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Deep Ensembles (DEs) demonstrate improved accuracy, calibration and robustness to perturbations over single neural networks partly due to their functional diversity. Particle-based variational inference (ParVI) methods enhance diversity by formalizing a repulsion term based on a network similarity kernel. However, weight-space repulsion is inefficient due to over-parameterization, while direct function-space repulsion has been found to produce little improvement over DEs. To sidestep these difficulties, we propose First-order Repulsive Deep Ensemble (FoRDE), an ensemble learning method based on ParVI, which performs repulsion in the space of first-order input gradients. As input gradients uniquely characterize a function up to translation and are much smaller in dimension than the weights, this method guarantees that ensemble members are functionally different. Intuitively, diversifying the input gradients encourages each network to learn different features, which is expected to improve the robustness of an ensemble. Experiments on image classification datasets and transfer learning tasks show that FoRDE significantly outperforms the gold-standard DEs and other ensemble methods in accuracy and calibration under covariate shift due to input perturbations.

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The energy-efficient and brain-like information processing abilities of Spiking Neural Networks (SNNs) have attracted considerable attention, establishing them as a crucial element of brain-inspired computing. One prevalent challenge encountered by SNNs is the trade-off between inference speed and accuracy, which requires sufficient time to achieve the desired level of performance. Drawing inspiration from animal behavior experiments that demonstrate a connection between decision-making reaction times, task complexity, and confidence levels, this study seeks to apply these insights to SNNs. The focus is on understanding how SNNs make inferences, with a particular emphasis on untangling the interplay between signal and noise in decision-making processes. The proposed theoretical framework introduces a new optimization objective for SNN training, highlighting the importance of not only the accuracy of decisions but also the development of predictive confidence through learning from past experiences. Experimental results demonstrate that SNNs trained according to this framework exhibit improved confidence expression, leading to better decision-making outcomes. In addition, a strategy is introduced for efficient decision-making during inference, which allows SNNs to complete tasks more quickly and can use stopping times as indicators of decision confidence. By integrating neuroscience insights with neuromorphic computing, this study opens up new possibilities to explore the capabilities of SNNs and advance their application in complex decision-making scenarios.

In CFD, mesh smoothing methods are commonly utilized to refine the mesh quality to achieve high-precision numerical simulations. Specifically, optimization-based smoothing is used for high-quality mesh smoothing, but it incurs significant computational overhead. Pioneer works improve its smoothing efficiency by adopting supervised learning to learn smoothing methods from high-quality meshes. However, they pose difficulty in smoothing the mesh nodes with varying degrees and also need data augmentation to address the node input sequence problem. Additionally, the required labeled high-quality meshes further limit the applicability of the proposed method. In this paper, we present GMSNet, a lightweight neural network model for intelligent mesh smoothing. GMSNet adopts graph neural networks to extract features of the node's neighbors and output the optimal node position. During smoothing, we also introduce a fault-tolerance mechanism to prevent GMSNet from generating negative volume elements. With a lightweight model, GMSNet can effectively smoothing mesh nodes with varying degrees and remain unaffected by the order of input data. A novel loss function, MetricLoss, is also developed to eliminate the need for high-quality meshes, which provides a stable and rapid convergence during training. We compare GMSNet with commonly used mesh smoothing methods on two-dimensional triangle meshes. The experimental results show that GMSNet achieves outstanding mesh smoothing performances with 5% model parameters of the previous model, and attains 13.56 times faster than optimization-based smoothing.

We propose a novel method for geolocalizing Unmanned Aerial Vehicles (UAVs) in environments lacking Global Navigation Satellite Systems (GNSS). Current state-of-the-art techniques employ an offline-trained encoder to generate a vector representation (embedding) of the UAV's current view, which is then compared with pre-computed embeddings of geo-referenced images to determine the UAV's position. Here, we demonstrate that the performance of these methods can be significantly enhanced by preprocessing the images to extract their edges, which exhibit robustness to seasonal and illumination variations. Furthermore, we establish that utilizing edges enhances resilience to orientation and altitude inaccuracies. Additionally, we introduce a confidence criterion for localization. Our findings are substantiated through synthetic experiments.

This article presents factor copula approaches to model temporal dependency of non-Gaussian (continuous/discrete) longitudinal data. Factor copula models are canonical vine copulas which explain the underlying dependence structure of a multivariate data through latent variables, and therefore can be easily interpreted and implemented to unbalanced longitudinal data. We develop regression models for continuous, binary and ordinal longitudinal data including covariates, by using factor copula constructions with subject-specific latent variables. Considering homogeneous within-subject dependence, our proposed models allow for feasible parametric inference in moderate to high dimensional situations, using two-stage (IFM) estimation method. We assess the finite sample performance of the proposed models with extensive simulation studies. In the empirical analysis, the proposed models are applied for analysing different longitudinal responses of two real world data sets. Moreover, we compare the performances of these models with some widely used random effect models using standard model selection techniques and find substantial improvements. Our studies suggest that factor copula models can be good alternatives to random effect models and can provide better insights to temporal dependency of longitudinal data of arbitrary nature.

Dynamic network data analysis requires joint modelling individual snapshots and time dynamics. This paper proposes a new two-way heterogeneity model towards this goal. The new model equips each node of the network with two heterogeneity parameters, one to characterize the propensity of forming ties with other nodes and the other to differentiate the tendency of retaining existing ties over time. Though the negative log-likelihood function is non-convex, it is locally convex in a neighbourhood of the true value of the parameter vector. By using a novel method of moments estimator as the initial value, the consistent local maximum likelihood estimator (MLE) can be obtained by a gradient descent algorithm. To establish the upper bound for the estimation error of the MLE, we derive a new uniform deviation bound, which is of independent interest. The usefulness of the model and the associated theory are further supported by extensive simulation and the analysis of some real network data sets.

We demonstrate that neural networks can be FLOP-efficient integrators of one-dimensional oscillatory integrands. We train a feed-forward neural network to compute integrals of highly oscillatory 1D functions. The training set is a parametric combination of functions with varying characters and oscillatory behavior degrees. Numerical examples show that these networks are FLOP-efficient for sufficiently oscillatory integrands with an average FLOP gain of 1000 FLOPs. The network calculates oscillatory integrals better than traditional quadrature methods under the same computational budget or number of floating point operations. We find that feed-forward networks of 5 hidden layers are satisfactory for a relative accuracy of 0.001. The computational burden of inference of the neural network is relatively small, even compared to inner-product pattern quadrature rules. We postulate that our result follows from learning latent patterns in the oscillatory integrands that are otherwise opaque to traditional numerical integrators.

Hybrid quantum-classical computing in the noisy intermediate-scale quantum (NISQ) era with variational algorithms can exhibit barren plateau issues, causing difficult convergence of gradient-based optimization techniques. In this paper, we discuss "post-variational strategies", which shift tunable parameters from the quantum computer to the classical computer, opting for ensemble strategies when optimizing quantum models. We discuss various strategies and design principles for constructing individual quantum circuits, where the resulting ensembles can be optimized with convex programming. Further, we discuss architectural designs of post-variational quantum neural networks and analyze the propagation of estimation errors throughout such neural networks. Finally, we show that empirically, post-variational quantum neural networks using our architectural designs can potentially provide better results than variational algorithms and performance comparable to that of two-layer neural networks.

We develop a robust quaternion recurrent neural network (QRNN) for real-time processing of 3D and 4D data with outliers. This is achieved by combining the real-time recurrent learning (RTRL) algorithm and the maximum correntropy criterion (MCC) as a loss function. While both the mean square error and maximum correntropy criterion are viable cost functions, it is shown that the non-quadratic maximum correntropy loss function is less sensitive to outliers, making it suitable for applications with multidimensional noisy or uncertain data. Both algorithms are derived based on the novel generalised HR (GHR) calculus, which allows for the differentiation of real functions of quaternion variables and offers the product and chain rules, thus enabling elegant and compact derivations. Simulation results in the context of motion prediction of chest internal markers for lung cancer radiotherapy, which includes regular and irregular breathing sequences, support the analysis.

We apply a generalized piecewise-linear (PL) version of Morse theory due to Grunert-Kuhnel-Rote to define and study new local and global notions of topological complexity for fully-connected feedforward ReLU neural network functions, F: R^n -> R. Along the way, we show how to construct, for each such F, a canonical polytopal complex K(F) and a deformation retract of the domain onto K(F), yielding a convenient compact model for performing calculations. We also give a construction showing that local complexity can be arbitrarily high.

Recent advances in 3D fully convolutional networks (FCN) have made it feasible to produce dense voxel-wise predictions of volumetric images. In this work, we show that a multi-class 3D FCN trained on manually labeled CT scans of several anatomical structures (ranging from the large organs to thin vessels) can achieve competitive segmentation results, while avoiding the need for handcrafting features or training class-specific models. To this end, we propose a two-stage, coarse-to-fine approach that will first use a 3D FCN to roughly define a candidate region, which will then be used as input to a second 3D FCN. This reduces the number of voxels the second FCN has to classify to ~10% and allows it to focus on more detailed segmentation of the organs and vessels. We utilize training and validation sets consisting of 331 clinical CT images and test our models on a completely unseen data collection acquired at a different hospital that includes 150 CT scans, targeting three anatomical organs (liver, spleen, and pancreas). In challenging organs such as the pancreas, our cascaded approach improves the mean Dice score from 68.5 to 82.2%, achieving the highest reported average score on this dataset. We compare with a 2D FCN method on a separate dataset of 240 CT scans with 18 classes and achieve a significantly higher performance in small organs and vessels. Furthermore, we explore fine-tuning our models to different datasets. Our experiments illustrate the promise and robustness of current 3D FCN based semantic segmentation of medical images, achieving state-of-the-art results. Our code and trained models are available for download: //github.com/holgerroth/3Dunet_abdomen_cascade.

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