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Sampling molecular conformations from the Boltzmann distribution is essential for computational chemistry, but iterative diffusion methods are prohibitively slow. Drifting Models offer one-step generation, yet their equilibrium matches the…

Chemical Physics · Physics 2026-03-09 Pipi Hu

We present a general method for fitting finite mixture models (FMM). Learning in a mixture model consists of finding the most likely cluster assignment for each data-point, as well as finding the parameters of the clusters themselves. In…

Machine Learning · Statistics 2019-12-20 Mathias Edman , Neil Dhir

The ensemble average of physical properties of molecules is closely related to the distribution of molecular conformations, and sampling such distributions is a fundamental challenge in physics and chemistry. Traditional methods like…

Machine Learning · Computer Science 2025-08-06 Liya Guo , Zun Wang , Chang Liu , Junzhe Li , Pipi Hu , Yi Zhu

Deep neural networks (DNN) have been used successfully in many scientific problems for their high prediction accuracy, but their application to genetic studies remains challenging due to their poor interpretability. In this paper, we…

Machine Learning · Computer Science 2021-10-01 Peyman H. Kassani , Fred Lu , Yann Le Guen , Zihuai He

This paper describes and discusses Bayesian Neural Network (BNN). The paper showcases a few different applications of them for classification and regression problems. BNNs are comprised of a Probabilistic Model and a Neural Network. The…

Machine Learning · Computer Science 2018-01-31 Vikram Mullachery , Aniruddh Khera , Amir Husain

In this paper, we propose Binarized Change Detection (BiCD), the first binary neural network (BNN) designed specifically for change detection. Conventional network binarization approaches, which directly quantize both weights and…

Computer Vision and Pattern Recognition · Computer Science 2025-07-15 Kaijie Yin , Zhiyuan Zhang , Shu Kong , Tian Gao , Chengzhong Xu , Hui Kong

Edge intelligence requires to fast access distributed data samples generated by edge devices. The challenge is using limited radio resource to acquire massive data samples for training machine learning models at edge server. In this…

Information Theory · Computer Science 2021-01-15 Zhi Zeng , Yuan Liu , Weijun Tang , Fangjiong Chen

Ensemble learning is a standard approach to building machine learning systems that capture complex phenomena in real-world data. An important aspect of these systems is the complete and valid quantification of model uncertainty. We…

Machine Learning · Computer Science 2019-11-12 Jeremiah Zhe Liu , John Paisley , Marianthi-Anna Kioumourtzoglou , Brent Coull

Named Entity Recognition (NER) is an essential steppingstone in the field of natural language processing. Although promising performance has been achieved by various distantly supervised models, we argue that distant supervision inevitably…

Computation and Language · Computer Science 2024-05-01 Xinwei Chen , Kun Li , Tianyou Song , Jiangjian Guo

We introduce the so called DeepParticle method to learn and generate invariant measures of stochastic dynamical systems with physical parameters based on data computed from an interacting particle method (IPM). We utilize the expressiveness…

Machine Learning · Computer Science 2022-06-22 Zhongjian Wang , Jack Xin , Zhiwen Zhang

We study the problem of training neural stochastic differential equations, or diffusion models, to sample from a Boltzmann distribution without access to target samples. Existing methods for training such models enforce time-reversal of the…

Machine Learning · Computer Science 2026-02-05 Julius Berner , Lorenz Richter , Marcin Sendera , Jarrid Rector-Brooks , Nikolay Malkin

The appearance of direct electron detectors marked a new era for electron diffraction. Their high sensitivity and low noise opens the possibility to extend electron diffraction from transmission electron microscopes (TEM) to lower energies…

Applied Physics · Physics 2025-02-18 Nikita Denisov , Andrey Orekhov , Johan Verbeeck

Bayesian Neural Networks (BNNs) provide superior estimates of uncertainty by generating an ensemble of predictive distributions. However, inference via ensembling is resource-intensive, requiring additional entropy sources to generate…

Emerging Technologies · Computer Science 2025-05-20 Prabodh Katti , Clement Ruah , Osvaldo Simeone , Bashir M. Al-Hashimi , Bipin Rajendran

The non-uniform sampling is a powerful approach to enable fast acquisition but requires sophisticated reconstruction algorithms. Faithful reconstruction from partial sampled exponentials is highly expected in general signal processing and…

Compression of Neural Networks (NN) has become a highly studied topic in recent years. The main reason for this is the demand for industrial scale usage of NNs such as deploying them on mobile devices, storing them efficiently, transmitting…

Machine Learning · Statistics 2017-12-08 Marco Federici , Karen Ullrich , Max Welling

To improve the utility and scalability of distributed radio frequency (RF) sensor and communication networks, reduce the need for convolutional neural network (CNN) retraining, and efficiently share learned information about signals, we…

Signal Processing · Electrical Eng. & Systems 2020-08-12 J. B. Persons , Lauren J. Wong , W. Chris Headley , Michael C. Fowler

Bayesian neural networks (BNNs) have received an increased interest in the last years. In BNNs, a complete posterior distribution of the unknown weight and bias parameters of the network is produced during the training stage. This…

Machine Learning · Computer Science 2023-04-14 Yunshi Huang , Emilie Chouzenoux , Victor Elvira , Jean-Christophe Pesquet

Learning with noisy labels has become an effective strategy for enhancing the robustness of models, which enables models to better tolerate inaccurate data. Existing methods either focus on optimizing the loss function to mitigate the…

Artificial Intelligence · Computer Science 2024-06-04 Xiaming Che , Junlin Zhang , Zhuang Qi , Xin Qi

Many inference problems involve inferring the number $N$ of components in some region, along with their properties $\{\mathbf{x}_i\}_{i=1}^N$, from a dataset $\mathcal{D}$. A common statistical example is finite mixture modelling. In the…

Computation · Statistics 2015-01-15 Brendon J. Brewer

The task of learning a diffusion-based neural sampler for drawing samples from an unnormalized target distribution can be viewed as a stochastic optimal control problem on path measures. However, the training of neural samplers can be…

Machine Learning · Computer Science 2026-05-20 Wei Guo , Jaemoo Choi , Yuchen Zhu , Molei Tao , Yongxin Chen