Related papers: Perspective: Inverse methods for material design
Reverse engineering is a complex process essential to software-security tasks such as vulnerability discovery and malware analysis. Significant research and engineering effort has gone into developing tools to support reverse engineers.…
Materials informatics offers a promising pathway towards rational materials design, replacing the current trial-and-error approach and accelerating the development of new functional materials. Through the use of sophisticated data analysis…
We put forward reverse engineering protocols to shape in time the components of the magnetic field to manipulate a single spin, two independent spins with different gyromagnetic factors, and two interacting spins in short amount of times.…
This user manual is intended to provide a detailed description on model-based optimization for imaging inverse problem. Theseproblems can be particularly complex and challenging, especially for individuals without prior exposure to convex…
We present a matrix-based algorithm for deciding if the parametrization of a curve or a surface is invertible or not, and for computing the inverse of the parametrization if it exists.
Solving inverse problems requires the knowledge of the forward operator, but accurate models can be computationally expensive and hence cheaper variants that do not compromise the reconstruction quality are desired. This chapter reviews…
Recently the field of inverse problems has seen a growing usage of mathematically only partially understood learned and non-learned priors. Based on first principles, we develop a projectional approach to inverse problems that addresses the…
Inverse material design is a cornerstone challenge in materials science, with significant applications across many industries. Traditional approaches that invert the structure-property (SP) linkage to identify microstructures with targeted…
We present a geometric framework for the inverse design of smart woven fabrics composed of non-uniformly shrinking threads. A sufficiently tight weaving structure imposes strong local criteria on the material deformation and reduces the…
In an expansion of a previous study [1], we apply inverse design methods to produce two-dimensional plasma metamaterial devices with realistic plasma elements which incorporate quartz envelopes, collisionality (loss), non-uniform density…
Computer-driven molecular design combines the principles of chemistry, physics, and artificial intelligence to identify novel chemical compounds and materials with desired properties for a specific application. In particular,…
Numerical optimization for the inverse design of photonic structures is a tool which is providing increasingly convincing results -- even though the wave nature of problems in photonics makes them particularly complex. In the meantime, the…
Reverse engineering can be used to derive a 3D model of an existing physical part when such a model is not readily available. For parts that will be fabricated with subtractive and formative manufacturing processes, existing reverse…
We propose an inverse-design approach for computational spectrometers in which the scattering media are topology-optimized to achieve better performance in inference of unknown spectra. Unlike traditional end-to-end approaches, our inverse…
Characterization of the deformation of materials across different length scales has continuously attracted enormous attention from the mechanics and materials communities. In this study, the possibility of utilizing a computer vision…
We present the first framework to solve linear inverse problems leveraging pre-trained latent diffusion models. Previously proposed algorithms (such as DPS and DDRM) only apply to pixel-space diffusion models. We theoretically analyze our…
Inverse rendering, the process of inferring scene properties from images, is a challenging inverse problem. The task is ill-posed, as many different scene configurations can give rise to the same image. Most existing solutions incorporate…
An inverse way to define the parameters of ideal cylindrical cloaks is developed, in which the interconnection between the parameters is revealed for the first time without knowing a specific coordinate transformation. The required…
In this paper, we review some recent work on amorphous materials using current "first principles" electronic structure/molecular dynamics techniques. The main theme of the paper is to emphasize new directions in the use of such ab initio…
Fueled by the widespread adoption of Machine Learning (ML) and the high-throughput screening of materials, the data-centric approach to materials design has asserted itself as a robust and powerful tool for the in-silico prediction of…