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Machine learning (ML) pipeline composition and optimisation have been studied to seek multi-stage ML models, i.e. preprocessor-inclusive, that are both valid and well-performing. These processes typically require the design and traversal of…

We consider an on-line system identification setting, in which new data become available at given time steps. In order to meet real-time estimation requirements, we propose a tailored Bayesian system identification procedure, in which the…

When a machine-learning algorithm makes biased decisions, it can be helpful to understand the sources of disparity to explain why the bias exists. Towards this, we examine the problem of quantifying the contribution of each individual…

Purpose: Machine learning is broadly used for clinical data analysis. Before training a model, a machine learning algorithm must be selected. Also, the values of one or more model parameters termed hyper-parameters must be set. Selecting…

This work facilitates ensuring fairness of machine learning in the real world by decoupling fairness considerations in compound decisions. In particular, this work studies how fairness propagates through a compound decision-making…

Effective credit risk management is fundamental to financial decision-making, requiring robust models to predict default probabilities and classify financial entities. Traditional machine learning approaches face significant challenges when…

A machine intelligence pipeline usually consists of six components: problem, representation, model, loss, optimizer and metric. Researchers have worked hard trying to automate many components of the pipeline. However, one key component of…

Machine learning methods usually depend on internal parameters -- so called hyperparameters -- that need to be optimized for best performance. Such optimization poses a burden on machine learning practitioners, requiring expert knowledge,…

Image clustering is a particularly challenging computer vision task, which aims to generate annotations without human supervision. Recent advances focus on the use of self-supervised learning strategies in image clustering, by first…

Modern data science relies on data analytic pipelines to organize interdependent computational steps. Such analytic pipelines often involve different algorithms across multiple steps, each with its own hyperparameters. To achieve the best…

Increasingly larger number of software systems today are including data science components for descriptive, predictive, and prescriptive analytics. The collection of data science stages from acquisition, to cleaning/curation, to modeling,…

Missing data has a ubiquitous presence in real-life applications of machine learning techniques. Imputation methods are algorithms conceived for restoring missing values in the data, based on other entries in the database. The choice of the…

Solutions to the Algorithm Selection Problem (ASP) in machine learning face the challenge of high computational costs associated with evaluating various algorithms' performances on a given dataset. To mitigate this cost, the meta-learning…

Background: We describe an informatics framework for researchers and clinical investigators to efficiently perform parameter sensitivity analysis and auto-tuning for algorithms that segment and classify image features in a large dataset of…

We propose a homotopy sampling procedure, loosely based on importance sampling. Starting from a known probability distribution, the homotopy procedure generates the unknown normalization of a target distribution. In the context of…

Anomaly detection describes methods of finding abnormal states, instances or data points that differ from a normal value space. Industrial processes are a domain where predicitve models are needed for finding anomalous data instances for…

Hyperparameter optimization constitutes a large part of typical modern machine learning workflows. This arises from the fact that machine learning methods and corresponding preprocessing steps often only yield optimal performance when…

Optimization is ubiquitous in our daily lives. In the past, (sub-)optimal solutions to any problem have been derived by trial and error, sheer luck, or the expertise of knowledgeable individuals. In our contemporary age, there thankfully…

Automated analyses of the outcome of a simulation have been an important part of atomistic modeling since the early days, addressing the need of linking the behavior of individual atoms and the collective properties that are usually the…

Automated Machine Learning encompasses a set of meta-algorithms intended to design and apply machine learning techniques (e.g., model selection, hyperparameter tuning, model assessment, etc.). TPOT, a software for optimizing machine…