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Generating physically realistic 3D molecular structures remains a core challenge in molecular generative modeling. While diffusion models equipped with equivariant neural networks have made progress in capturing molecular geometries, they…

Machine Learning · Computer Science 2025-08-25 Zhijian Zhou , Junyi An , Zongkai Liu , Yunfei Shi , Xuan Zhang , Fenglei Cao , Chao Qu , Yuan Qi

Neuroscience has recently made much progress, expanding the complexity of both neural-activity measurements and brain-computational models. However, we lack robust methods for connecting theory and experiment by evaluating our new big…

Quantitative Methods · Quantitative Biology 2023-07-06 Heiko H. Schütt , Alexander D. Kipnis , Jörn Diedrichsen , Nikolaus Kriegeskorte

Predictive models that accurately emulate complex scientific processes can achieve exponential speed-ups over numerical simulators or experiments, and at the same time provide surrogates for improving the subsequent analysis. Consequently,…

Causal understanding is important in many disciplines of science and engineering, where we seek to understand how different factors in the system causally affect an experiment or situation and pave a pathway towards creating effective or…

Robotics · Computer Science 2025-05-14 Miguel Arana-Catania , Weisi Guo

Using more test-time computation during language model inference, such as generating more intermediate thoughts or sampling multiple candidate answers, has proven effective in significantly improving model performance. This paper takes an…

Machine Learning · Computer Science 2025-08-20 Xingwu Chen , Miao Lu , Beining Wu , Difan Zou

Learning from expert demonstrations to flexibly program an autonomous system with complex behaviors or to predict an agent's behavior is a powerful tool, especially in collaborative control settings. A common method to solve this problem is…

Systems and Control · Electrical Eng. & Systems 2024-05-15 Samuel Tesfazgi , Leonhard Sprandl , Armin Lederer , Sandra Hirche

The setup considered in the paper consists of sensors in a Networked Control System that are used to build a digital twin (DT) model of the system dynamics. The focus is on control, scheduling, and resource allocation for sensory…

Signal Processing · Electrical Eng. & Systems 2023-11-28 Van-Phuc Bui , Shashi Raj Pandey , Pedro M. de Sant Ana , Petar Popovski

Modern radio telescopes produce unprecedented amounts of data, which are passed through many processing pipelines before the delivery of scientific results. Hyperparameters of these pipelines need to be tuned by hand to produce optimal…

Instrumentation and Methods for Astrophysics · Physics 2021-05-26 Sarod Yatawatta , Ian M. Avruch

We introduce a statistical physics inspired supervised machine learning algorithm for classification and regression problems. The method is based on the invariances or stability of predicted results when known data is represented as…

Machine Learning · Statistics 2018-11-19 Patrick Chao , Tahereh Mazaheri , Bo Sun , Nicholas B. Weingartner , Zohar Nussinov

Deep neural networks (DNNs) have achieved significant success across various tasks, but ensuring reliable uncertainty estimates, known as model calibration, is crucial for their safe and effective deployment. Modern DNNs often suffer from…

Computer Vision and Pattern Recognition · Computer Science 2024-10-29 Linwei Tao , Minjing Dong , Chang Xu

Physics-based and data-driven models for remaining useful lifetime (RUL) prediction typically suffer from two major challenges that limit their applicability to complex real-world domains: (1) incompleteness of physics-based models and (2)…

Systems and Control · Electrical Eng. & Systems 2020-10-28 Manuel Arias Chao , Chetan Kulkarni , Kai Goebel , Olga Fink

This paper presents a reinforcement learning-based neuroadaptive control framework for robotic manipulators operating under deferred constraints. The proposed approach improves traditional barrier Lyapunov functions by introducing a smooth…

Robotics · Computer Science 2025-03-20 Hamed Rahimi Nohooji , Abolfazl Zaraki , Holger Voos

Learning effective configurations in computer systems without hand-crafting models for every parameter is a long-standing problem. This paper investigates the use of deep reinforcement learning for runtime parameters of cloud databases…

Machine Learning · Computer Science 2016-11-01 Michael Schaarschmidt , Felix Gessert , Valentin Dalibard , Eiko Yoneki

The thermal system of battery electric vehicles demands advanced control. Its thermal management needs to effectively control active components across varying operating conditions. While robust control function parametrization is required,…

Machine Learning · Computer Science 2024-08-06 Thomas Rudolf , Philip Muhl , Sören Hohmann , Lutz Eckstein

Motivated by the challenge of achieving rapid learning in physical environments, this paper presents the development and training of a robotic system designed to navigate and solve a labyrinth game using model-based reinforcement learning…

Robotics · Computer Science 2023-12-18 Thomas Bi , Raffaello D'Andrea

Cross-situational word learning is based on the notion that a learner can determine the referent of a word by finding something in common across many observed uses of that word. Here we propose an adaptive learning algorithm that contains a…

Neurons and Cognition · Quantitative Biology 2013-11-20 Paulo F. C. Tilles , Jose F. Fontanari

Reinforcement learning (RL) is a promising approach for solving robotic manipulation tasks. However, it is challenging to apply the RL algorithms directly in the real world. For one thing, RL is data-intensive and typically requires…

We propose a learning-based robust predictive control algorithm that compensates for significant uncertainty in the dynamics for a class of discrete-time systems that are nominally linear with an additive nonlinear component. Such systems…

Systems and Control · Electrical Eng. & Systems 2021-10-15 Rohan Sinha , James Harrison , Spencer M. Richards , Marco Pavone

Reinforcement learning (RL) has emerged as a promising strategy for finetuning small language models (SLMs) to solve targeted tasks such as math and coding. However, RL algorithms tend to be resource-intensive, taking a significant amount…

Machine Learning · Computer Science 2025-10-07 Lianghuan Huang , Sagnik Anupam , Insup Lee , Shuo Li , Osbert Bastani

This paper considers the estimation and inference of the low-rank components in high-dimensional matrix-variate factor models, where each dimension of the matrix-variates ($p \times q$) is comparable to or greater than the number of…

Statistics Theory · Mathematics 2022-10-20 Elynn Y. Chen , Jianqing Fan