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Adequately generating and evaluating prediction models based on supervised machine learning (ML) is often challenging, especially for less experienced users in applied research areas. Special attention is required in settings where the…

The wide-spread adoption of representation learning technologies in clinical decision making strongly emphasizes the need for characterizing model reliability and enabling rigorous introspection of model behavior. While the former need is…

Machine Learning · Computer Science 2020-05-01 Jayaraman J. Thiagarajan , Prasanna Sattigeri , Deepta Rajan , Bindya Venkatesh

Specifying a Bayesian prior is notoriously difficult for complex models such as neural networks. Reasoning about parameters is made challenging by the high-dimensionality and over-parameterization of the space. Priors that seem benign and…

Machine Learning · Statistics 2020-10-22 Eric Nalisnick , Jonathan Gordon , José Miguel Hernández-Lobato

The integration of machine learning techniques in materials discovery has become prominent in materials science research and has been accompanied by an increasing trend towards open-source data and tools to propel the field. Despite the…

Materials Science · Physics 2026-05-27 Daniel Persaud , Logan Ward , Jason Hattrick-Simpers

Learning good representations of historical contexts is one of the core challenges of reinforcement learning (RL) in partially observable environments. While self-predictive auxiliary tasks have been shown to improve performance in fully…

Machine Learning · Computer Science 2025-03-11 Jeongyeol Kwon , Liu Yang , Robert Nowak , Josiah Hanna

The key to success in machine learning (ML) is the use of effective data representations. Traditionally, data representations were hand-crafted. Recently it has been demonstrated that, given sufficient data, deep neural networks can learn…

Machine Learning · Computer Science 2018-11-09 Ivan Olier , Oghenejokpeme I. Orhobor , Joaquin Vanschoren , Ross D. King

Machine learning (ML) is increasingly adopted in scientific research, yet the quality and reliability of results often depend on how experiments are designed and documented. Poor baselines, inconsistent preprocessing, or insufficient…

Machine Learning · Computer Science 2025-12-01 Umberto Michelucci , Francesca Venturini

Learning meaningful representations of data is an important aspect of machine learning and has recently been successfully applied to many domains like language understanding or computer vision. Instead of training a model for one specific…

Machine Learning · Computer Science 2021-06-16 Peter Pfeiffer , Johannes Lahann , Peter Fettke

The large majority of inferences drawn in empirical political research follow from model-based associations (e.g. regression). Here, we articulate the benefits of predictive modeling as a complement to this approach. Predictive models aim…

Methodology · Statistics 2016-12-20 Skyler J. Cranmer , Bruce A. Desmarais

Machine learning is expected to fuel significant improvements in medical care. To ensure that fundamental principles such as beneficence, respect for human autonomy, prevention of harm, justice, privacy, and transparency are respected,…

Machine learning models built on datasets containing discriminative instances attributed to various underlying factors result in biased and unfair outcomes. It's a well founded and intuitive fact that existing bias mitigation strategies…

Machine Learning · Computer Science 2022-10-25 Bhushan Chaudhari , Akash Agarwal , Tanmoy Bhowmik

Selective Prediction is the task of rejecting inputs a model would predict incorrectly on. This involves a trade-off between input space coverage (how many data points are accepted) and model utility (how good is the performance on accepted…

Most research designing novel predictive models, or employing existing ones, assumes that training and testing data are independent and identically distributed. In practice, the data encountered at serving time often deviate from the…

Machine Learning · Computer Science 2026-03-30 Hanyu Duan , Yi Yang , Ahmed Abbasi , Kar Yan Tam

Many real-world decision processes are modeled by optimization problems whose defining parameters are unknown and must be inferred from observable data. The Predict-Then-Optimize framework uses machine learning models to predict unknown…

Machine Learning · Computer Science 2023-11-23 James Kotary , Vincenzo Di Vito , Jacob Christopher , Pascal Van Hentenryck , Ferdinando Fioretto

The application of deep learning in robotics leads to very specific problems and research questions that are typically not addressed by the computer vision and machine learning communities. In this paper we discuss a number of…

As artificial intelligence and machine learning tools become more accessible, and scientists face new obstacles to data collection (e.g. rising costs, declining survey response rates), researchers increasingly use predictions from…

Methodology · Statistics 2024-02-06 Kentaro Hoffman , Stephen Salerno , Awan Afiaz , Jeffrey T. Leek , Tyler H. McCormick

Interpretable machine learning tackles the important problem that humans cannot understand the behaviors of complex machine learning models and how these models arrive at a particular decision. Although many approaches have been proposed, a…

Machine Learning · Computer Science 2019-05-21 Mengnan Du , Ninghao Liu , Xia Hu

Predictive process monitoring is a subfield of process mining that aims to estimate case or event features for running process instances. Such predictions are of significant interest to the process stakeholders. However, most of the…

Reproducibility of modeling is a problem that exists for any machine learning practitioner, whether in industry or academia. The consequences of an irreproducible model can include significant financial costs, lost time, and even loss of…

Machine Learning · Computer Science 2018-10-11 Peter Sugimura , Florian Hartl

When training data is scarce, the incorporation of additional prior knowledge can assist the learning process. While it is common to initialize neural networks with weights that have been pre-trained on other large data sets, pre-training…

Machine Learning · Computer Science 2022-05-24 Laura von Rueden , Sebastian Houben , Kostadin Cvejoski , Christian Bauckhage , Nico Piatkowski
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