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In recent years, free energy perturbation (FEP) calculations have garnered increasing attention as tools to support drug discovery. The lead optimization mapper (Lomap) was proposed as an algorithm to calculate the relative free energy…
The purpose of this work is two-fold. First, we introduce an efficient homogenization-based approach to perform topology optimization of coated structures with orthotropic infill material. By making use of the relaxed design space, we can…
Finite element methods usually construct basis functions and quadrature rules for multidimensional domains via tensor products of one-dimensional counterparts. While straightforward, this approach results in integration spaces larger than…
We develop a high order cut finite element method for the Stokes problem based on general inf-sup stable finite element spaces. We focus in particular on composite meshes consisting of one mesh that overlaps another. The method is based on…
A simple and efficient interface-fitted mesh generation algorithm is developed in this paper. This algorithm can produce a local anisotropic fitting mixed mesh which consists of both triangles and quadrilaterals near the interface. A new…
Wide variety of engineering design tasks can be formulated as constrained optimization problems where the shape and topology of the domain are optimized to reduce costs while satisfying certain constraints. Several mathematical approaches…
Task And Motion Planning (TAMP) is the problem of finding a solution to an automated planning problem that includes discrete actions executable by low-level continuous motions. This field is gaining increasing interest within the robotics…
Reduced order models are computationally inexpensive approximations that capture the important dynamical characteristics of large, high-fidelity computer models of physical systems. This paper applies machine learning techniques to improve…
Gradient porous structured materials possess significant potential of being applied in many engineering fields. To accelerate the design process of infill graded microstructures, a novel asymptotic homogenisation topology optimisation…
This paper describes a node relocation algorithm based on nonlinear optimization which delivers excellent results for both unstructured and structured plane triangle meshes over convex as well as non-convex domains with high curvature. The…
We approach the Max-3-Cut problem through the lens of maximizing complex-valued quadratic forms and demonstrate that low-rank structure in the objective matrix can be exploited, leading to alternative algorithms to classical semidefinite…
We extend a localized model order reduction method for the distributed finite element solution of elliptic boundary value problems in the cloud. We give a computationally efficient technique to compute the required inner product matrices…
In this work, we develop a novel technique for reconstructing images from projection-based nano- and microtomography. Our contribution focuses on enhancing reconstruction quality, particularly for specimen composed of homogeneous material…
In this article, we propose a shape optimization algorithm which is able to handle large deformations while maintaining a high level of mesh quality. Based on the method of mappings we introduce a nonlinear extension operator, which links a…
High-order methods for convex and nonconvex optimization, particularly $p$th-order Adaptive Regularization Methods (AR$p$), have attracted significant research interest by naturally incorporating high-order Taylor models into adaptive…
Topological sorting is an important technique in numerous practical applications, such as information retrieval, recommender systems, optimization, etc. In this paper, we introduce a problem of generalized topological sorting with…
Topology optimization (TO) in two dimensions often presents a trade-off between structural performance and manufacturability, with unpenalized (variable-thickness) methods yielding superior but complex designs, and penalized (SIMP) methods…
We consider a framework for the construction of iterative schemes for operator equations that combine low-rank approximation in tensor formats and adaptive approximation in a basis. Under fairly general assumptions, we obtain a rigorous…
The main feature of large-scale multi-objective optimization problems (LSMOP) is to optimize multiple conflicting objectives while considering thousands of decision variables at the same time. An efficient LSMOP algorithm should have the…
In this paper, we introduce a \textit{Bi-level OPTimization} (BiOPT) framework for minimizing the sum of two convex functions, where both can be nonsmooth. The BiOPT framework involves two levels of methodologies. At the upper level of…