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Current pharmaceutical formulation development still strongly relies on the traditional trial-and-error approach by individual experiences of pharmaceutical scientists, which is laborious, time-consuming and costly. Recently, deep learning…

Machine Learning · Computer Science 2018-12-05 Yilong Yang , Zhuyifan Ye , Yan Su , Qianqian Zhao , Xiaoshan Li , Defang Ouyang

This work is interested in digital twins, and the development of a simplified framework for them, in the context of dynamical systems. Digital twin is an ingenious concept that helps on organizing different areas of expertise aiming at…

Signal Processing · Electrical Eng. & Systems 2021-01-29 TG Ritto , FA Rochinha

Achieving machine intelligence requires a smooth integration of perception and reasoning, yet models developed to date tend to specialize in one or the other; sophisticated manipulation of symbols acquired from rich perceptual spaces has so…

Machine Learning · Computer Science 2018-09-14 Eric Crawford , Guillaume Rabusseau , Joelle Pineau

Survey scientists increasingly face the problem of high-dimensionality in their research as digitization makes it much easier to construct high-dimensional (or "big") data sets through tools such as online surveys and mobile applications.…

Methodology · Statistics 2021-02-19 Barbara Felderer , Jannis Kueck , Martin Spindler

It has been found that stochastic algorithms often find good solutions much more rapidly than inherently-batch approaches. Indeed, a very useful rule of thumb is that often, when solving a machine learning problem, an iterative technique…

Machine Learning · Computer Science 2013-08-19 Andrew Cotter

Statistical matching is an effective method for estimating causal effects in which treated units are paired with control units with ``similar'' values of confounding covariates prior to performing estimation. In this way, matching helps…

Methodology · Statistics 2023-09-13 Sanjeewani Weerasingha , Michael J. Higgins

Deep learning (DL) is a high dimensional data reduction technique for constructing high-dimensional predictors in input-output models. DL is a form of machine learning that uses hierarchical layers of latent features. In this article, we…

Machine Learning · Statistics 2018-08-06 Nicholas G. Polson , Vadim O. Sokolov

There are two major approaches to building good machine learning algorithms: feeding lots of data into large models, or picking a model class with an ''inductive bias'' that suits the structure of the data. When taking the second approach…

Quantum Physics · Physics 2023-12-08 Kaitlin Gili , Guillermo Alonso , Maria Schuld

We present machine learning estimators for causal and predictive parameters under covariate shift, where covariate distributions differ between training and target populations. One such parameter is the average effect of a policy that…

Methodology · Statistics 2025-09-23 Victor Chernozhukov , Michael Newey , Whitney K Newey , Rahul Singh , Vasilis Syrgkanis

Machine learning methods adapt the parameters of a model, constrained to lie in a given model class, by using a fixed learning procedure based on data or active observations. Adaptation is done on a per-task basis, and retraining is needed…

Machine Learning · Computer Science 2021-10-22 Osvaldo Simeone , Sangwoo Park , Joonhyuk Kang

We present doubly stochastic gradient MCMC, a simple and generic method for (approximate) Bayesian inference of deep generative models (DGMs) in a collapsed continuous parameter space. At each MCMC sampling step, the algorithm randomly…

Machine Learning · Computer Science 2016-03-08 Chao Du , Jun Zhu , Bo Zhang

Understanding and interpreting how machine learning (ML) models make decisions have been a big challenge. While recent research has proposed various technical approaches to provide some clues as to how an ML model makes individual…

Machine Learning · Computer Science 2018-11-09 Wenbo Guo , Sui Huang , Yunzhe Tao , Xinyu Xing , Lin Lin

Recent success in training deep neural networks have prompted active investigation into the features learned on their intermediate layers. Such research is difficult because it requires making sense of non-linear computations performed by…

Machine Learning · Computer Science 2016-03-01 Yixuan Li , Jason Yosinski , Jeff Clune , Hod Lipson , John Hopcroft

This paper is concerned with learning of mixture regression models for individuals that are measured repeatedly. The adjective "unsupervised" implies that the number of mixing components is unknown and has to be determined, ideally by data…

Methodology · Statistics 2018-01-09 Peirong Xu , Heng Peng , Tao Huang

Applications of machine learning tools to problems of physical interest are often criticized for producing sensitivity at the expense of transparency. To address this concern, we explore a data planing procedure for identifying combinations…

High Energy Physics - Phenomenology · Physics 2018-03-29 Spencer Chang , Timothy Cohen , Bryan Ostdiek

There is a long history in machine learning of model ensembling, beginning with boosting and bagging and continuing to the present day. Much of this history has focused on combining models for classification and regression, but recently…

Machine Learning · Computer Science 2024-05-28 Ira Globus-Harris , Varun Gupta , Michael Kearns , Aaron Roth

To understand and predict the performance of scientific applications, several analytical and machine learning approaches have been proposed, each having its advantages and disadvantages. In this paper, we propose and validate a hybrid…

Performance · Computer Science 2019-02-27 Huda Ibeid , Siping Meng , Oliver Dobon , Luke Olson , William Gropp

A set of probabilistic predictions is well calibrated if the events that are predicted to occur with probability p do in fact occur about p fraction of the time. Well calibrated predictions are particularly important when machine learning…

Machine Learning · Statistics 2014-01-14 Mahdi Pakdaman Naeini , Gregory F. Cooper , Milos Hauskrecht

This paper explores interpretability techniques for two of the most successful learning algorithms in medical decision-making literature: deep neural networks and random forests. We applied these algorithms in a real-world medical dataset…

Machine Learning · Computer Science 2020-02-24 Catarina Moreira , Renuka Sindhgatta , Chun Ouyang , Peter Bruza , Andreas Wichert

Compressed Learning (CL) is a joint signal processing and machine learning framework for inference from a signal, using a small number of measurements obtained by linear projections of the signal. In this paper we present an end-to-end deep…

Computer Vision and Pattern Recognition · Computer Science 2016-11-01 Amir Adler , Michael Elad , Michael Zibulevsky
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