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Inverse design can be a useful strategy for discovering interactions that drive particles to spontaneously self-assemble into a desired structure. Here, we extend an inverse design methodology--relative entropy optimization--to determine…

Soft Condensed Matter · Physics 2018-03-16 William D. Piñeros , Beth A. Lindquist , Ryan B. Jadrich , Thomas M. Truskett

Inverse design problems are common in engineering and materials science. The forward direction, i.e., computing output quantities from design parameters, typically requires running a numerical simulation, such as a FEM, as an intermediate…

Machine Learning · Computer Science 2026-02-18 Jens U. Kreber , Christian Weißenfels , Joerg Stueckler

The design automation of analog circuits is a longstanding challenge in the integrated circuit field. This paper presents a deep reinforcement learning method to expedite the design of analog circuits at the pre-layout stage, where the goal…

Machine Learning · Computer Science 2022-03-01 Weidong Cao , Mouhacine Benosman , Xuan Zhang , Rui Ma

Demonstrations are commonly used to speed up the learning process of Deep Reinforcement Learning algorithms. To cope with the difficulty of accessing multiple demonstrations, some algorithms have been developed to learn from a single…

Robotics · Computer Science 2024-02-15 Alexandre Chenu , Olivier Serris , Olivier Sigaud , Nicolas Perrin-Gilbert

We introduce Diffusion Active Learning, a novel approach that combines generative diffusion modeling with data-driven sequential experimental design to adaptively acquire data for inverse problems. Although broadly applicable, we focus on…

Machine Learning · Computer Science 2025-04-07 Luis Barba , Johannes Kirschner , Tomas Aidukas , Manuel Guizar-Sicairos , Benjamín Béjar

Inverse design, the process of matching a device or process parameters to exhibit a desired performance, is applied in many disciplines ranging from material design over chemical processes and to engineering. Machine learning has emerged as…

Machine Learning · Computer Science 2022-08-31 Michel Frising , Jorge Bravo-Abad , Ferry Prins

Designers of AI agents often iterate on the reward function in a trial-and-error process until they get the desired behavior, but this only guarantees good behavior in the training environment. We propose structuring this process as a…

Machine Learning · Computer Science 2023-10-17 Sören Mindermann , Rohin Shah , Adam Gleave , Dylan Hadfield-Menell

This note proposes a distributed model predictive control (DMPC) scheme with switched cost functions for a class of spatially interconnected systems with communication constraints. Non-iterative and parallel communication strategy is…

Optimization and Control · Mathematics 2017-06-06 Peng Liu , Umit Ozguner

Mechanism design is essentially reverse engineering of games and involves inducing a game among strategic agents in a way that the induced game satisfies a set of desired properties in an equilibrium of the game. Desirable properties for a…

Computer Science and Game Theory · Computer Science 2026-03-06 V. Udaya Sankar , Vishisht Srihari Rao , Mayank Ratan Bhardwaj , Y. Narahari

This paper presents a distributed data-driven predictive control (DDPC) approach using the behavioral framework. It aims to design a network of controllers for an interconnected system with linear time-invariant (LTI) subsystems such that a…

Systems and Control · Electrical Eng. & Systems 2024-02-15 Yitao Yan , Jie Bao , Biao Huang

Floorplanning determines the coordinate and shape of each module in Integrated Circuits. With the scaling of technology nodes, in floorplanning stage especially 3D scenarios with multiple stacked layers, it has become increasingly…

Hardware Architecture · Computer Science 2026-05-27 Ruizhe Zhong , Xingbo Du , Junchi Yan

The inverse design of RNA three-dimensional (3D) structures is crucial for engineering functional RNAs in synthetic biology and therapeutics. While recent deep learning approaches have advanced this field, they are typically optimized and…

Machine Learning · Computer Science 2026-05-11 Tianmeng Hu , Yongzheng Cui , Biao Luo , Ke Li

Recent years have witnessed the rapid advancement of understanding the control mechanism of networked dynamical systems (NDSs), which are governed by components such as nodal dynamics and topology. This paper reveals that the critical…

Systems and Control · Electrical Eng. & Systems 2025-05-09 Yushan Li , Jianping He , Dimos V. Dimarogonas

Disordered metamaterials are promising for programming physical properties across diverse applications, yet their inverse design remains challenging due to the non-intuitive structure-property relationships and large design spaces. Recent…

Computational Engineering, Finance, and Science · Computer Science 2026-03-18 Ziyuan Xie , Weipeng Xu , Dazhi Zhao , Wenchang Zhang , Daoyang Dong , Bingbing Xu , Ning Liu , Sheng Mao , Tianju Xue

Transfer learning aims to learn robust classifiers for the target domain by leveraging knowledge from a source domain. Since the source and the target domains are usually from different distributions, existing methods mainly focus on…

Machine Learning · Computer Science 2019-09-19 Jindong Wang , Yiqiang Chen , Wenjie Feng , Han Yu , Meiyu Huang , Qiang Yang

Finding new superconductors with a high critical temperature ($T_c$) has been a challenging task due to computational and experimental costs. We present a diffusion model inspired by the computer vision community to generate new…

Superconductivity · Physics 2023-07-28 Daniel Wines , Tian Xie , Kamal Choudhary

Real-world control systems require policies that are not only high-performing but also interpretable and robust. A promising direction toward this goal is model-based control, which learns system dynamics and cost functions from historical…

Systems and Control · Electrical Eng. & Systems 2025-11-20 Yuexin Bian , Jie Feng , Yuanyuan Shi

Autonomous agents optimize the reward function we give them. What they don't know is how hard it is for us to design a reward function that actually captures what we want. When designing the reward, we might think of some specific training…

Artificial Intelligence · Computer Science 2020-10-08 Dylan Hadfield-Menell , Smitha Milli , Pieter Abbeel , Stuart Russell , Anca Dragan

Stripe patterns are ubiquitous in nature and everyday life. While the synthesis of these patterns has been thoroughly studied in the literature, their potential to control the mechanics of structured materials remains largely unexplored. In…

Graphics · Computer Science 2023-05-24 Juan Montes Maestre , Yinwei Du , Ronan Hinchet , Stelian Coros , Bernhard Thomaszewski

Model-based reinforcement learning attempts to use an available or learned model to improve the data efficiency of reinforcement learning. This work proposes a one-step lookback approach that jointly learns the deep incremental model and…

Robotics · Computer Science 2025-02-28 Cong Li