In traditional topology optimization, the computing time required to iteratively update the material distribution within a design domain strongly depends on the complexity or size of the problem, limiting its application in real engineering contexts. This work proposes a multi-stage machine learning strategy that aims to predict an optimal topology and the related stress fields of interest, either in 2D or 3D, without resorting to any iterative analysis and design process. The overall topology optimization is treated as regression task in a low-dimensional latent space, that encodes the variability of the target designs. First, a fully-connected model is employed to surrogate the functional link between the parametric input space characterizing the design problem and the latent space representation of the corresponding optimal topology. The decoder branch of an autoencoder is then exploited to reconstruct the desired optimal topology from its latent representation. The deep learning models are trained on a dataset generated through a standard method of topology optimization implementing the solid isotropic material with penalization, for varying boundary and loading conditions. The underlying hypothesis behind the proposed strategy is that optimal topologies share enough common patterns to be compressed into small latent space representations without significant information loss. Results relevant to a 2D Messerschmitt-B\"olkow-Blohm beam and a 3D bridge case demonstrate the capabilities of the proposed framework to provide accurate optimal topology predictions in a fraction of a second.
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This study introduces time-reversal E(3)-equivariant neural network and SpinGNN++ framework for constructing a comprehensive interatomic potential for magnetic systems, encompassing spin-orbit coupling and noncollinear magnetic moments. SpinGNN++ integrates multitask spin equivariant neural network with explicit spin-lattice terms, including Heisenberg, Dzyaloshinskii-Moriya, Kitaev, single-ion anisotropy, and biquadratic interactions, and employs time-reversal equivariant neural network to learn high-order spin-lattice interactions using time-reversal E(3)-equivariant convolutions. To validate SpinGNN++, a complex magnetic model dataset is introduced as a benchmark and employed to demonstrate its capabilities. SpinGNN++ provides accurate descriptions of the complex spin-lattice coupling in monolayer CrI$_3$ and CrTe$_2$, achieving sub-meV errors. Importantly, it facilitates large-scale parallel spin-lattice dynamics, thereby enabling the exploration of associated properties, including the magnetic ground state and phase transition. Remarkably, SpinGNN++ identifies a new ferrimagnetic state as the ground magnetic state for monolayer CrTe2, thereby enriching its phase diagram and providing deeper insights into the distinct magnetic signals observed in various experiments.
One tuple of probability vectors is more informative than another tuple when there exists a single stochastic matrix transforming the probability vectors of the first tuple into the probability vectors of the other. This is called matrix majorization. Solving an open problem raised by Mu et al, we show that if certain monotones - namely multivariate extensions of R\'{e}nyi divergences - are strictly ordered between the two tuples, then for sufficiently large $n$, there exists a stochastic matrix taking the $n$-fold Kronecker power of each input distribution to the $n$-fold Kronecker power of the corresponding output distribution. The same conditions, with non-strict ordering for the monotones, are also necessary for such matrix majorization in large samples. Our result also gives conditions for the existence of a sequence of statistical maps that asymptotically (with vanishing error) convert a single copy of each input distribution to the corresponding output distribution with the help of a catalyst that is returned unchanged. Allowing for transformation with arbitrarily small error, we find conditions that are both necessary and sufficient for such catalytic matrix majorization. We derive our results by building on a general algebraic theory of preordered semirings recently developed by one of the authors. This also allows us to recover various existing results on majorization in large samples and in the catalytic regime as well as relative majorization in a unified manner.
We explore Langevin dynamics in the spherical Sherrington-Kirkpatrick model, delving into the asymptotic energy limit. Our approach involves integro-differential equations, incorporating the Crisanti-Horner-Sommers-Cugliandolo-Kurchan equation from spin glass literature, to analyze the system's size and its temperature-dependent phase transition. Additionally, we conduct an average case complexity analysis, establishing hitting time bounds for the bottom eigenvector of a Wigner matrix. Our investigation also includes the power iteration algorithm, examining its average case complexity in identifying the top eigenvector overlap, with comprehensive complexity bounds.
In the present paper, we propose a block variant of the extended Hessenberg process for computing approximations of matrix functions and other problems producing large-scale matrices. Applications to the computation of a matrix function such as f(A)V, where A is an nxn large sparse matrix, V is an nxp block with p<<n, and f is a function are presented. Solving shifted linear systems with multiple right hand sides are also given. Computing approximations of these matrix problems appear in many scientific and engineering applications. Different numerical experiments are provided to show the effectiveness of the proposed method for these problems.
We propose hybrid digital-analog learning algorithms on Rydberg atom arrays, combining the potentially practical utility and near-term realizability of quantum learning with the rapidly scaling architectures of neutral atoms. Our construction requires only single-qubit operations in the digital setting and global driving according to the Rydberg Hamiltonian in the analog setting. We perform a comprehensive numerical study of our algorithm on both classical and quantum data, given respectively by handwritten digit classification and unsupervised quantum phase boundary learning. We show in the two representative problems that digital-analog learning is not only feasible in the near term, but also requires shorter circuit depths and is more robust to realistic error models as compared to digital learning schemes. Our results suggest that digital-analog learning opens a promising path towards improved variational quantum learning experiments in the near term.
We present a Bayesian method for multivariate changepoint detection that allows for simultaneous inference on the location of a changepoint and the coefficients of a logistic regression model for distinguishing pre-changepoint data from post-changepoint data. In contrast to many methods for multivariate changepoint detection, the proposed method is applicable to data of mixed type and avoids strict assumptions regarding the distribution of the data and the nature of the change. The regression coefficients provide an interpretable description of a potentially complex change. For posterior inference, the model admits a simple Gibbs sampling algorithm based on P\'olya-gamma data augmentation. We establish conditions under which the proposed method is guaranteed to recover the true underlying changepoint. As a testing ground for our method, we consider the problem of detecting topological changes in time series of images. We demonstrate that the proposed method, combined with a novel topological feature embedding, performs well on both simulated and real image data.
This article studies the use of asymmetric loss functions for the optimal prediction of positive-valued spatial processes. We focus on the family of power-divergence loss functions due to its many convenient properties, such as its continuity, convexity, relationship to well known divergence measures, and the ability to control the asymmetry and behaviour of the loss function via a power parameter. The properties of power-divergence loss functions, optimal power-divergence (OPD) spatial predictors, and related measures of uncertainty quantification are examined. In addition, we examine the notion of asymmetry in loss functions defined for positive-valued spatial processes and define an asymmetry measure that is applied to the power-divergence loss function and other common loss functions. The paper concludes with a spatial statistical analysis of zinc measurements in the soil of a floodplain of the Meuse River, Netherlands, using OPD spatial prediction.
Stochastic Differential Equations (SDEs) serve as a powerful modeling tool in various scientific domains, including systems science, engineering, and ecological science. While the specific form of SDEs is typically known for a given problem, certain model parameters remain unknown. Efficiently inferring these unknown parameters based on observations of the state in discrete time series represents a vital practical subject. The challenge arises in nonlinear SDEs, where maximum likelihood estimation of parameters is generally unfeasible due to the absence of closed-form expressions for transition and stationary probability density functions of the states. In response to this limitation, we propose a novel two-step parameter inference mechanism. This approach involves a global-search phase followed by a local-refining procedure. The global-search phase is dedicated to identifying the domain of high-value likelihood functions, while the local-refining procedure is specifically designed to enhance the surrogate likelihood within this localized domain. Additionally, we present two simulation-based approximations for the transition density, aiming to efficiently or accurately approximate the likelihood function. Numerical examples illustrate the efficacy of our proposed methodology in achieving posterior parameter estimation.
Inquisitive modal logic, InqML, in its epistemic incarnation, extends standard epistemic logic to capture not just the information that agents have, but also the questions that they are interested in. We use the natural notion of bisimulation equivalence in the setting of InqML, as introduced in [Ciardelli/Otto: JSL 2021], to characterise the expressiveness of InqML as the bisimulation invariant fragment of first-order logic over natural classes of two-sorted first-order structures that arise as relational encodings of inquisitive epistemic (S5-like) models. The non-elementary nature of these classes crucially requires non-classical model-theoretic methods for the analysis of first-order expressiveness, irrespective of whether we aim for characterisations in the sense of classical or of finite model theory.
We derive information-theoretic generalization bounds for supervised learning algorithms based on the information contained in predictions rather than in the output of the training algorithm. These bounds improve over the existing information-theoretic bounds, are applicable to a wider range of algorithms, and solve two key challenges: (a) they give meaningful results for deterministic algorithms and (b) they are significantly easier to estimate. We show experimentally that the proposed bounds closely follow the generalization gap in practical scenarios for deep learning.
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