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The ability to control forces between sub-micron-scale building blocks offers considerable potential for designing new materials through self-assembly. A typical paradigm is to first identify a particular (crystal) structure that has some…

Soft Condensed Matter · Physics 2024-04-24 Mengjie Zu , Carl Goodrich

One emerging approach for the fabrication of complex architectures on the nanoscale is to utilize particles customized to intrinsically self-assemble into a desired structure. Inverse methods of statistical mechanics have proven…

Materials Science · Physics 2017-09-08 R. B. Jadrich , B. A. Lindquist , T. M. Truskett

The paper presents a new formal way of modeling and designing reconfigurable robots, in which case the robots are allowed to reconfigure not only structurally but also functionally. We call such kind of robots "self-evolvable", which have…

Robotics · Computer Science 2017-02-15 Gang Chen , Zhaodan Kong

Using large deviation theory and principles of stochastic optimal control, we show that rare molecular dynamics trajectories conditioned on assembling a specific target structure encode a set of interactions and external forces that lead to…

Soft Condensed Matter · Physics 2021-01-14 Avishek Das , David T. Limmer

Reachability analysis is a powerful tool when it comes to capturing the behaviour, thus verifying the safety, of autonomous systems. However, general-purpose methods, such as Hamilton-Jacobi approaches, suffer from the curse of…

Optimization and Control · Mathematics 2022-10-27 Alessandro Alla , Peter M. Dower , Vincent Liu

The inverse problem of designing component interactions to target emergent structure is fundamental to numerous applications in biotechnology, materials science, and statistical physics. Equally important is the inverse problem of designing…

Computational Physics · Physics 2020-11-20 Carl P. Goodrich , Ella M. King , Samuel S. Schoenholz , Ekin D. Cubuk , Michael Brenner

In distributed storage systems built using commodity hardware, it is necessary to have data redundancy in order to ensure system reliability. In such systems, it is also often desirable to be able to quickly repair storage nodes that fail.…

Information Theory · Computer Science 2012-01-24 Joseph C. Koo , John Gill

Block copolymer self-assembly is a fundamental process in which incompatible blocks spontaneously form organized microstructures with broad practical applications. Classical understanding is that the domain spacing is limited by the contour…

Soft Condensed Matter · Physics 2022-06-28 Shifeng Nian , Zhouhao Fan , Guillaume Freychet , Mikhail Zhernenkov , Stefanie Redemann , Li-Heng Cai

Despite the numerous uses of semidefinite programming (SDP) and its universal solvability via interior point methods (IPMs), it is rarely applied to practical large-scale problems. This mainly owes to the computational cost of IPMs that…

Optimization and Control · Mathematics 2024-03-19 Yifan Ran , Stefan Vlaski , Wei Dai

The ability to accurately quantify the performance an additively manufactured (AM) product is important for a widespread industry adoption of AM as the design is required to: (1) satisfy geometrical constraints, (2) satisfy structural…

Computational Engineering, Finance, and Science · Computer Science 2018-11-05 Erva Ulu

Controlling the topology of structures self-assembled from a set of heterogeneous building blocks is highly desirable for many applications, but is poorly understood theoretically. Here we show that the thermodynamic theory of self-assembly…

Soft Condensed Matter · Physics 2021-03-04 Andrei A. Klishin , Michael P. Brenner

Generative molecular design has moved from proof-of-concept to real-world applicability, as marked by the surge in very recent papers reporting experimental validation. Key challenges in explainability and sample efficiency present…

Biomolecules · Quantitative Biology 2024-03-05 Jeff Guo , Philippe Schwaller

Symbolic regression that aims to detect underlying data-driven models has become increasingly important for industrial data analysis. For most existing algorithms such as genetic programming (GP), the convergence speed might be too slow for…

Neural and Evolutionary Computing · Computer Science 2017-10-31 Chen Chen , Changtong Luo , Zonglin Jiang

Data-driven modeling plays an increasingly important role in different areas of engineering. For most of existing methods, such as genetic programming (GP), the convergence speed might be too slow for large scale problems with a large…

Optimization and Control · Mathematics 2017-06-29 Chen Chen , Changtong Luo , Zonglin Jiang

Learning-enabled planning and control algorithms are increasingly popular, but they often lack rigorous guarantees of performance or safety. We introduce an algorithm for computing underapproximate backward reachable sets of nonlinear…

Artificial Intelligence · Computer Science 2025-05-07 Chelsea Sidrane , Jana Tumova

Time-series information needs to be incorporated into energy system optimization to account for the uncertainty of renewable energy sources. Typically, time-series aggregation methods are used to reduce historical data to a few…

Optimization and Control · Mathematics 2025-05-22 Moritz Wedemeyer , Eike Cramer , Alexander Mitsos , Manuel Dahmen

Harnessing the rich nonlinear dynamics of highly-deformable materials has the potential to unlock the next generation of functional smart materials and devices. However, unlocking such potential requires effective strategies to spatially…

One of the major limitations for the employment of model-based planning and scheduling in practical applications is the need of costly re-planning when an incongruence between the observed reality and the formal model is encountered during…

Artificial Intelligence · Computer Science 2019-11-19 Michael Cashmore , Alessandro Cimatti , Daniele Magazzeni , Andrea Micheli , Parisa Zehtabi

We show that standard ResNet architectures can be made invertible, allowing the same model to be used for classification, density estimation, and generation. Typically, enforcing invertibility requires partitioning dimensions or restricting…

Machine Learning · Computer Science 2019-05-21 Jens Behrmann , Will Grathwohl , Ricky T. Q. Chen , David Duvenaud , Jörn-Henrik Jacobsen

Despite recent progress in our understanding of complex dynamic networks, it remains challenging to devisesufficiently accurate models to observe, control or predict the state of real systems in biology, economics or other fields. A largely…

Dynamical Systems · Mathematics 2019-12-11 Dominik Kahl , Philipp Wendland , Matthias Neidhardt , Andreas Weber , Maik Kschischo