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Deep learning models that leverage large datasets are often the state of the art for modelling molecular properties. When the datasets are smaller (< 2000 molecules), it is not clear that deep learning approaches are the right modelling…

Computational Engineering, Finance, and Science · Computer Science 2022-12-07 Gary Tom , Riley J. Hickman , Aniket Zinzuwadia , Afshan Mohajeri , Benjamin Sanchez-Lengeling , Alan Aspuru-Guzik

Predicting the winner of an election is of importance to multiple stakeholders. To formulate the problem, we consider an independent sequence of categorical data with a finite number of possible outcomes in each. The data is assumed to be…

Applications · Statistics 2024-10-17 Soudeep Deb , Rishideep Roy , Shubhabrata Das

In unsupervised learning, dimensionality reduction is an important tool for data exploration and visualization. Because these aims are typically open-ended, it can be useful to frame the problem as looking for patterns that are enriched in…

Machine Learning · Statistics 2018-11-16 Kristen Severson , Soumya Ghosh , Kenney Ng

Feature selection can facilitate the learning of mixtures of discrete random variables as they arise, e.g. in crowdsourcing tasks. Intuitively, not all workers are equally reliable but, if the less reliable ones could be eliminated, then…

Machine Learning · Statistics 2017-11-28 Vincent Zhao , Steven W. Zucker

This paper is concerned with sample size determination methodology for prediction models. We propose combining the individual calculations via a learning-type curve. We suggest two distinct ways of doing so, a deterministic skeleton of a…

Methodology · Statistics 2024-05-24 Alimu Dayimu , Nikola Simidjievski , Nikolaos Demiris , Jean Abraham

The concept of decomposition in computer science and engineering is considered a fundamental component of computational thinking and is prevalent in design of algorithms, software construction, hardware design, and more. We propose a simple…

Logic in Computer Science · Computer Science 2023-06-22 Dror Fried , Axel Legay , Joël Ouaknine , Moshe Y. Vardi

Many real-world datasets can be divided into groups according to certain salient features (e.g. grouping images by subject, grouping text by font, etc.). Often, machine learning tasks require that these features be represented separately…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-02-16 Dan Andrei Iliescu , Aliaksei Mikhailiuk , Damon Wischik , Rafal Mantiuk

In recent studies, the generalization properties for distributed learning and random features assumed the existence of the target concept over the hypothesis space. However, this strict condition is not applicable to the more common…

Machine Learning · Computer Science 2023-08-30 Jian Li , Yong Liu , Weiping Wang

Consider a discrete memoryless multiple source with $m$ components of which $k \leq m$ possibly different sources are sampled at each time instant and jointly compressed in order to reconstruct all the $m$ sources under a given distortion…

Information Theory · Computer Science 2016-07-15 Vinay Praneeth Boda , Prakash Narayan

Estimating statistical models within sensor networks requires distributed algorithms, in which both data and computation are distributed across the nodes of the network. We propose a general approach for distributed learning based on…

Machine Learning · Computer Science 2012-07-03 Qiang Liu , Alexander Ihler

Supervised learning under measurement constraints is a common challenge in statistical and machine learning. In many applications, despite extensive design points, acquiring responses for all points is often impractical due to resource…

Methodology · Statistics 2025-03-19 Lin Wang

Modern datasets span billions of samples, making training on all available data infeasible. Selecting a high quality subset helps in reducing training costs and enhancing model quality. Submodularity, a discrete analogue of convexity, is…

Machine Learning · Computer Science 2025-04-04 Maximilian Böther , Abraham Sebastian , Pranjal Awasthi , Ana Klimovic , Srikumar Ramalingam

Determinantal point processes (DPPs) offer a powerful approach to modeling diversity in many applications where the goal is to select a diverse subset. We study the problem of learning the parameters (the kernel matrix) of a DPP from…

Machine Learning · Statistics 2014-11-10 Boqing Gong , Wei-lun Chao , Kristen Grauman , Fei Sha

Within psychology, neuroscience and artificial intelligence, there has been increasing interest in the proposal that the brain builds probabilistic models of sensory and linguistic input: that is, to infer a probabilistic model from a…

Machine Learning · Computer Science 2017-08-08 Paul M. B. Vitanyi , Nick Chater

In many application areas, predictive models are used to support or make important decisions. There is increasing awareness that these models may contain spurious or otherwise undesirable correlations. Such correlations may arise from a…

Applications · Statistics 2021-09-21 Emanuele Aliverti , Kristian Lum , James E. Johndrow , David B. Dunson

We study a mini-batch diversification scheme for stochastic gradient descent (SGD). While classical SGD relies on uniformly sampling data points to form a mini-batch, we propose a non-uniform sampling scheme based on the Determinantal Point…

Machine Learning · Computer Science 2017-09-12 Cheng Zhang , Hedvig Kjellstrom , Stephan Mandt

Learning with limited data is one of the biggest problems of machine learning. Current approaches to this issue consist in learning general representations from huge amounts of data before fine-tuning the model on a small dataset of…

Machine Learning · Computer Science 2023-02-22 Grégoire Mialon

The goal of data clustering is to partition data points into groups to minimize a given objective function. While most existing clustering algorithms treat each data point as vector, in many applications each datum is not a vector but a…

Machine Learning · Statistics 2017-03-16 Dinh Phung , Ba-Ngu Bo

When collaborating with an AI system, we need to assess when to trust its recommendations. If we mistakenly trust it in regions where it is likely to err, catastrophic failures may occur, hence the need for Bayesian approaches for…

Artificial Intelligence · Computer Science 2021-02-23 Federico Cerutti , Lance M. Kaplan , Angelika Kimmig , Murat Sensoy

This article carries out a large dimensional analysis of standard regularized discriminant analysis classifiers designed on the assumption that data arise from a Gaussian mixture model with different means and covariances. The analysis…

Machine Learning · Statistics 2019-06-19 Khalil Elkhalil , Abla Kammoun , Romain Couillet , Tareq Y. Al-Naffouri , Mohamed-Slim Alouini