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Recent studies have demonstrated that the representations of artificial neural networks (ANNs) can exhibit notable similarities to cortical representations when subjected to identical auditory sensory inputs. In these studies, the ability to predict cortical representations is probed by regressing from ANN representations to cortical representations. Building upon this concept, our approach reverses the direction of prediction: we utilize ANN representations as a supervisory signal to train recognition models using noisy brain recordings obtained through non-invasive measurements. Specifically, we focus on constructing a recognition model for music identification, where electroencephalography (EEG) brain recordings collected during music listening serve as input. By training an EEG recognition model to predict ANN representations-representations associated with music identification-we observed a substantial improvement in classification accuracy. This study introduces a novel approach to developing recognition models for brain recordings in response to external auditory stimuli. It holds promise for advancing brain-computer interfaces (BCI), neural decoding techniques, and our understanding of music cognition. Furthermore, it provides new insights into the relationship between auditory brain activity and ANN representations.

Neural operators effectively solve PDE problems from data without knowing the explicit equations, which learn the map from the input sequences of observed samples to the predicted values. Most existing works build the model in the original geometric space, leading to high computational costs when the number of sample points is large. We present the Latent Neural Operator (LNO) solving PDEs in the latent space. In particular, we first propose Physics-Cross-Attention (PhCA) transforming representation from the geometric space to the latent space, then learn the operator in the latent space, and finally recover the real-world geometric space via the inverse PhCA map. Our model retains flexibility that can decode values in any position not limited to locations defined in the training set, and therefore can naturally perform interpolation and extrapolation tasks particularly useful for inverse problems. Moreover, the proposed LNO improves both prediction accuracy and computational efficiency. Experiments show that LNO reduces the GPU memory by 50%, speeds up training 1.8 times, and reaches state-of-the-art accuracy on four out of six benchmarks for forward problems and a benchmark for inverse problem. Code is available at //github.com/L-I-M-I-T/LatentNeuralOperator.

Discovering causal relationships in time series data is central in many scientific areas, ranging from economics to climate science. Granger causality is a powerful tool for causality detection. However, its original formulation is limited by its linear form and only recently nonlinear machine-learning generalizations have been introduced. This study contributes to the definition of neural Granger causality models by investigating the application of Kolmogorov-Arnold networks (KANs) in Granger causality detection and comparing their capabilities against multilayer perceptrons (MLP). In this work, we develop a framework called Granger Causality KAN (GC-KAN) along with a tailored training approach designed specifically for Granger causality detection. We test this framework on both Vector Autoregressive (VAR) models and chaotic Lorenz-96 systems, analysing the ability of KANs to sparsify input features by identifying Granger causal relationships, providing a concise yet accurate model for Granger causality detection. Our findings show the potential of KANs to outperform MLPs in discerning interpretable Granger causal relationships, particularly for the ability of identifying sparse Granger causality patterns in high-dimensional settings, and more generally, the potential of AI in causality discovery for the dynamical laws in physical systems.

We present JaxPP, a system for efficiently scaling the training of large deep learning models with flexible pipeline parallelism. We introduce a seamless programming model that allows implementing user-defined pipeline schedules for gradient accumulation. JaxPP automatically distributes tasks, corresponding to pipeline stages, over a cluster of nodes and automatically infers the communication among them. We implement a MPMD runtime for asynchronous execution of SPMD tasks. The pipeline parallelism implementation of JaxPP improves hardware utilization by up to $1.11\times$ with respect to the best performing SPMD configuration.

Neural combinatorial optimization (NCO) has gained significant attention due to the potential of deep learning to efficiently solve combinatorial optimization problems. NCO has been widely applied to job shop scheduling problems (JSPs) with the current focus predominantly on deterministic problems. In this paper, we propose a novel attention-based scenario processing module (SPM) to extend NCO methods for solving stochastic JSPs. Our approach explicitly incorporates stochastic information by an attention mechanism that captures the embedding of sampled scenarios (i.e., an approximation of stochasticity). Fed with the embedding, the base neural network is intervened by the attended scenarios, which accordingly learns an effective policy under stochasticity. We also propose a training paradigm that works harmoniously with either the expected makespan or Value-at-Risk objective. Results demonstrate that our approach outperforms existing learning and non-learning methods for the flexible JSP problem with stochastic processing times on a variety of instances. In addition, our approach holds significant generalizability to varied numbers of scenarios and disparate distributions.

We introduce a class of neural controlled differential equation inspired by quantum mechanics. Neural quantum controlled differential equations (NQDEs) model the dynamics by analogue of the Schr\"{o}dinger equation. Specifically, the hidden state represents the wave function, and its collapse leads to an interpretation of the classification probability. We implement and compare the results of four variants of NQDEs on a toy spiral classification problem.

Photoacoustic imaging (PAI) suffers from inherent limitations that can degrade the quality of reconstructed results, such as noise, artifacts and incomplete data acquisition caused by sparse sampling or partial array detection. In this study, we proposed a new optimization method for both two-dimensional (2D) and three-dimensional (3D) PAI reconstruction results, called the regularized iteration method with shape prior. The shape prior is a probability matrix derived from the reconstruction results of multiple sets of random partial array signals in a computational imaging system using any reconstruction algorithm, such as Delay-and-Sum (DAS) and Back-Projection (BP). In the probability matrix, high-probability locations indicate high consistency among multiple reconstruction results at those positions, suggesting a high likelihood of representing the true imaging results. In contrast, low-probability locations indicate higher randomness, leaning more towards noise or artifacts. As a shape prior, this probability matrix guides the iteration and regularization of the entire array signal reconstruction results using the original reconstruction algorithm (the same algorithm for processing random partial array signals). The method takes advantage of the property that the similarity of the object to be imitated is higher than that of noise or artifact in the results reconstructed by multiple sets of random partial array signals of the entire imaging system. The probability matrix is taken as a prerequisite for improving the original reconstruction results, and the optimizer is used to further iterate the imaging results to remove noise and artifacts and improve the imaging fidelity. Especially in the case involving sparse view which brings more artifacts, the effect is remarkable. Simulation and real experiments have both demonstrated the superiority of this method.

We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.

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.

Deep neural networks (DNNs) have been found to be vulnerable to adversarial examples resulting from adding small-magnitude perturbations to inputs. Such adversarial examples can mislead DNNs to produce adversary-selected results. Different attack strategies have been proposed to generate adversarial examples, but how to produce them with high perceptual quality and more efficiently requires more research efforts. In this paper, we propose AdvGAN to generate adversarial examples with generative adversarial networks (GANs), which can learn and approximate the distribution of original instances. For AdvGAN, once the generator is trained, it can generate adversarial perturbations efficiently for any instance, so as to potentially accelerate adversarial training as defenses. We apply AdvGAN in both semi-whitebox and black-box attack settings. In semi-whitebox attacks, there is no need to access the original target model after the generator is trained, in contrast to traditional white-box attacks. In black-box attacks, we dynamically train a distilled model for the black-box model and optimize the generator accordingly. Adversarial examples generated by AdvGAN on different target models have high attack success rate under state-of-the-art defenses compared to other attacks. Our attack has placed the first with 92.76% accuracy on a public MNIST black-box attack challenge.