A locally-built, LLM-digested index of recent arXiv papers in quant finance, geometry/topology, and statistical ML — keyword search served straight from SQLite on this machine.
Efficiently estimates material parameter space with multifidelity Gaussian process modeling.
GPR enhances materials discovery by automating parameter space exploration.
The optimization of composition and processing to obtain materials that exhibit desirable characteristics has historically relied on a combination of scientist intuition, trial and error, and luck. We propose a methodology that can accelerate this process by fitting data-driven models to experimental data as it is coll…
A new method distills material models from noisy data without prior selection.
FlowLLM uses LLMs and flow matching to efficiently generate novel materials.
We address a non-unique parameter fitting problem in the context of material science. In particular, we propose to resolve ambiguities in parameter space by augmenting a black-box artificial neural network (ANN) model with two different levels of expert knowledge and benchmark them against a pure black-box model.
Computer model calibration typically operates by choosing parameter values in a computer model so that the model output faithfully predicts reality. By using performance targets in place of observed data, we show that calibration techniques can be repurposed to wed engineering and material design, two processes that ar…
We consider the problem of recovering material parameters in a transversely isotropic medium from the qP and qSV waves' travel times, given the axis of isotropy and the material parameters associated to the qSH wave speed. The operators obtained from the pseudolinearization argument are of parabolic type, and so we dis…
Machine learning uncovers hidden correlations in granular material behavior.
4-dim intrinsic (material) Riemannian metric of the material 4-D space-time continuum is utilized as the characteristic of the aging processes developing in the material. Manifested through variation of basic material characteristics such as density, moduli of elasticity, yield stress, strength, and toughness.,…
A major challenge in materials design is how to efficiently search the vast chemical design space to find the materials with desired properties. One effective strategy is to develop sampling algorithms that can exploit both explicit chemical knowledge and implicit composition rules embodied in the large materials datab…
Integrated Computational Materials Engineering (ICME) aims to accelerate optimal design of complex material systems by integrating material science and design automation. For tractable ICME, it is required that (1) a structural feature space be identified to allow reconstruction of new designs, and (2) the reconstructi…
In this paper we show that in anisotropic elasticity, in the particular case of transversely isotropic media, under appropriate convexity conditions, knowledge of the qSH wave travel times determines the tilt of the axis of isotropy as well as some of the elastic material parameters, and the knowledge of qP and qSV tra…
Microscopic (pore-scale) properties of porous media affect and often determine their macroscopic (continuum- or Darcy-scale) counterparts. Understanding the relationship between processes on these two scales is essential to both the derivation of macroscopic models of, e.g., transport phenomena in natural porous media,…
Gryffin optimizes categorical variables in materials design, leveraging expert knowledge.
Method detects effects of synthesis parameters on plutonium oxide microstructure.
Materials discovery is crucial for making scientific advances in many domains. Collections of data from experiments and first-principle computations have spurred interest in applying machine learning methods to create predictive models capable of mapping from composition and crystal structures to materials properties. …
We present a learning-based system for rapid mass-scale material synthesis that is useful for novice and expert users alike. The user preferences are learned via Gaussian Process Regression and can be easily sampled for new recommendations. Typically, each recommendation takes 40-60 seconds to render with global illumi…
Smectic liquid crystals are materials formed by stacking deformable, fluid layers. Though smectics prefer to have flat, uniformly-spaced layers, boundary conditions can impose curvature on the layers. Since the layer spacing and curvature are intertwined, the problem of finding minimal configurations for the layers bec…
Bayesian neural networks with functional priors improve surrogate modeling in mechanics.
CRYSPNet predicts crystal structures from chemical compositions.
Materials design can be cast as an optimization problem with the goal of achieving desired properties, by varying material composition, microstructure morphology, and processing conditions. Existence of both qualitative and quantitative material design variables leads to disjointed regions in property space, making the…
Paper optimizes material microstructures with limited data using probabilistic methods.
Computational materials screening studies require fast calculation of the properties of thousands of materials. The calculations are often performed with Density Functional Theory (DFT), but the necessary computer time sets limitations for the investigated material space. Therefore, the development of machine learning …
Imaging techniques are essential tools for inquiring a number of properties from different materials. Liquid crystals are often investigated via optical and image processing methods. In spite of that, considerably less attention has been paid to the problem of extracting physical properties of liquid crystals directly …
Generative model calibrates 3D battery cathode morphologies from 2D images.
Unified framework for non-uniform materials evolving over time.
Model for material elasticity and plasticity using networks.
New method finds graphene nanocrystals with reduced DFT calculations.
A new method optimizes material discovery by balancing exploration and exploitation.
Paper proposes a new method for designing materials using deep learning.
New method uses broken scattering to uniquely identify Finsler manifolds.
Bayesian optimization reduces materials design costs by 10x.
A field theory is constructed in the context of parameterized absolute parallelism geometry. The theory is shown to be a pure gravity one. It is capable of describing the gravitational field and a material distribution in terms of the geometric structure of the geometry used (the parallelization vector fields). Three t…
Bayesian neural networks predict stress fields and uncertainty in materials.
Advances in robotics, artificial intelligence, and machine learning are ushering in a new age of automation, as machines match or outperform human performance. Machine intelligence can enable businesses to improve performance by reducing errors, improving sensitivity, quality and speed, and in some cases achieving outc…
PANIS learns PDE surrogates for heterogeneous materials without solving the PDE.
A groupoid called material groupoid is naturally associated to any simple body . The material distribution is introduced due to the (possible) lack of differentiability of the material groupoid. Thus, the inclusion of these new objects in the theory of material bodies opens th…
Dual energy computed tomography (DECT) imaging plays an important role in advanced imaging applications due to its material decomposition capability. Image-domain decomposition operates directly on CT images using linear matrix inversion, but the decomposed material images can be severely degraded by noise and artifact…
Develops a nonlocal PINN framework using PDDO for better solution of PDEs with sharp gradients.
Paper proposes PCA-GMM for efficient superresolution of material images.
This work incorporates topological features via persistence diagrams to classify point cloud data arising from materials science. Persistence diagrams are multisets summarizing the connectedness and holes of given data. A new distance on the space of persistence diagrams generates relevant input features for a classifi…
A Lie groupoid, called \textit{material Lie groupoid}, is associated in a natural way to any elastic material. The corresponding Lie algebroid, called \textit{material algebroid}, is used to characterize the uniformity and the homogeneity properties of the material. The relation to previous results in terms of stru…
Poyiadjis et al. (2011) show how particle methods can be used to estimate both the score and the observed information matrix for state space models. These methods either suffer from a computational cost that is quadratic in the number of particles, or produce estimates whose variance increases quadratically with the am…
Future advancement of engineering applications is dependent on design of novel materials with desired properties. Enormous size of known chemical space necessitates use of automated high throughput screening to search the desired material. The high throughput screening uses quantum chemistry calculations to predict mat…
Design of printed circuit board (PCB) stack-up requires the consideration of characteristic impedance, insertion loss and crosstalk. As there are many parameters in a PCB stack-up design, the optimization of these parameters needs to be efficient and accurate. A less optimal stack-up would lead to expensive PCB materia…
Recognizing an object's material can inform a robot on the object's fragility or appropriate use. To estimate an object's material during manipulation, many prior works have explored the use of haptic sensing. In this paper, we explore a technique for robots to estimate the materials of objects using spectroscopy. We d…
Paper introduces ML tools for guided wave behaviour in composite materials.