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Faults in high-performance systems are expected to be very large in the current exascale computing era. To compensate for a higher failure rate, the standard checkpoint/restart technique would need to create checkpoints at a much higher…
Deep learning has become increasingly popular in both supervised and unsupervised machine learning thanks to its outstanding empirical performance. However, because of their intrinsic complexity, most deep learning methods are largely…
Many high-performing machine learning models are not interpretable. As they are increasingly used in decision scenarios that can critically affect individuals, it is necessary to develop tools to better understand their outputs. Popular…
Computer science is also an experimental science. This is particularly the case for parallel computing, which is in a total state of flux, and where experiments are necessary to substantiate, complement, and challenge theoretical modeling…
Machine learning (ML) applications that learn from data are increasingly used to automate impactful decisions. Unfortunately, these applications often fall short of adequately managing critical data and complying with upcoming regulations.…
The democratization of Data Mining has been widely successful thanks in part to powerful and easy-to-use Machine Learning libraries. These libraries have been particularly tailored to tackle Supervised Learning. However, strong supervision…
How many times have you tried to re-implement a past CAV tool paper, and failed? Reliably reproducing published scientific discoveries has been acknowledged as a barrier to scientific progress for some time but there remains only a small…
The trend toward open science increases the pressure on authors to provide access to the source code and data they used to compute the results reported in their scientific papers. Since sharing materials reproducibly is challenging, several…
Computational reproducibility, the possibility for independent researchers to exactly reproduce published empirical results, is fundamental to science. Despite its importance, the proportion of research articles aiming for reproducibility…
PiML (read $\pi$-ML, /`pai`em`el/) is an integrated and open-access Python toolbox for interpretable machine learning model development and model diagnostics. It is designed with machine learning workflows in both low-code and high-code…
Laboratory research is a complex, collaborative process that involves several stages, including hypothesis formulation, experimental design, data generation and analysis, and manuscript writing. Although reproducibility and data sharing are…
We introduce GMTHRASHpy, a Python-based application to do forward convolution fits of crossed molecular beams experiments. The code is designed to be easy-to-use and widely-available, so as to be of value to anyone wanting to reproduce data…
Reproducibility of computationally-derived scientific discoveries should be a certainty. As the product of several person-years' worth of effort, results -- whether disseminated through academic journals, conferences or exploited through…
Interpretability can be critical for the safe and responsible use of machine learning models in high-stakes applications. So far, evolutionary computation (EC), in particular in the form of genetic programming (GP), represents a key enabler…
The task of developing a machine learning (ML) model for a particular problem is inherently open-ended, and there is an unbounded set of possible solutions. Steps of the ML development pipeline, such as feature engineering, loss function…
This white paper introduces my educational community initiative to learn how to run AI, ML and other emerging workloads in the most efficient and cost-effective way across diverse models, data sets, software and hardware. This project…
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…
This paper introduces reproducible research, and explains its importance, benefits and challenges. Some important tools for conducting reproducible research in Transportation Research are also introduced. Moreover, the source code for…
The reproducibility of scientific articles is central to the advancement of science. Despite this importance, evaluating reproducibility remains challenging due to the scarcity of ground truth data. Predictive models can address this…
As researchers and practitioners of applied machine learning, we are given a set of requirements on the problem to be solved, the plausibly obtainable data, and the computational resources available. We aim to find (within those bounds)…