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Many physical systems are described by probability distributions that evolve in both time and space. Modeling these systems is often challenging to due large state space and analytically intractable or computationally expensive dynamics. To…

Biological Physics · Physics 2019-07-03 Oliver K. Ernst , Tom Bartol , Terrence Sejnowski , Eric Mjolsness

Despite plenty of efforts focusing on improving the domain adaptation ability (DA) under unsupervised or few-shot semi-supervised settings, recently the solution of active learning started to attract more attention due to its suitability in…

Machine Learning · Computer Science 2022-04-05 Ming Xie , Yuxi Li , Yabiao Wang , Zekun Luo , Zhenye Gan , Zhongyi Sun , Mingmin Chi , Chengjie Wang , Pei Wang

We propose a novel model-based reinforcement learning algorithm -- Dynamics Learning and predictive control with Parameterized Actions (DLPA) -- for Parameterized Action Markov Decision Processes (PAMDPs). The agent learns a…

Machine Learning · Computer Science 2024-05-27 Renhao Zhang , Haotian Fu , Yilin Miao , George Konidaris

Boltzmann Machines constitute a class of neural networks with applications to image reconstruction, pattern classification and unsupervised learning in general. Their most common variants, called Restricted Boltzmann Machines (RBMs) exhibit…

Quantum Physics · Physics 2020-03-30 Lorenzo Rocutto , Claudio Destri , Enrico Prati

Graphical models are powerful tools for modeling high-dimensional data, but learning graphical models in the presence of latent variables is well-known to be difficult. In this work we give new results for learning Restricted Boltzmann…

Machine Learning · Computer Science 2020-07-28 Surbhi Goel , Adam Klivans , Frederic Koehler

Restricted Boltzmann Machines (RBMs) are a class of generative neural network that are typically trained to maximize a log-likelihood objective function. We argue that likelihood-based training strategies may fail because the objective does…

Machine Learning · Statistics 2018-04-25 Charles K. Fisher , Aaron M. Smith , Jonathan R. Walsh

Multi-source unsupervised domain adaptation (MUDA) aims to transfer knowledge from related source domains to an unlabeled target domain. While recent MUDA methods have shown promising results, most focus on aligning the overall feature…

Machine Learning · Computer Science 2023-07-27 Long Liu , Bo Zhou , Zhipeng Zhao , Zening Liu

Molecular Dynamics (MD) simulations are fundamental computational tools for the study of proteins and their free energy landscapes. However, sampling protein conformational changes through MD simulations is challenging due to the relatively…

Biomolecules · Quantitative Biology 2023-07-20 Diego E. Kleiman , Hassan Nadeem , Diwakar Shukla

Machine learning is widely used to analyze biological sequence data. Non-sequential models such as SVMs or feed-forward neural networks are often used although they have no natural way of handling sequences of varying length. Recurrent…

Quantitative Methods · Quantitative Biology 2016-03-14 Søren Kaae Sønderby , Casper Kaae Sønderby , Henrik Nielsen , Ole Winther

Deep Belief Network (DBN) has a deep architecture that represents multiple features of input patterns hierarchically with the pre-trained Restricted Boltzmann Machines (RBM). A traditional RBM or DBN model cannot change its network…

Neural and Evolutionary Computing · Computer Science 2018-07-12 Shin Kamada , Takumi Ichimura

We present a novel end-to-end deep learning-based adaptation control algorithm for frequency-domain adaptive system identification. The proposed method exploits a deep neural network to map observed signal features to corresponding…

Audio and Speech Processing · Electrical Eng. & Systems 2022-03-07 Thomas Haubner , Andreas Brendel , Walter Kellermann

Model-reference adaptive systems refer to a consortium of techniques that guide plants to track desired reference trajectories. Approaches based on theories like Lyapunov, sliding surfaces, and backstepping are typically employed to advise…

Systems and Control · Electrical Eng. & Systems 2023-03-20 Mohammed Abouheaf , Wail Gueaieb , Davide Spinello , Salah Al-Sharhan

For the application of MPC design in on-line regulation or tracking control problems, several studies have attempted to develop an accurate model, and realize adequate uncertainty description of linear or non-linear plants of the processes.…

Optimization and Control · Mathematics 2019-04-03 Yuanqiang Zhou , Dewei Li , Yugeng Xi , Zhongxue Gan

Modeling the face aging process is a challenging task due to large and non-linear variations present in different stages of face development. This paper presents a deep model approach for face age progression that can efficiently capture…

Computer Vision and Pattern Recognition · Computer Science 2021-06-08 Chi Nhan Duong , Khoa Luu , Kha Gia Quach , Tien D. Bui

Protein dynamics play a crucial role in protein biological functions and properties, and their traditional study typically relies on time-consuming molecular dynamics (MD) simulations conducted in silico. Recent advances in generative…

Biomolecules · Quantitative Biology 2025-06-02 Jiarui Lu , Xiaoyin Chen , Stephen Zhewen Lu , Aurélie Lozano , Vijil Chenthamarakshan , Payel Das , Jian Tang

We propose a direct domain adaptation (DDA) approach to enrich the training of supervised neural networks on synthetic data by features from real-world data. The process involves a series of linear operations on the input features to the NN…

Machine Learning · Computer Science 2021-08-18 Tariq Alkhalifah , Oleg Ovcharenko

We propose Adjustable Molecular Representation (AdaMR), a new large-scale uniform pre-training strategy for small-molecule drugs, as a novel unified pre-training strategy. AdaMR utilizes a granularity-adjustable molecular encoding strategy,…

Biomolecules · Quantitative Biology 2024-04-30 Yan Ding , Hao Cheng , Ziliang Ye , Ruyi Feng , Wei Tian , Peng Xie , Juan Zhang , Zhongze Gu

Debiased machine learning estimators for smooth functionals in nonparametric models can exhibit substantial variability and instability, often leading practitioners to instead rely on parametric or semiparametric working models. Such…

Methodology · Statistics 2026-03-20 Lars van der Laan , Marco Carone , Alex Luedtke , Mark van der Laan

In this study, we address the challenge of using energy-based models to produce high-quality, label-specific data in complex structured datasets, such as population genetics, RNA or protein sequences data. Traditional training methods…

Machine Learning · Computer Science 2025-02-07 Alessandra Carbone , Aurélien Decelle , Lorenzo Rosset , Beatriz Seoane

Temporal-difference learning with function approximation can be unstable under off-policy sampling. TDC stabilizes off-policy TD through an auxiliary covariance correction, and TDRC further regularizes this correction in a single-timescale…

Artificial Intelligence · Computer Science 2026-05-29 Xingguo Chen , Zhiang He , Yuchen Shen , Shangdong Yang , Chao Li , Guang Yang , Wenhao Wang
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