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Identifying promising compounds from a vast collection of feasible compounds is an important and yet challenging problem in the pharmaceutical industry. An efficient solution to this problem will help reduce the expenditure at the early…

Applications · Statistics 2009-06-09 Abhyuday Mandal , Pritam Ranjan , C. F. Jeff Wu

Learning an egocentric action recognition model from video data is challenging due to distractors (e.g., irrelevant objects) in the background. Further integrating object information into an action model is hence beneficial. Existing…

Computer Vision and Pattern Recognition · Computer Science 2022-05-04 Victor Escorcia , Ricardo Guerrero , Xiatian Zhu , Brais Martinez

Learning to optimize (L2O) parametric approximations of AC optimal power flow (AC-OPF) solutions offers the potential for fast, reusable decision-making in real-time power system operations. However, the inherent nonconvexity of AC-OPF…

Machine Learning · Computer Science 2025-11-18 Shimiao Li , Aaron Tuor , Draguna Vrabie , Larry Pileggi , Jan Drgona

We present a self-supervised learning (SSL) method suitable for semi-global tasks such as object detection and semantic segmentation. We enforce local consistency between self-learned features, representing corresponding image locations of…

Computer Vision and Pattern Recognition · Computer Science 2022-12-09 Ashraful Islam , Ben Lundell , Harpreet Sawhney , Sudipta Sinha , Peter Morales , Richard J. Radke

Nonlinear dynamical systems with continuous variables can be used for solving combinatorial optimization problems with discrete variables. Numerical simulations of them are also useful as heuristic algorithms with a desirable property,…

Quantum Physics · Physics 2026-04-08 Hayato Goto , Ryo Hidaka , Kosuke Tatsumura

The advancement of artificial intelligence has cast a new light on the development of optimization algorithm. This paper proposes to learn a two-phase (including a minimization phase and an escaping phase) global optimization algorithm for…

Machine Learning · Computer Science 2020-03-11 Haotian Zhang , Jianyong Sun , Zongben Xu

A growing portion of operators workload is dedicated to Tertiary Voltage Control (TVC), namely the regulation of voltages by means of adjusting a series of setpoints and connection status. TVC may be framed as a Mixed Integer Non Linear…

Systems and Control · Electrical Eng. & Systems 2026-04-06 Balthazar Donon , Geoffroy Jamgotchian , Hugo Kulesza , Louis Wehenkel

Trajectory optimization is a fundamental stochastic optimal control problem. This paper deals with a trajectory optimization approach for dynamical systems subject to measurement noise that can be fitted into linear time-varying stochastic…

Systems and Control · Electrical Eng. & Systems 2021-08-24 Prakash Mallick , Zhiyong Chen

As large language model agents tackle increasingly complex long-horizon tasks, effective post-training becomes critical. Prior work faces fundamental challenges: outcome-only rewards fail to precisely attribute credit to intermediate steps,…

Computation and Language · Computer Science 2026-04-30 Mukai Li , Qingcheng Zeng , Tianqing Fang , Zhenwen Liang , Linfeng Song , Qi Liu , Haitao Mi , Dong Yu

We address the generic problem of optimal quantum state preparation for open quantum systems. It is well known that open quantum systems can be simulated by quantum trajectories described by a stochastic Schr\"odinger equation. In this…

Quantum Physics · Physics 2025-01-31 Aarón Villanueva , Hilbert Kappen

A promising approach to useful computational quantum advantage is to use variational quantum algorithms for optimisation problems. Crucial for the performance of these algorithms is to ensure that the algorithm converges with high…

Quantum Physics · Physics 2022-06-27 Ioannis Kolotouros , Petros Wallden

Quantum process learning is a fundamental primitive that draws inspiration from machine learning with the goal of better studying the dynamics of quantum systems. One approach to quantum process learning is quantum compilation, whereby an…

Recent studies on Learning to Optimize (L2O) suggest a promising path to automating and accelerating the optimization procedure for complicated tasks. Existing L2O models parameterize optimization rules by neural networks, and learn those…

Machine Learning · Computer Science 2022-05-10 Wenqing Zheng , Tianlong Chen , Ting-Kuei Hu , Zhangyang Wang

Autonomous agents situated in real-world environments must be able to master large repertoires of skills. While a single short skill can be learned quickly, it would be impractical to learn every task independently. Instead, the agent…

Machine Learning · Computer Science 2020-08-04 Coline Devin , Daniel Geng , Pieter Abbeel , Trevor Darrell , Sergey Levine

Bi-level optimization problems, where one wishes to find the global minimizer of an upper-level objective function over the globally optimal solution set of a lower-level objective, arise in a variety of scenarios throughout science and…

Optimization and Control · Mathematics 2025-05-13 Nicolás García Trillos , Sixu Li , Konstantin Riedl , Yuhua Zhu

Time Series Classification (TSC) covers the supervised learning problem where input data is provided in the form of series of values observed through repeated measurements over time, and whose objective is to predict the category to which…

Stochastic-gradient-based optimization has been a core enabling methodology in applications to large-scale problems in machine learning and related areas. Despite the progress, the gap between theory and practice remains significant, with…

Optimization and Control · Mathematics 2021-01-01 Lihua Lei , Michael I. Jordan

Learning to Optimize (L2O) is a subfield of machine learning (ML) in which ML models are trained to solve parametric optimization problems. The general goal is to learn a fast approximator of solutions to constrained optimization problems,…

Optimization and Control · Mathematics 2025-12-04 James Kotary , Himanshu Sharma , Ethan King , Draguna Vrabie , Ferdinando Fioretto , Jan Drgona

Multi-objective reinforcement learning (MORL) algorithms tackle sequential decision problems where agents may have different preferences over (possibly conflicting) reward functions. Such algorithms often learn a set of policies (each…

Machine Learning · Computer Science 2023-08-16 Lucas N. Alegre , Ana L. C. Bazzan , Diederik M. Roijers , Ann Nowé , Bruno C. da Silva

The optimal control problem of stochastic systems is commonly solved via robust or scenario-based optimization methods, which are both challenging to scale to long optimization horizons. We cast the optimal control problem of a stochastic…

Machine Learning · Computer Science 2025-09-17 Etienne Buehrle , Christoph Stiller
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