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Faithful representations of atomic environments and general models for regression can be harnessed to learn electron densities that are close to the ground state. One of the applications of data-derived electron densities is to orbital-free…

Materials Science · Physics 2019-03-01 Andrew T. Fowler , Chris J. Pickard , James A. Elliott

Leveraging data collected from smart meters in buildings can aid in developing policies towards energy conservation. Significant energy savings could be realised if deviations in the building operating conditions are detected early, and…

Machine Learning · Computer Science 2023-03-29 Durga Prasad Pydi , S. Advaith

The paper develops a general flexible framework for Network Autoregressive Processes (NAR), wherein the response of each node linearly depends on its past values, a prespecified linear combination of neighboring nodes and a set of…

Methodology · Statistics 2021-10-20 Hang Yin , Abolfazl Safikhani , George Michailidis

This paper introduces a novel anomaly detection framework that combines the robust statistical principles of density-estimation-based anomaly detection methods with the representation-learning capabilities of deep learning models. The…

Machine Learning · Computer Science 2024-08-15 Joseph Gallego-Mejia , Oscar Bustos-Brinez , Fabio A. González

Energy-based models (EBMs) are a simple yet powerful framework for generative modeling. They are based on a trainable energy function which defines an associated Gibbs measure, and they can be trained and sampled from via well-established…

Machine Learning · Computer Science 2021-05-06 Carles Domingo-Enrich , Alberto Bietti , Eric Vanden-Eijnden , Joan Bruna

Bifurcating autoregressive processes, which can be seen as an adaptation of au-toregressive processes for a binary tree structure, have been extensively studied during the last decade in a parametric context. In this work we do not specify…

Statistics Theory · Mathematics 2016-02-12 Siméon Valère Bitseki Penda , Adélaïde Olivier

Deep generative models are rapidly gaining traction in medical imaging. Nonetheless, most generative architectures struggle to capture the underlying probability distributions of volumetric data, exhibit convergence problems, and offer no…

Machine Learning · Computer Science 2019-07-29 Guilherme Pombo , Robert Gray , Tom Varsavsky , John Ashburner , Parashkev Nachev

This work develops a new method for estimating and optimizing the directed information rate between two jointly stationary and ergodic stochastic processes. Building upon recent advances in machine learning, we propose a recurrent neural…

Information Theory · Computer Science 2022-03-29 Dor Tsur , Ziv Aharoni , Ziv Goldfeld , Haim Permuter

Conditional neural processes (CNPs; Garnelo et al., 2018a) are attractive meta-learning models which produce well-calibrated predictions and are trainable via a simple maximum likelihood procedure. Although CNPs have many advantages, they…

Energy-based models (EBMs) are powerful probabilistic models, but suffer from intractable sampling and density evaluation due to the partition function. As a result, inference in EBMs relies on approximate sampling algorithms, leading to a…

Machine Learning · Computer Science 2020-01-10 Dieterich Lawson , George Tucker , Bo Dai , Rajesh Ranganath

Autoregressive models capture stochastic processes in which past realizations determine the generative distribution of new data; they arise naturally in a variety of industrial, biomedical, and financial settings. A key challenge when…

Statistics Theory · Mathematics 2020-07-30 Daren Wang , Yi Yu , Alessandro Rinaldo , Rebecca Willett

Entropy is ubiquitous in machine learning, but it is in general intractable to compute the entropy of the distribution of an arbitrary continuous random variable. In this paper, we propose the amortized residual denoising autoencoder…

Machine Learning · Computer Science 2020-06-11 Jae Hyun Lim , Aaron Courville , Christopher Pal , Chin-Wei Huang

We introduce a new family of estimators for unnormalized statistical models. Our family of estimators is parameterized by two nonlinear functions and uses a single sample from an auxiliary distribution, generalizing Maximum Likelihood Monte…

Machine Learning · Computer Science 2012-03-19 Miika Pihlaja , Michael Gutmann , Aapo Hyvarinen

The goal of a generative model is to capture the distribution underlying the data, typically through latent variables. After training, these variables are often used as a new representation, more effective than the original features in a…

Machine Learning · Computer Science 2015-04-29 Maruan Al-Shedivat , Emre Neftci , Gert Cauwenberghs

Standard autoregressive language models perform only polynomial-time computation to compute the probability of the next symbol. While this is attractive, it means they cannot model distributions whose next-symbol probability is hard to…

Machine Learning · Computer Science 2021-06-01 Chu-Cheng Lin , Aaron Jaech , Xin Li , Matthew R. Gormley , Jason Eisner

This paper provides a first study of utilizing energy harvesting for sustainable machine learning in distributed networks. We consider a distributed learning setup in which a machine learning model is trained over a large number of devices…

Machine Learning · Computer Science 2021-02-11 Basak Guler , Aylin Yener

Memory units have been widely used to enrich the capabilities of deep networks on capturing long-term dependencies in reasoning and prediction tasks, but little investigation exists on deep generative models (DGMs) which are good at…

Machine Learning · Computer Science 2016-05-31 Chongxuan Li , Jun Zhu , Bo Zhang

Our work combines aspects of three promising paradigms in machine learning, namely, attention mechanism, energy-based models, and associative memory. Attention is the power-house driving modern deep learning successes, but it lacks clear…

This paper provides a new avenue for exploiting deep neural networks to improve physics-based simulation. Specifically, we integrate the classic Lagrangian mechanics with a deep autoencoder to accelerate elastic simulation of deformable…

Machine Learning · Computer Science 2021-02-23 Siyuan Shen , Yang Yin , Tianjia Shao , He Wang , Chenfanfu Jiang , Lei Lan , Kun Zhou

We consider multi-class classification where the predictor has a hierarchical structure that allows for a very large number of labels both at train and test time. The predictive power of such models can heavily depend on the structure of…

Machine Learning · Statistics 2017-03-06 Yacine Jernite , Anna Choromanska , David Sontag