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We here introduce a novel scheme for generating smoothly-varying infill graded microstructural (IGM) configurations from a given menu of generating cells. The scheme was originally proposed for essentially improving the variety of…

At elevated temperature environments, elastic structures experience a change of the stress-free state of the body that can strongly influence the optimal topology of the structure. This work presents level-set based topology optimization of…

Particle based optimization algorithms have recently been developed as sampling methods that iteratively update a set of particles to approximate a target distribution. In particular Stein variational gradient descent has gained attention…

Mapper, a topological algorithm, is frequently used as an exploratory tool to build a graphical representation of data. This representation can help to gain a better understanding of the intrinsic shape of high-dimensional genomic data and…

We demonstrate a new algorithm for finding protein conformations that minimize a non-bonded energy function. The new algorithm, called the difference map, seeks to find an atomic configuration that is simultaneously in two constraint…

Adaptive quantum design identifies the best broken-symmetry configurations of atoms and molecules that enable a desired target function response. In this work, numerical optimization is used to design atomic clusters with specified…

Computing atomic-scale properties of chemically disordered materials requires an efficient exploration of their vast configuration space. Traditional approaches such as Monte Carlo or Special Quasirandom Structures either entail sampling an…

Topology optimization (TO) is a family of computational methods that derive near-optimal geometries from formal problem descriptions. Despite their success, established TO methods are limited to generating single solutions, restricting the…

We present an information-based total-energy optimization method to produce nearly defect-free structural models of amorphous silicon. Using geometrical, structural and topological information from disordered tetrahedral networks, we have…

Multiscale topology optimization is crucial for designing porous infill structures with high stiffness-to-weight ratios and excellent energy absorption. Although gradient-based methods provide a rigorous framework, they are computationally…

Several types of numerical and combinatorial optimization algorithms have been used as useful tools to minimize functional forms. Generally, when those forms are non-linear or occur in problems without a specific optimization method,…

There is evidence that the self-assembly of complex molecular systems often proceeds hierarchically, by first building subunits that later assemble in larger entities, in a process that can repeat multiple times. Yet, our understanding of…

Structural optimization (topology, shapes, sizing) is an important tool for facilitating the emergence of new concepts in structural design. Normally, topology optimization is carried out at the early stage of design and then shape and…

Preparing low energy states is a central challenge in quantum computing and quantum complexity theory. Several known approaches to prepare low energy states often get stuck in suboptimal states, such as high energy eigenstates (or low…

The dynamics of amorphous silicon at low temperatures can be characterized by a sequence of discrete activated events, through which the topological network is locally reorganized. Using the activation-relaxation technique, we create more…

This study proposes a methodology to utilize machine learning (ML) for topology optimization of periodic lattice structures. In particular, we investigate data representation of lattice structures used as input data for ML models to improve…

In this paper we define a discrete dynamical system that governs the evolution of a population of agents. From the dynamical system, a variant of Differential Evolution is derived. It is then demonstrated that, under some assumptions on the…

We discuss a novel genetic algorithm that can be used to find global minima on the potential energy surface of disordered ceramics and alloys using a real-space symmetry adapted crossover. Due to a high number of symmetrically equivalent…

Topology design optimization offers tremendous opportunity in design and manufacturing freedoms by designing and producing a part from the ground-up without a meaningful initial design as required by conventional shape design optimization…

This paper defines the basis of a new hierarchical framework for segmentation algorithms based on energy minimization schemes. This new framework is based on two formal tools. First, a combinatorial pyramid encode efficiently a hierarchy of…