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Ab initio pseudopotentials are a linchpin of modern molecular and condensed matter electronic structure calculations. In this work, we employ multi-objective optimization to maximize pseudopotential softness while maintaining high accuracy…

Chemical Physics · Physics 2022-09-21 Mostafa Faghih Shojaei , John E. Pask , Andrew J. Medford , Phanish Suryanarayana

We propose an approximate strategy to efficiently train neural network based language models over very large vocabularies. Our approach, called adaptive softmax, circumvents the linear dependency on the vocabulary size by exploiting the…

Computation and Language · Computer Science 2017-06-20 Edouard Grave , Armand Joulin , Moustapha Cissé , David Grangier , Hervé Jégou

In this work we propose to fit a sparse logistic regression model by a weakly convex regularized nonconvex optimization problem. The idea is based on the finding that a weakly convex function as an approximation of the $\ell_0$ pseudo norm…

Machine Learning · Computer Science 2018-05-23 Xinyue Shen , Yuantao Gu

Simple exponential smoothing is widely used in forecasting economic time series. This is because it is quick to compute and it generally delivers accurate forecasts. On the other hand, its multivariate version has received little attention…

Computation · Statistics 2021-03-17 Federico Poloni , Giacomo Sbrana

Understanding the parameter estimation of softmax gating Gaussian mixture of experts has remained a long-standing open problem in the literature. It is mainly due to three fundamental theoretical challenges associated with the softmax…

Machine Learning · Statistics 2023-10-31 Huy Nguyen , TrungTin Nguyen , Nhat Ho

Current methods for the interpretability of discriminative deep neural networks commonly rely on the model's input-gradients, i.e., the gradients of the output logits w.r.t. the inputs. The common assumption is that these input-gradients…

Machine Learning · Computer Science 2021-03-04 Suraj Srinivas , Francois Fleuret

Neural networks utilize the softmax as a building block in classification tasks, which contains an overconfidence problem and lacks an uncertainty representation ability. As a Bayesian alternative to the softmax, we consider a random…

Machine Learning · Computer Science 2020-06-30 Taejong Joo , Uijung Chung , Min-Gwan Seo

While training fair machine learning models has been studied extensively in recent years, most developed methods rely on the assumption that the training and test data have similar distributions. In the presence of distribution shifts, fair…

Machine Learning · Computer Science 2023-09-22 Sina Baharlouei , Meisam Razaviyayn

Learning a generative model of visual information with sparse and compositional features has been a challenge for both theoretical neuroscience and machine learning communities. Sparse coding models have achieved great success in explaining…

Machine Learning · Computer Science 2021-01-26 Linxing Preston Jiang , Luciano de la Iglesia

Stochastic optimization lies at the core of most statistical learning models. The recent great development of stochastic algorithmic tools focused significantly onto proximal gradient iterations, in order to find an efficient approach for…

Machine Learning · Computer Science 2020-03-31 Andrei Patrascu , Ciprian Paduraru , Paul Irofti

Despite the undeniable progress in visual recognition tasks fueled by deep neural networks, there exists recent evidence showing that these models are poorly calibrated, resulting in over-confident predictions. The standard practices of…

Computer Vision and Pattern Recognition · Computer Science 2024-02-01 Balamurali Murugesan , Bingyuan Liu , Adrian Galdran , Ismail Ben Ayed , Jose Dolz

Statistical inference from high-dimensional data with low-dimensional structures has recently attracted lots of attention. In machine learning, deep generative modeling approaches implicitly estimate distributions of complex objects by…

Statistics Theory · Mathematics 2022-02-21 Rong Tang , Yun Yang

We consider forecasting functional time series of extreme values within a generalised extreme value distribution (GEV). The GEV distribution can be characterised using the three parameters (location, scale and shape). As a result, the…

Methodology · Statistics 2020-12-22 Han Lin Shang , Ruofan Xu

In-network distributed estimation of sparse parameter vectors via diffusion LMS strategies has been studied and investigated in recent years. In all the existing works, some convex regularization approach has been used at each node of the…

Machine Learning · Computer Science 2016-11-15 Bijit Kumar Das , Mrityunjoy Chakraborty , Jerónimo Arenas-García

Discrete probability laws underpin statistical modeling, yet the catalog of interpretable distributions has expanded only gradually through centuries of case-by-case mathematical derivations. We introduce symbolic density estimation (SDE),…

Machine Learning · Computer Science 2026-05-25 Ziwen Liu , Meng Li

A key task in Bayesian statistics is sampling from distributions that are only specified up to a partition function (i.e., constant of proportionality). However, without any assumptions, sampling (even approximately) can be #P-hard, and few…

Machine Learning · Computer Science 2018-12-03 Rong Ge , Holden Lee , Andrej Risteski

The generalised extreme value (GEV) distribution is a three parameter family that describes the asymptotic behaviour of properly renormalised maxima of a sequence of independent and identically distributed random variables. If the shape…

Applications · Statistics 2022-05-10 Daniela Castro-Camilo , Raphaël Huser , Håvard Rue

Recently, the robustness of deep learning models has received widespread attention, and various methods for improving model robustness have been proposed, including adversarial training, model architecture modification, design of loss…

Machine Learning · Computer Science 2023-03-23 Hao Wang , Chen Li , Jinzhe Jiang , Xin Zhang , Yaqian Zhao , Weifeng Gong

Neural network classifiers trained with cross-entropy loss achieve strong predictive accuracy but lack the capability to provide inherent predictive uncertainty estimates, thus requiring external techniques to obtain these estimates. In…

Machine Learning · Statistics 2026-04-08 Courtney Franzen , Farhad Pourkamali-Anaraki

Reparameterization of variational auto-encoders with continuous random variables is an effective method for reducing the variance of their gradient estimates. In the discrete case, one can perform reparametrization using the Gumbel-Max…

Machine Learning · Computer Science 2019-12-10 Guy Lorberbom , Andreea Gane , Tommi Jaakkola , Tamir Hazan
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