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A limited set of tools exist for assessing whether the behavior of quantum machine learning models diverges from conventional models, outside of abstract or theoretical settings. We present a systematic application of explainable artificial intelligence techniques to analyze synthetic data generated from a hybrid quantum-classical neural network adapted from twenty different real-world data sets, including solar flares, cardiac arrhythmia, and speech data. Each of these data sets exhibits varying degrees of complexity and class imbalance. We benchmark the quantum-generated data relative to state-of-the-art methods for mitigating class imbalance for associated classification tasks. We leverage this approach to elucidate the qualities of a problem that make it more or less likely to be amenable to a hybrid quantum-classical generative model.

Cross-View Geo-Localization (CVGL) estimates the location of a ground image by matching it to a geo-tagged aerial image in a database. Recent works achieve outstanding progress on CVGL benchmarks. However, existing methods still suffer from poor performance in cross-area evaluation, in which the training and testing data are captured from completely distinct areas. We attribute this deficiency to the lack of ability to extract the geometric layout of visual features and models' overfitting to low-level details. Our preliminary work introduced a Geometric Layout Extractor (GLE) to capture the geometric layout from input features. However, the previous GLE does not fully exploit information in the input feature. In this work, we propose GeoDTR+ with an enhanced GLE module that better models the correlations among visual features. To fully explore the LS techniques from our preliminary work, we further propose Contrastive Hard Samples Generation (CHSG) to facilitate model training. Extensive experiments show that GeoDTR+ achieves state-of-the-art (SOTA) results in cross-area evaluation on CVUSA, CVACT, and VIGOR by a large margin ($16.44\%$, $22.71\%$, and $17.02\%$ without polar transformation) while keeping the same-area performance comparable to existing SOTA. Moreover, we provide detailed analyses of GeoDTR+.

The forecasting and computation of the stability of chaotic systems from partial observations are tasks for which traditional equation-based methods may not be suitable. In this computational paper, we propose data-driven methods to (i) infer the dynamics of unobserved (hidden) chaotic variables (full-state reconstruction); (ii) time forecast the evolution of the full state; and (iii) infer the stability properties of the full state. The tasks are performed with long short-term memory (LSTM) networks, which are trained with observations (data) limited to only part of the state: (i) the low-to-high resolution LSTM (LH-LSTM), which takes partial observations as training input, and requires access to the full system state when computing the loss; and (ii) the physics-informed LSTM (PI-LSTM), which is designed to combine partial observations with the integral formulation of the dynamical system's evolution equations. First, we derive the Jacobian of the LSTMs. Second, we analyse a chaotic partial differential equation, the Kuramoto-Sivashinsky (KS), and the Lorenz-96 system. We show that the proposed networks can forecast the hidden variables, both time-accurately and statistically. The Lyapunov exponents and covariant Lyapunov vectors, which characterize the stability of the chaotic attractors, are correctly inferred from partial observations. Third, the PI-LSTM outperforms the LH-LSTM by successfully reconstructing the hidden chaotic dynamics when the input dimension is smaller or similar to the Kaplan-Yorke dimension of the attractor. This work opens new opportunities for reconstructing the full state, inferring hidden variables, and computing the stability of chaotic systems from partial data.

Quantization summarizes continuous distributions by calculating a discrete approximation. Among the widely adopted methods for data quantization is Lloyd's algorithm, which partitions the space into Vorono\"i cells, that can be seen as clusters, and constructs a discrete distribution based on their centroids and probabilistic masses. Lloyd's algorithm estimates the optimal centroids in a minimal expected distance sense, but this approach poses significant challenges in scenarios where data evaluation is costly, and relates to rare events. Then, the single cluster associated to no event takes the majority of the probability mass. In this context, a metamodel is required and adapted sampling methods are necessary to increase the precision of the computations on the rare clusters.

TraitLab is a software package for simulating, fitting and analysing tree-like binary data under a stochastic Dollo model of evolution. The model also allows for rate heterogeneity through catastrophes, evolutionary events where many traits are simultaneously lost while new ones arise, and borrowing, whereby traits transfer laterally between species as well as through ancestral relationships. The core of the package is a Markov chain Monte Carlo (MCMC) sampling algorithm that enables the user to sample from the Bayesian joint posterior distribution for tree topologies, clade and root ages, and the trait loss, catastrophe and borrowing rates for a given data set. Data can be simulated according to the fitted Dollo model or according to a number of generalized models that allow for heterogeneity in the trait loss rate, biases in the data collection process and borrowing of traits between lineages. Coupled pairs of Markov chains can be used to diagnose MCMC mixing and convergence and to debias MCMC estimators. The raw data, MCMC run output, and model fit can be inspected using a number of useful graphical and analytical tools provided within the package or imported into other popular analysis programs. TraitLab is freely available and runs within the Matlab computing environment with its Statistics and Machine Learning toolbox, no other additional toolboxes are required.

A primary challenge of physics-informed machine learning (PIML) is its generalization beyond the training domain, especially when dealing with complex physical problems represented by partial differential equations (PDEs). This paper aims to enhance the generalization capabilities of PIML, facilitating practical, real-world applications where accurate predictions in unexplored regions are crucial. We leverage the inherent causality and temporal sequential characteristics of PDE solutions to fuse PIML models with recurrent neural architectures based on systems of ordinary differential equations, referred to as neural oscillators. Through effectively capturing long-time dependencies and mitigating the exploding and vanishing gradient problem, neural oscillators foster improved generalization in PIML tasks. Extensive experimentation involving time-dependent nonlinear PDEs and biharmonic beam equations demonstrates the efficacy of the proposed approach. Incorporating neural oscillators outperforms existing state-of-the-art methods on benchmark problems across various metrics. Consequently, the proposed method improves the generalization capabilities of PIML, providing accurate solutions for extrapolation and prediction beyond the training data.

Optimal transport has gained much attention in image processing field, such as computer vision, image interpolation and medical image registration. Recently, Bredies et al. (ESAIM:M2AN 54:2351-2382, 2020) and Schmitzer et al. (IEEE T MED IMAGING 39:1626-1635, 2019) established the framework of optimal transport regularization for dynamic inverse problems. In this paper, we incorporate Wasserstein distance, together with total variation, into static inverse problems as a prior regularization. The Wasserstein distance formulated by Benamou-Brenier energy measures the similarity between the given template and the reconstructed image. Also, we analyze the existence of solutions of such variational problem in Radon measure space. Moreover, the first-order primal-dual algorithm is constructed for solving this general imaging problem in a specific grid strategy. Finally, numerical experiments for undersampled MRI reconstruction are presented which show that our proposed model can recover images well with high quality and structure preservation.

In light of the increasing adoption of edge computing in areas such as intelligent furniture, robotics, and smart homes, this paper introduces HyperSNN, an innovative method for control tasks that uses spiking neural networks (SNNs) in combination with hyperdimensional computing. HyperSNN substitutes expensive 32-bit floating point multiplications with 8-bit integer additions, resulting in reduced energy consumption while enhancing robustness and potentially improving accuracy. Our model was tested on AI Gym benchmarks, including Cartpole, Acrobot, MountainCar, and Lunar Lander. HyperSNN achieves control accuracies that are on par with conventional machine learning methods but with only 1.36% to 9.96% of the energy expenditure. Furthermore, our experiments showed increased robustness when using HyperSNN. We believe that HyperSNN is especially suitable for interactive, mobile, and wearable devices, promoting energy-efficient and robust system design. Furthermore, it paves the way for the practical implementation of complex algorithms like model predictive control (MPC) in real-world industrial scenarios.

Long-span bridges are subjected to a multitude of dynamic excitations during their lifespan. To account for their effects on the structural system, several load models are used during design to simulate the conditions the structure is likely to experience. These models are based on different simplifying assumptions and are generally guided by parameters that are stochastically identified from measurement data, making their outputs inherently uncertain. This paper presents a probabilistic physics-informed machine-learning framework based on Gaussian process regression for reconstructing dynamic forces based on measured deflections, velocities, or accelerations. The model can work with incomplete and contaminated data and offers a natural regularization approach to account for noise in the measurement system. An application of the developed framework is given by an aerodynamic analysis of the Great Belt East Bridge. The aerodynamic response is calculated numerically based on the quasi-steady model, and the underlying forces are reconstructed using sparse and noisy measurements. Results indicate a good agreement between the applied and the predicted dynamic load and can be extended to calculate global responses and the resulting internal forces. Uses of the developed framework include validation of design models and assumptions, as well as prognosis of responses to assist in damage detection and structural health monitoring.

The remarkable practical success of deep learning has revealed some major surprises from a theoretical perspective. In particular, simple gradient methods easily find near-optimal solutions to non-convex optimization problems, and despite giving a near-perfect fit to training data without any explicit effort to control model complexity, these methods exhibit excellent predictive accuracy. We conjecture that specific principles underlie these phenomena: that overparametrization allows gradient methods to find interpolating solutions, that these methods implicitly impose regularization, and that overparametrization leads to benign overfitting. We survey recent theoretical progress that provides examples illustrating these principles in simpler settings. We first review classical uniform convergence results and why they fall short of explaining aspects of the behavior of deep learning methods. We give examples of implicit regularization in simple settings, where gradient methods lead to minimal norm functions that perfectly fit the training data. Then we review prediction methods that exhibit benign overfitting, focusing on regression problems with quadratic loss. For these methods, we can decompose the prediction rule into a simple component that is useful for prediction and a spiky component that is useful for overfitting but, in a favorable setting, does not harm prediction accuracy. We focus specifically on the linear regime for neural networks, where the network can be approximated by a linear model. In this regime, we demonstrate the success of gradient flow, and we consider benign overfitting with two-layer networks, giving an exact asymptotic analysis that precisely demonstrates the impact of overparametrization. We conclude by highlighting the key challenges that arise in extending these insights to realistic deep learning settings.