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This work presents a nonintrusive physics-preserving method to learn reduced-order models (ROMs) of Lagrangian systems, which includes nonlinear wave equations. Existing intrusive projection-based model reduction approaches construct structure-preserving Lagrangian ROMs by projecting the Euler-Lagrange equations of the full-order model (FOM) onto a linear subspace. This Galerkin projection step requires complete knowledge about the Lagrangian operators in the FOM and full access to manipulate the computer code. In contrast, the proposed Lagrangian operator inference approach embeds the mechanics into the operator inference framework to develop a data-driven model reduction method that preserves the underlying Lagrangian structure. The proposed approach exploits knowledge of the governing equations (but not their discretization) to define the form and parametrization of a Lagrangian ROM which can then be learned from projected snapshot data. The method does not require access to FOM operators or computer code. The numerical results demonstrate Lagrangian operator inference on an Euler-Bernoulli beam model, the sine-Gordon (nonlinear) wave equation, and a large-scale discretization of a soft robot fishtail with 779,232 degrees of freedom. The learned Lagrangian ROMs generalize well, as they can accurately predict the physical solutions both far outside the training time interval, as well as for unseen initial conditions.

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ACM/IEEE第23屆模型驅動工程語言和系統國際會議,是模型驅動軟件和系統工程的首要會議系列,由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來,模型涵蓋了建模的各個方面,從語言和方法到工具和應用程序。模特的參加者來自不同的背景,包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇,參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會,并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。 官網鏈接: · 時間步 · AIM · 穩健性 · MoDELS ·
2024 年 5 月 27 日

The aim of the present work is to design, analyze theoretically, and test numerically, a generalized Dryja-Smith-Widlund (GDSW) preconditioner for composite Discontinuous Galerkin discretizations of multicompartment parabolic reaction-diffusion equations, where the solution can exhibit natural discontinuities across the domain. We prove that the resulting preconditioned operator for the solution of the discrete system arising at each time step converges with a scalable and quasi-optimal upper bound for the condition number. The GDSW preconditioner is then applied to the EMI (Extracellular - Membrane - Intracellular) reaction-diffusion system, recently proposed to model microscopically the spatiotemporal evolution of cardiac bioelectrical potentials. Numerical tests validate the scalability and quasi-optimality of the EMI-GDSW preconditioner, and investigate its robustness with respect to the time step size as well as jumps in the diffusion coefficients.

This paper presents a novel simplification calculus for propositional logic derived from Peirce's existential graphs' rules of inference and implication graphs. Our rules can be applied to propositional logic formulae in nested form, are equivalence-preserving, guarantee a monotonically decreasing number of variables, clauses and literals, and maximise the preservation of structural problem information. Our techniques can also be seen as higher-level SAT preprocessing, and we show how one of our rules (TWSR) generalises and streamlines most of the known equivalence-preserving SAT preprocessing methods. In addition, we propose a simplification procedure based on the systematic application of two of our rules (EPR and TWSR) which is solver-agnostic and can be used to simplify large Boolean satisfiability problems and propositional formulae in arbitrary form, and we provide a formal analysis of its algorithmic complexity in terms of space and time. Finally, we show how our rules can be further extended with a novel n-ary implication graph to capture all known equivalence-preserving preprocessing procedures.

This work is concerned with the construction and analysis of structure-preserving Galerkin methods for computing the dynamics of rotating Bose-Einstein condensate (BEC) based on the Gross-Pitaevskii equation with angular momentum rotation. Due to the presence of the rotation term, constructing finite element methods (FEMs) that preserve both mass and energy remains an unresolved issue, particularly in the context of nonconforming FEMs. Furthermore, in comparison to existing works, we provide a comprehensive convergence analysis, offering a thorough demonstration of the methods' optimal and high-order convergence properties. Finally, extensive numerical results are presented to check the theoretical analysis of the structure-preserving numerical method for rotating BEC, and the quantized vortex lattice's behavior is scrutinized through a series of numerical tests.

This paper focuses on the numerical scheme for delay-type stochastic McKean-Vlasov equations (DSMVEs) driven by fractional Brownian motion with Hurst parameter $H\in (0,1/2)\cup (1/2,1)$. The existence and uniqueness of the solutions to such DSMVEs whose drift coefficients contain polynomial delay terms are proved by exploting the Banach fixed point theorem. Then the propagation of chaos between interacting particle system and non-interacting system in $\mathcal{L}^p$ sense is shown. We find that even if the delay term satisfies the polynomial growth condition, the unmodified classical Euler-Maruyama scheme still can approximate the corresponding interacting particle system without the particle corruption. The convergence rates are revealed for $H\in (0,1/2)\cup (1/2,1)$. Finally, as an example that closely fits the original equation, a stochastic opinion dynamics model with both extrinsic memory and intrinsic memory is simulated to illustrate the plausibility of the theoretical result.

This paper proposes two innovative vector transport operators, leveraging the Cayley transform, for the generalized Stiefel manifold embedded with a non-standard metric. Specifically, it introduces the differentiated retraction and an approximation of the Cayley transform to the differentiated matrix exponential. These vector transports are demonstrated to satisfy the Ring-Wirth non-expansive condition under non-standard metrics, and one of them is also isometric. Building upon the novel vector transport operators, we extend the modified Polak-Ribi$\grave{e}$re-Polyak (PRP) conjugate gradient method to the generalized Stiefel manifold. Under a non-monotone line search condition, we prove our algorithm globally converges to a stationary point. The efficiency of the proposed vector transport operators is empirically validated through numerical experiments involving generalized eigenvalue problems and canonical correlation analysis.

We present a novel method for training score-based generative models which uses nonlinear noising dynamics to improve learning of structured distributions. Generalizing to a nonlinear drift allows for additional structure to be incorporated into the dynamics, thus making the training better adapted to the data, e.g., in the case of multimodality or (approximate) symmetries. Such structure can be obtained from the data by an inexpensive preprocessing step. The nonlinear dynamics introduces new challenges into training which we address in two ways: 1) we develop a new nonlinear denoising score matching (NDSM) method, 2) we introduce neural control variates in order to reduce the variance of the NDSM training objective. We demonstrate the effectiveness of this method on several examples: a) a collection of low-dimensional examples, motivated by clustering in latent space, b) high-dimensional images, addressing issues with mode collapse, small training sets, and approximate symmetries, the latter being a challenge for methods based on equivariant neural networks, which require exact symmetries.

Probabilistic graphical models are widely used to model complex systems under uncertainty. Traditionally, Gaussian directed graphical models are applied for analysis of large networks with continuous variables as they can provide conditional and marginal distributions in closed form simplifying the inferential task. The Gaussianity and linearity assumptions are often adequate, yet can lead to poor performance when dealing with some practical applications. In this paper, we model each variable in graph G as a polynomial regression of its parents to capture complex relationships between individual variables and with a utility function of polynomial form. We develop a message-passing algorithm to propagate information throughout the network solely using moments which enables the expected utility scores to be calculated exactly. Our propagation method scales up well and enables to perform inference in terms of a finite number of expectations. We illustrate how the proposed methodology works with examples and in an application to decision problems in energy planning and for real-time clinical decision support.

We present a new technique for visualizing high-dimensional data called cluster MDS (cl-MDS), which addresses a common difficulty of dimensionality reduction methods: preserving both local and global structures of the original sample in a single 2-dimensional visualization. Its algorithm combines the well-known multidimensional scaling (MDS) tool with the $k$-medoids data clustering technique, and enables hierarchical embedding, sparsification and estimation of 2-dimensional coordinates for additional points. While cl-MDS is a generally applicable tool, we also include specific recipes for atomic structure applications. We apply this method to non-linear data of increasing complexity where different layers of locality are relevant, showing a clear improvement in their retrieval and visualization quality.

Multi-index models -- functions which only depend on the covariates through a non-linear transformation of their projection on a subspace -- are a useful benchmark for investigating feature learning with neural networks. This paper examines the theoretical boundaries of learnability in this hypothesis class, focusing particularly on the minimum sample complexity required for weakly recovering their low-dimensional structure with first-order iterative algorithms, in the high-dimensional regime where the number of samples is $n=\alpha d$ is proportional to the covariate dimension $d$. Our findings unfold in three parts: (i) first, we identify under which conditions a \textit{trivial subspace} can be learned with a single step of a first-order algorithm for any $\alpha\!>\!0$; (ii) second, in the case where the trivial subspace is empty, we provide necessary and sufficient conditions for the existence of an {\it easy subspace} consisting of directions that can be learned only above a certain sample complexity $\alpha\!>\!\alpha_c$. The critical threshold $\alpha_{c}$ marks the presence of a computational phase transition, in the sense that no efficient iterative algorithm can succeed for $\alpha\!<\!\alpha_c$. In a limited but interesting set of really hard directions -- akin to the parity problem -- $\alpha_c$ is found to diverge. Finally, (iii) we demonstrate that interactions between different directions can result in an intricate hierarchical learning phenomenon, where some directions can be learned sequentially when coupled to easier ones. Our analytical approach is built on the optimality of approximate message-passing algorithms among first-order iterative methods, delineating the fundamental learnability limit across a broad spectrum of algorithms, including neural networks trained with gradient descent.

Score-based generative models (SGMs) aim at estimating a target data distribution by learning score functions using only noise-perturbed samples from the target.Recent literature has focused extensively on assessing the error between the target and estimated distributions, gauging the generative quality through the Kullback-Leibler (KL) divergence and Wasserstein distances. Under mild assumptions on the data distribution, we establish an upper bound for the KL divergence between the target and the estimated distributions, explicitly depending on any time-dependent noise schedule. Under additional regularity assumptions, taking advantage of favorable underlying contraction mechanisms, we provide a tighter error bound in Wasserstein distance compared to state-of-the-art results. In addition to being tractable, this upper bound jointly incorporates properties of the target distribution and SGM hyperparameters that need to be tuned during training.

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