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In structure-based virtual screening, it is often necessary to evaluate the binding free energy of protein-ligand complexes by considering not only molecular conformations but also how these structures shift and rotate in space. The number…

Quantum Physics · Physics 2025-07-25 Pei-Kun Yang

One of the primary objectives in the field of quantum state learning is to develop algorithms that are time-efficient for learning states generated from quantum circuits. Earlier investigations have demonstrated time-efficient algorithms…

Quantum Physics · Physics 2024-02-14 Nai-Hui Chia , Ching-Yi Lai , Han-Hsuan Lin

We propose a learning method for estimating unknown pure quantum states. The basic idea of our method is to learn a unitary operation $\hat{U}$ that transforms a given unknown state $|\psi_\tau\rangle$ to a known fiducial state $|f\rangle$.…

Quantum Physics · Physics 2018-11-07 Sang Min Lee , Jinhyoung Lee , Jeongho Bang

The experimental realization of increasingly complex quantum states underscores the pressing need for new methods of state learning and verification. In one such framework, quantum state tomography, the aim is to learn the full quantum…

Quantum Physics · Physics 2025-01-30 Antonio Anna Mele , Yaroslav Herasymenko

Can linearly decodable failure signals in LLM hidden states be leveraged to correct those failures? We investigate this classification-correction gap via Overthinking (OT)--a stable behavioral regime (Jaccard >= 0.81, 94% inter-annotator…

Artificial Intelligence · Computer Science 2026-05-08 Ming Liu

We study reinforcement learning for partially observed Markov decision processes (POMDPs) with infinite observation and state spaces, which remains less investigated theoretically. To this end, we make the first attempt at bridging partial…

Machine Learning · Computer Science 2024-04-02 Qi Cai , Zhuoran Yang , Zhaoran Wang

This paper presents a Q-learning framework for learning optimal locomotion gaits in robotic systems modeled as coupled rigid bodies. Inspired by prevalence of periodic gaits in bio-locomotion, an open loop periodic input is assumed to (say)…

Systems and Control · Electrical Eng. & Systems 2019-10-02 Tixian Wang , Amirhossein Taghvaei , Prashant G. Mehta

Few-shot meta-learning methods consider the problem of learning new tasks from a small, fixed number of examples, by meta-learning across static data from a set of previous tasks. However, in many real world settings, it is more natural to…

Machine Learning · Computer Science 2020-12-15 Tianhe Yu , Xinyang Geng , Chelsea Finn , Sergey Levine

In this work, we consider a fundamental task in quantum many-body physics - finding and learning ground states of quantum Hamiltonians and their properties. Recent works have studied the task of predicting the ground state expectation value…

Quantum Physics · Physics 2025-01-16 Štěpán Šmíd , Roberto Bondesan

We describe applications of two-dimensional subwavelength quantum emitter arrays as efficient optical elements in the linear regime. For normally incident light, the cooperative optical response, stemming from emitter-emitter dipole…

Quantum Physics · Physics 2023-02-15 Nico S. Bassler , Michael Reitz , Kai P. Schmidt , Claudiu Genes

The use of residential photovoltaics has increased dramatically in recent years. With battery systems becoming more affordable, the optimal operation of a photovoltaic-battery system can bring significant savings to households. Optimal…

Machine Learning · Statistics 2026-05-28 Joris Depoortere , Hussain Kazmi , Johan Driesen

We propose an algorithm for learning a conditional generative model of a molecule given a target. Specifically, given a receptor molecule that one wishes to bind to, the conditional model generates candidate ligand molecules that may bind…

Machine Learning · Computer Science 2022-11-10 Eyal Rozenberg , Daniel Freedman

This paper tackles the challenge of learning a generalizable minimum-time flight policy for UAVs, capable of navigating between arbitrary start and goal states while balancing agile flight and stable hovering. Traditional approaches,…

Robotics · Computer Science 2025-10-24 Swati Dantu , Robert Pěnička , Martin Saska

Optical neural networks present distinct advantages over traditional electrical counterparts, such as accelerated data processing and reduced energy consumption. While coherent light is conventionally employed in optical neural networks,…

Optics · Physics 2025-07-15 Jianwei Qin , Yanbing Liu , Yan Liu , Xun Liu , Wei Li , Fangwei Ye

In this work, we study model-based reinforcement learning (RL) in unknown stabilizable linear dynamical systems. When learning a dynamical system, one needs to stabilize the unknown dynamics in order to avoid system blow-ups. We propose an…

Machine Learning · Computer Science 2022-06-06 Sahin Lale , Kamyar Azizzadenesheli , Babak Hassibi , Anima Anandkumar

As field-programmable gate arrays become prevalent in critical application domains, their power consumption is of high concern. In this paper, we present and evaluate a power monitoring scheme capable of accurately estimating the runtime…

Hardware Architecture · Computer Science 2020-09-04 Zhe Lin , Sharad Sinha , Wei Zhang

In this paper, we study the peak-aware energy scheduling problem using the competitive framework with machine learning prediction. With the uncertainty of energy demand as the fundamental challenge, the goal is to schedule the energy output…

Data Structures and Algorithms · Computer Science 2019-11-20 Russell Lee , Mohammad H. Hajiesmaili , Jian Li

Model-based reinforcement learning could enable sample-efficient learning by quickly acquiring rich knowledge about the world and using it to improve behaviour without additional data. Learned dynamics models can be directly used for…

Machine Learning · Computer Science 2019-10-15 Rinu Boney , Juho Kannala , Alexander Ilin

Machine-learned potentials (MLPs) trained on ab initio data combine the computational efficiency of classical interatomic potentials with the accuracy and generality of the first-principles method used in the creation of the respective…

Chemical Physics · Physics 2024-08-07 Leonid Kahle , Benoit Minisini , Tai Bui , Jeremy T. First , Corneliu Buda , Thomas Goldman , Erich Wimmer

Signalized intersections in arterial roads result in persistent vehicle idling and excess accelerations, contributing to fuel consumption and CO2 emissions. There has thus been a line of work studying eco-driving control strategies to…

Systems and Control · Electrical Eng. & Systems 2022-04-28 Vindula Jayawardana , Cathy Wu
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