality. Therefore, solutions that are able to accelerate existing solvers while maintaining their performance guarantees, are of great interest. We consider an APX-hard problem, where an adversary aims to attack shortest paths in a graph by removing the minimum number of edges. We propose the GRASP algorithm: Graph Attention Accelerated Shortest Path Attack, an ML aided optimization algorithm that achieves run times up to 10x faster, while maintaining the quality of solution generated. GRASP uses a graph attention network to identify a smaller subgraph containing the combinatorial solution, thus effectively reducing the input problem size. Additionally, we demonstrate how careful representation of the input graph, including node features that correlate well with the optimization task, can highlight important structure in the optimization solution.

High dimension, low sample size (HDLSS) problems are numerous among real-world applications of machine learning. From medical images to text processing, traditional machine learning algorithms are usually unsuccessful in learning the best possible concept from such data. In a previous work, we proposed a dissimilarity-based approach for multi-view classification, the Random Forest Dissimilarity (RFD), that perfoms state-of-the-art results for such problems. In this work, we transpose the core principle of this approach to solving HDLSS classification problems, by using the RF similarity measure as a learned precomputed SVM kernel (RFSVM). We show that such a learned similarity measure is particularly suited and accurate for this classification context. Experiments conducted on 40 public HDLSS classification datasets, supported by rigorous statistical analyses, show that the RFSVM method outperforms existing methods for the majority of HDLSS problems and remains at the same time very competitive for low or non-HDLSS problems.

Graph Neural Networks (GNNs) have become a popular tool for learning on graphs, but their widespread use raises privacy concerns as graph data can contain personal or sensitive information. Differentially private GNN models have been recently proposed to preserve privacy while still allowing for effective learning over graph-structured datasets. However, achieving an ideal balance between accuracy and privacy in GNNs remains challenging due to the intrinsic structural connectivity of graphs. In this paper, we propose a new differentially private GNN called ProGAP that uses a progressive training scheme to improve such accuracy-privacy trade-offs. Combined with the aggregation perturbation technique to ensure differential privacy, ProGAP splits a GNN into a sequence of overlapping submodels that are trained progressively, expanding from the first submodel to the complete model. Specifically, each submodel is trained over the privately aggregated node embeddings learned and cached by the previous submodels, leading to an increased expressive power compared to previous approaches while limiting the incurred privacy costs. We formally prove that ProGAP ensures edge-level and node-level privacy guarantees for both training and inference stages, and evaluate its performance on benchmark graph datasets. Experimental results demonstrate that ProGAP can achieve up to 5-10% higher accuracy than existing state-of-the-art differentially private GNNs. Our code is available at //github.com/sisaman/ProGAP.

Physics Informed Neural Networks (PINNs) represent the intersection between physics-based modeling and deep learning, but successfully training PINNs in 3D for highly nonlinear PDEs on complex domains remains a challenging task. In this paper, PINNs are used to solve the 3D incompressible Navier-Stokes (NS) equations at high Reynolds numbers for complex geometries, using very sparsely distributed solution data in the domain. The effect of the amount of data provided and the PDE-based regularizers are investigated. Additionally, hybrid data-PINNs are used to create surrogate models to solve a realistic flow-thermal electronics design problem in near real-time, and it is found that the hybrid data-PINNs consistently outperform standard data-driven neural networks when tested on unseen query points. The findings of the paper show how PINNs can be effective when used in conjunction with sparse data for solving 3D nonlinear PDEs or for surrogate modeling of design spaces governed by them.

Graph Convolutional Network (GCN) has achieved extraordinary success in learning effective task-specific representations of nodes in graphs. However, regarding Heterogeneous Information Network (HIN), existing HIN-oriented GCN methods still suffer from two deficiencies: (1) they cannot flexibly explore all possible meta-paths and extract the most useful ones for a target object, which hinders both effectiveness and interpretability; (2) they often need to generate intermediate meta-path based dense graphs, which leads to high computational complexity. To address the above issues, we propose an interpretable and efficient Heterogeneous Graph Convolutional Network (ie-HGCN) to learn the representations of objects in HINs. It is designed as a hierarchical aggregation architecture, i.e., object-level aggregation first, followed by type-level aggregation. The novel architecture can automatically extract useful meta-paths for each object from all possible meta-paths (within a length limit), which brings good model interpretability. It can also reduce the computational cost by avoiding intermediate HIN transformation and neighborhood attention. We provide theoretical analysis about the proposed ie-HGCN in terms of evaluating the usefulness of all possible meta-paths, its connection to the spectral graph convolution on HINs, and its quasi-linear time complexity. Extensive experiments on three real network datasets demonstrate the superiority of ie-HGCN over the state-of-the-art methods.

Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.

Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of GNNs. Although most of GNNs basically follow a message passing manner, litter effort has been made to discover and analyze their essential relations. In this paper, we establish a surprising connection between different propagation mechanisms with a unified optimization problem, showing that despite the proliferation of various GNNs, in fact, their proposed propagation mechanisms are the optimal solution optimizing a feature fitting function over a wide class of graph kernels with a graph regularization term. Our proposed unified optimization framework, summarizing the commonalities between several of the most representative GNNs, not only provides a macroscopic view on surveying the relations between different GNNs, but also further opens up new opportunities for flexibly designing new GNNs. With the proposed framework, we discover that existing works usually utilize naive graph convolutional kernels for feature fitting function, and we further develop two novel objective functions considering adjustable graph kernels showing low-pass or high-pass filtering capabilities respectively. Moreover, we provide the convergence proofs and expressive power comparisons for the proposed models. Extensive experiments on benchmark datasets clearly show that the proposed GNNs not only outperform the state-of-the-art methods but also have good ability to alleviate over-smoothing, and further verify the feasibility for designing GNNs with our unified optimization framework.

Graph Convolutional Networks (GCNs) have recently become the primary choice for learning from graph-structured data, superseding hash fingerprints in representing chemical compounds. However, GCNs lack the ability to take into account the ordering of node neighbors, even when there is a geometric interpretation of the graph vertices that provides an order based on their spatial positions. To remedy this issue, we propose Geometric Graph Convolutional Network (geo-GCN) which uses spatial features to efficiently learn from graphs that can be naturally located in space. Our contribution is threefold: we propose a GCN-inspired architecture which (i) leverages node positions, (ii) is a proper generalisation of both GCNs and Convolutional Neural Networks (CNNs), (iii) benefits from augmentation which further improves the performance and assures invariance with respect to the desired properties. Empirically, geo-GCN outperforms state-of-the-art graph-based methods on image classification and chemical tasks.

Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.

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