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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…

机器学习 · 计算机科学 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…

定量方法 · 定量生物学 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…

机器人学 · 计算机科学 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…

机器学习 · 计算机科学 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…

系统与控制 · 电气工程与系统科学 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…

信号处理 · 电气工程与系统科学 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…

天体物理仪器与方法 · 物理学 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…

机器学习 · 统计学 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…

计算机视觉与模式识别 · 计算机科学 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)…

系统与控制 · 电气工程与系统科学 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…

机器人学 · 计算机科学 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…

机器学习 · 计算机科学 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,…

机器学习 · 计算机科学 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…

机器人学 · 计算机科学 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…

神经元与认知 · 定量生物学 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…

机器人学 · 计算机科学 2026-04-24 Weirui Ye , Yunsheng Zhang , Haoyang Weng , Xianfan Gu , Shengjie Wang , Tong Zhang , Mengchen Wang , Pieter Abbeel , Yang Gao

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…

系统与控制 · 电气工程与系统科学 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…

机器学习 · 计算机科学 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…

统计理论 · 数学 2022-10-20 Elynn Y. Chen , Jianqing Fan