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Microstructure reconstruction, a major component of inverse computational materials engineering, is currently advancing at an unprecedented rate. While various training-based and training-free approaches are developed, the majority of…

Materials Science · Physics 2022-11-28 Christian Düreth , Paul Seibert , Dennis Rücker , Stephanie Handford , Markus Kästner , Maik Gude

While the forward and backward modeling of the process-structure-property chain has received a lot of attention from the materials community, fewer efforts have taken into consideration uncertainties. Those arise from a multitude of sources…

Machine Learning · Statistics 2021-08-06 Maximilian Rixner , Phaedon-Stelios Koutsourelakis

Multidimensional scaling (MDS) is a popular dimensionality reduction techniques that has been widely used for network visualization and cooperative localization. However, the traditional stress minimization formulation of MDS necessitates…

Optimization and Control · Mathematics 2016-12-22 Ketan Rajawat , Sandeep Kumar

We present new algorithms for computing and approximating bisimulation metrics in Markov Decision Processes (MDPs). Bisimulation metrics are an elegant formalism that capture behavioral equivalence between states and provide strong…

Machine Learning · Computer Science 2019-11-22 Pablo Samuel Castro

Recent research in decision theoretic planning has focussed on making the solution of Markov decision processes (MDPs) more feasible. We develop a family of algorithms for structured reachability analysis of MDPs that are suitable when an…

Artificial Intelligence · Computer Science 2013-04-24 Craig Boutilier , Ronen I. Brafman , Christopher W. Geib

Owing to the advances in computational techniques and the increase in computational power, atomistic simulations of materials can simulate large systems with higher accuracy. Complex phenomena can be observed in such state-of-the-art…

Materials Science · Physics 2022-02-16 Ryo Tamura , Momo Matsuda , Jianbo Lin , Yasunori Futamura , Tetsuya Sakurai , Tsuyoshi Miyazaki

One of the fundamental steps toward understanding a complex system is identifying variation at the scale of the system's components that is most relevant to behavior on a macroscopic scale. Mutual information provides a natural means of…

Machine Learning · Computer Science 2024-03-20 Kieran A. Murphy , Dani S. Bassett

Learning shared structure across environments facilitates rapid learning and adaptive behavior in neural systems. This has been widely demonstrated and applied in machine learning to train models that are capable of generalizing to novel…

Machine Learning · Statistics 2025-04-09 Ayesha Vermani , Josue Nassar , Hyungju Jeon , Matthew Dowling , Il Memming Park

Scientists use imaging to identify objects of interest and infer properties of these objects. The locations of these objects are often measured with error, which when ignored leads to biased parameter estimates and inflated variance.…

Microstructured materials, such as architected metamaterials and phononic crystals, exhibit complex wave propagation phenomena due to their internal structure. While full-scale numerical simulations can capture these effects, they are…

Computational Physics · Physics 2025-05-21 Gianluca Rizzi , Angela Madeo

Estimation of mutual information between (multidimensional) real-valued variables is used in analysis of complex systems, biological systems, and recently also quantum systems. This estimation is a hard problem, and universally good…

Quantitative Methods · Quantitative Biology 2019-08-14 Caroline M. Holmes , Ilya Nemenman

Conventionally, the dynamic state estimation of variables in power networks is performed based on the forecasting-aided model of bus voltages. This approach is effective in the stiff grids at the transmission level, where the bus voltages…

Systems and Control · Electrical Eng. & Systems 2021-10-26 Bang L. H. Nguyen , Tuyen V. Vu , Thomas H. Ortmeyer , Tuan Ngo

Physically motivated stochastic dynamics are often used to sample from high-dimensional distributions. However such dynamics often get stuck in specific regions of their state space and mix very slowly to the desired stationary state. This…

Machine Learning · Statistics 2025-05-13 Abhijith Jayakumar , Andrey Y. Lokhov , Sidhant Misra , Marc Vuffray

In quality control, microstructures are investigated rigorously to ensure structural integrity, exclude the presence of critical volume defects, and validate the formation of the target microstructure. For quenched,…

Materials Science · Physics 2023-06-02 Ali Riza Durmaz , Sai Teja Potu , Daniel Romich , Johannes Möller , Ralf Nützel

Parametric system identification methods estimate the parameters of explicitly defined physical systems from data. Yet, they remain constrained by the need to provide an explicit function space, typically through a predefined library of…

Machine Learning · Computer Science 2026-03-17 Markus W. Baumgartner , Anson Lei , Joe Watson , Ingmar Posner

In this paper we present a mixed projection- and density-based topology optimization approach. The aim is to combine the benefits of both parametrizations: the explicit geometric representation provides specific controls on certain design…

Computational Engineering, Finance, and Science · Computer Science 2019-10-09 Nicolò Pollini , Oded Amir

The physical sciences are replete with dynamical systems that require the resolution of a wide range of length and time scales. This presents significant computational challenges since direct numerical simulation requires discretization at…

Machine Learning · Computer Science 2025-11-11 Andrew F. Ilersich , Prasanth B. Nair

The relentless pursuit of miniaturization and performance enhancement in electronic devices has led to a fundamental challenge in the field of circuit design and simulation: how to accurately account for the inherent stochastic nature of…

Machine Learning · Computer Science 2023-11-13 Jack Hutchins , Shamiul Alam , Dana S. Rampini , Bakhrom G. Oripov , Adam N. McCaughan , Ahmedullah Aziz

Convolutional neural networks are increasingly being used to analyze and classify material microstructures, motivated by the possibility that they will be able to identify relevant microstructural features more efficiently and impartially…

Computational Physics · Physics 2026-01-01 Shrunal Pothagoni , Dylan Miley , Tyrus Berry , Jeremy K. Mason , Benjamin Schweinhart

Quantifying the relationship between geometric descriptors of microstructure and effective properties like permeability is essential for understanding and improving the behavior of porous materials. In this paper, we employ a previously…

Materials Science · Physics 2023-11-27 Matthias Weber , Andreas Grießer , Dennis Mosbach , Erik Glatt , Andreas Wiegmann , Volker Schmidt
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