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Machine learning frameworks based on correlations of interatomic positions begin with a discretized description of the density of other atoms in the neighbourhood of each atom in the system. Symmetry considerations support the use of…
This paper presents a novel method for reformulating non-differentiable collision avoidance constraints into smooth nonlinear constraints using strong duality of convex optimization. We focus on a controlled object whose goal is to avoid…
In this work, a nonlinear momentum method is introduced to enhance the convergence performance of momentum-based gradient optimization algorithms. Classical momentum methods, such as the Heavy Ball method, can be viewed as a dynamical…
We develop a numerical homogenization method for fourth-order singular perturbation problems within the framework of heterogeneous multiscale method. These problems arise from heterogeneous strain gradient elasticity and elasticity models…
This paper proposes a scalable Bayesian optimization (BO) framework for dense base-station (BS) configuration design. BO can find an optimal BS configuration by iterating parameter search, channel simulation, and probabilistic modeling of…
We formulate a novel numerical method suitable for the solution of topology optimization problems in solid mechanics. The most salient feature of the new approach is that the space and time discrete equations of the numerical method can be…
We study bilevel optimization with a fixed polyhedral lower feasible set. Such problems are challenging for two reasons: active-set changes can make the upper objective nonsmooth, and existing hypergradient methods typically require…
In the past few years, following the differentiable programming paradigm, there has been a growing interest in computing the gradient information of physical processes (e.g., physical simulation, image rendering). However, such processes…
A novel and highly efficient computational framework for reconstructing binary-type images suitable for models of various complexity seen in diverse biomedical applications is developed and validated. Efficiency in computational speed and…
While 3D Gaussian Splatting (3DGS) excels in static scene modeling, its extension to dynamic scenes introduces significant challenges. Existing dynamic 3DGS methods suffer from either over-smoothing due to low-rank decomposition or feature…
We develop a spectral low-mode reduced solver for second-order elliptic boundary value problems with spatially varying diffusion coefficients. The approach projects standard finite difference or finite element discretization onto a global…
This paper presents an adaptive discretization strategy for level set topology optimization of structures based on hierarchical B-splines. This work focuses on the influence of the discretization approach and the adaptation strategy on the…
We propose a communication-efficient optimally structured gradient coding scheme to jointly address straggler resilience and communication efficiency in heterogeneous distributed learning. By establishing a unified framework that…
We develop a computational approach that significantly improves the efficiency of Bayesian optimal experimental design (BOED) using local radial basis functions (RBFs). The presented RBF--BOED method uses the intrinsic ability of RBFs to…
Multilevel optimization has gained renewed interest in machine learning due to its promise in applications such as hyperparameter tuning and continual learning. However, existing methods struggle with the inherent difficulty of efficiently…
In this thesis, I explore the possibilities of conducting Bayesian optimization techniques in high dimensional domains. Although high dimensional domains can be defined to be between hundreds and thousands of dimensions, we will primarily…
This work is concerned with the micro-architecture of multi-layer material that globally exhibits desired mechanical properties, for instance a negative apparent Poisson ratio. We use inverse homogenization, the level set method, and the…
This paper presents a novel phase-field-based methodology for solving minimum compliance problems in topology optimization under fixed external loads and body forces. The proposed framework characterizes the optimal structure through an…
Constrained blackbox optimization is a difficult problem, with most approaches coming from the mathematical programming literature. The statistical literature is sparse, especially in addressing problems with nontrivial constraints. This…
Functional gradients have recently experienced an explosion in activity due to advances in manufacturing, where compositions can now be spatially varied on-the-fly during fabrication. In addition, modern computational thermodynamics has…