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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

One important property of DIstribution Correction Estimation (DICE) methods is that the solution is the optimal stationary distribution ratio between the optimized and data collection policy. In this work, we show that DICE-based methods…

Machine Learning · Computer Science 2024-11-01 Liyuan Mao , Haoran Xu , Xianyuan Zhan , Weinan Zhang , Amy Zhang

Reusing pre-collected data from different domains is an appealing solution for decision-making tasks, especially when data in the target domain are limited. Existing cross-domain policy transfer methods mostly aim at learning domain…

Robotics · Computer Science 2026-03-10 Haoyi Niu , Qimao Chen , Tenglong Liu , Jianxiong Li , Guyue Zhou , Yi Zhang , Jianming Hu , Xianyuan Zhan

The size and quality of chemical libraries to the drug discovery pipeline are crucial for developing new drugs or repurposing existing drugs. Existing techniques such as combinatorial organic synthesis and High-Throughput Screening usually…

Biomolecules · Quantitative Biology 2020-10-02 Brighter Agyemang , Wei-Ping Wu , Daniel Addo , Michael Y. Kpiebaareh , Ebenezer Nanor , Charles Roland Haruna

We study the problem of experiment design to learn causal structures from interventional data. We consider an active learning setting in which the experimenter decides to intervene on one of the variables in the system in each step and uses…

Artificial Intelligence · Computer Science 2020-09-09 Amir Amirinezhad , Saber Salehkaleybar , Matin Hashemi

Test-time adaptation harnesses test inputs to improve the accuracy of a model trained on source data when tested on shifted target data. Existing methods update the source model by (re-)training on each target domain. While effective,…

Machine Learning · Computer Science 2023-06-22 Jin Gao , Jialing Zhang , Xihui Liu , Trevor Darrell , Evan Shelhamer , Dequan Wang

Shape-morphing structures possess the ability to change their shapes from one state to another, and therefore, offer great potential for a broad range of applications. A typical paradigm of morphing is transforming from an initial…

Applied Physics · Physics 2023-07-13 Hirak Kansara , Mingchao Liu , Yinfeng He , Wei Tan

Sequential design is a highly active field of research in active learning which provides a general framework for designing computer experiments with limited computational budgets. It aims to create efficient surrogate models to replace…

Methodology · Statistics 2025-01-03 Paul Lartaud , Philippe Humbert , Josselin Garnier

We describe the DISC (Different Individuals, Same Clusters) design, a sampling scheme that can improve the precision of difference-in-differences (DID) estimators in settings involving repeated sampling of a population at multiple time…

Methodology · Statistics 2025-08-21 Jordan Downey , Avi Kenny

Deep reinforcement learning with domain randomization learns a control policy in various simulations with randomized physical and sensor model parameters to become transferable to the real world in a zero-shot setting. However, a huge…

Robotics · Computer Science 2023-04-11 Yuki Kadokawa , Lingwei Zhu , Yoshihisa Tsurumine , Takamitsu Matsubara

The use of imitation learning to learn a single policy for a complex task that has multiple modes or hierarchical structure can be challenging. In fact, previous work has shown that when the modes are known, learning separate policies for…

Machine Learning · Computer Science 2019-03-13 Arjun Sharma , Mohit Sharma , Nicholas Rhinehart , Kris M. Kitani

We study the problem of experimental design for accurately identifying the causal graph structure of a simple structural causal model (SCM), where the underlying graph may include both cycles and bidirected edges induced by latent…

Machine Learning · Statistics 2025-09-03 Haijie Xu , Chen Zhang

As edge computing capabilities increase, model learning deployments in diverse edge environments have emerged. In experimental design networks, introduced recently, network routing and rate allocation are designed to aid the transfer of…

Networking and Internet Architecture · Computer Science 2024-01-11 Yuanyuan Li , Lili Su , Carlee Joe-Wong , Edmund Yeh , Stratis Ioannidis

We study how individual training examples shape the internal computation of looped transformers, where a shared block is applied for $\tau$ recurrent iterations to enable latent reasoning. Existing training-data influence estimators such as…

Machine Learning · Computer Science 2026-02-11 Georgios Kaissis , David Mildenberger , Juan Felipe Gomez , Martin J. Menten , Eleni Triantafillou

Generative AIBIM, a successful structural design pipeline, has proven its ability to intelligently generate high-quality, diverse, and creative shear wall designs that are tailored to specific physical conditions. However, the current…

Computer Vision and Pattern Recognition · Computer Science 2024-12-31 Zhili He , Yu-Hsing Wang

This work presents DAVINCI, a unified architecture for single-stage Computer-Aided Design (CAD) sketch parameterization and constraint inference directly from raster sketch images. By jointly learning both outputs, DAVINCI minimizes error…

Computer Vision and Pattern Recognition · Computer Science 2025-11-13 Ahmet Serdar Karadeniz , Dimitrios Mallis , Nesryne Mejri , Kseniya Cherenkova , Anis Kacem , Djamila Aouada

Exploration and adaptation to new tasks in a transfer learning setup is a central challenge in reinforcement learning. In this work, we build on the idea of modeling a distribution over policies in a Bayesian deep reinforcement learning…

Machine Learning · Computer Science 2019-06-11 Disha Shrivastava , Eeshan Gunesh Dhekane , Riashat Islam

The paper presents a distributed model predictive control (DMPC) scheme for continuous-time nonlinear systems based on the alternating direction method of multipliers (ADMM). A stopping criterion in the ADMM algorithm limits the iterations…

Optimization and Control · Mathematics 2017-06-30 Anja Bestler , Knut Graichen

The goal of this article is to study fundamental mechanisms behind so-called indirect and direct data-driven control for unknown systems. Specifically, we consider policy iteration applied to the linear quadratic regulator problem. Two…

Systems and Control · Electrical Eng. & Systems 2024-04-30 Bowen Song , Andrea Iannelli

In optimal experimental design, the objective is to select a limited set of experiments that maximizes information about unknown model parameters based on factor levels. This work addresses the generalized D-optimal design problem, allowing…

Data Structures and Algorithms · Computer Science 2024-11-05 Aditya Pillai , Gabriel Ponte , Marcia Fampa , Jon Lee , and Mohit Singh , Weijun Xie