Papers citing Big data need big theory too
Blue Chips and White Collars: Whose Data Science Is It?
Harvard Data Science Review · 2021
Seliem El-Sayed, Barbara Prainsack
Read original paper ↗ ·Review of Deep Learning Algorithms in Computational biochemistry
Journal of Physics Conference Series · 2021
Nezar Ismet Sino, Rabah Nory Farhan, Mohammed E. Seno
Read original paper ↗ ·Towards Accountability for Machine Learning Datasets: Practices from Software Engineering and Infrastructure
ACM Conference on Fairness, Accountability, and Transparency (FAccT) · 2021
Ben Hutchinson, Andrew Smart, Alex Hanna, Emily Denton, Christina Greer, Oddur Kjartansson, Parker Barnes, Margaret Mitchell
Read original paper ↗ ·Pandemic Drugs at Pandemic Speed: Infrastructure for Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers
arXiv (Cornell University) · 2021
Agastya P. Bhati, Shunzhou Wan, Dario Alfè, Austin Clyde, Mathis Bode, Tan, Li, Mikhail Titov, André Merzky, Matteo Turilli, Shantenu Jha, Roger Highfield, Walter Rocchia, Nicola Scafuri, Sauro Succi, Kranzlm\"uller, Dieter, Gerald B. Mathias, David Wifling, Yann Donon, Alberto Di Meglio, Sofia Vallecorsa, Heng Ma, Anda Trifan, Arvind Ramanathan, Tom Brettin, Alexander Partin, Fangfang Xia, Xiaotan Duan, Rick L. Stevens, Peter V. Coveney
Read original paper ↗ ·The imperative of physics-based modeling and inverse theory in computational science
Nature Computational Science · 2021
Karen E. Willcox, Omar N. Ghattas, Patrick Heimbach
Read original paper ↗ ·When we can trust computers (and when we can't)
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences · 2021
Peter V. Coveney, Roger Highfield
Read original paper ↗ ·Is Computational Oceanography Coming of Age?
Bulletin of the American Meteorological Society · 2021
Thomas W. N. Haine, Renske Gelderloos, Miguel Angel Jimenez-Urias, Ali Hasan Siddiqui, Gerard Lemson, Dimitri Medvedev, Alexander S. Szalay, Ryan Abernathey, Mattia Almansi, Christopher Hill
Read original paper ↗ ·Risk management focusing on the best practices of data security systems for healthcare
International Journal of Innovation · 2021
Fábio Martins Dias, Mauro Luiz Martens, Sônia Francisca Monken, Luciano Ferreira da Silva, Ernesto D.R. Santibañez González
Read original paper ↗ ·Artificial Intelligence in Drug Design: Algorithms, Applications, Challenges and Ethics
Future Drug Discovery · 2021
Alya A. Arabi
Read original paper ↗ ·Combinatorial enumeration of stereo, chiral and position isomers of polysubstituted halocarbons: applications to machine learning of proton and 35Cl NMR spectroscopy of halocarbons
Theoretical Chemistry Accounts · 2021
K. Balasubramanian
Read original paper ↗ ·Scaling digital twins from the artisanal to the industrial
Nature Computational Science · 2021
Steven Niederer, Michael S. Sacks, Mark Girolami, Karen E. Willcox
Read original paper ↗ ·Futures-oriented drugs policy research: Events, trends, and speculating on what might become
International Journal of Drug Policy · 2021
Tim Rhodes, Kari Lancaster
Read original paper ↗ ·Relevance in the Renormalization Group and in Information Theory
Physical Review Letters · 2021
Amit Gordon, Aditya Banerjee, Maciej Koch-Janusz, Zohar Ringel
Read original paper ↗ ·Data Analysis will not Result in Knowledge Production about Sepsis
Indian Journal of Critical Care Medicine · 2021
Sriram Sampath
Read original paper ↗ ·Integrating explanation and prediction in computational social science
Nature · 2021
Jake M. Hofman, Duncan J. Watts, Susan Carleton Athey, Filiz Garip, Thomas L. Griffiths, Jon M. Kleinberg, Helen Zerlina Margetts, Sendhil Mullainathan, Matthew Salganik, Simine Vazire, Alessandro Vespignani, Tal Yarkoni
Read original paper ↗ ·Ensembles Are Required to Handle Aleatoric and Parametric Uncertainty in Molecular Dynamics Simulation
Journal of Chemical Theory and Computation · 2021
Maxime Vassaux, Shunzhou Wan, Wouter N. Edeling, Peter V. Coveney
Read original paper ↗ ·The machine-learned radii of atoms
Computational and Theoretical Chemistry · 2021
Tymofii Yu. Nikolaienko, Л. А. Булавін
Read original paper ↗ ·A Reflection on Learning from Data: Epistemology Issues and Limitations
arXiv (Cornell University) · 2021
Ahmad Hammoudeh, Sara Tedmori, Nadim Obeid
Read original paper ↗ ·Snapshot Wisconsin: networking community scientists and remote sensing to improve ecological monitoring and management
Ecological Applications · 2021
Philip A. Townsend, John D. J. Clare, Nanfeng Liu, Jennifer L. Stenglein, Christine Anhalt‐Depies, Timothy R. Van Deelen, Neil A. Gilbert, ADITYA KUMAR SINGH, Karl J. Martin, Benjamin Zuckerberg
Read original paper ↗ ·Computational studies of protein–drug binding affinity changes upon mutations in the drug target
Wiley Interdisciplinary Reviews Computational Molecular Science · 2021
Ran Friedman
Read original paper ↗ ·Theory, evidence, policy, and practice of medicine
Medical Journal Armed Forces India · 2021
Prakash SS
Read original paper ↗ ·A fast and efficient deep learning procedure for tracking droplet motion in dense microfluidic emulsions
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences · 2021
Mihir Durve, Fabio Bonaccorso, Andrea Montessori, Marco Lauricella, Adriano Tiribocchi, Sauro Succi
Read original paper ↗ ·Why Probability isn’t Magic
Foundations of Science · 2021
Fabio Rigat
Read original paper ↗ ·Artificial Intelligence, Chaos, Prediction and Understanding in Science
International Journal of Bifurcation and Chaos · 2021
Miguel A. F. Sanjuán
Read original paper ↗ ·Why can we detect lianas from space?
bioRxiv (Cold Spring Harbor Laboratory) · 2021
Marco D. Visser, Matteo Detto, Félicien Meunier, Jin Wu, Jane R. Foster, David C. Marvin, Peter M. van Bodegom, Boris Bongalov, Matheus Henrique Nunes, David A. Coomes, Hans Verbeeck, J. Antonio Guzmán Q., Arturo G. Sánchez-Azofeifa, Chris J. Chandler, Geertje M. F. van der Heijden, Doreen S. Boyd, Giles M. Foody, Mark E. J. Cutler, Eben North Broadbent, Shawn Paul Serbin, Stefan A. Schnitzer, M. Elizabeth Rodríguez‐Ronderos, Frank J. Sterck, José A. Medina‐Vega, S. W. Pacala
Read original paper ↗ ·Personalization of medical treatments in oncology: time for rethinking the disease concept to improve individual outcomes
The EPMA Journal · 2021
Mariano Bizzarri, Valeria Fedeli, Noemi Monti, Alessandra Cucina, Maroua Jalouli, Saleh Hamad Alwasel, Abdel Halim Harrath
Read original paper ↗ ·Miasmas, mental models and preventive public health: some philosophical reflections on science in the COVID-19 pandemic
Interface Focus · 2021
Trisha Greenhalgh
Read original paper ↗ ·The COVID-19 pandemic: when science collided with politics, culture and the human imagination
Interface Focus · 2021
Roger Highfield
Read original paper ↗ ·Digital medicine and the curse of dimensionality
npj Digital Medicine · 2021
Visar Berisha, Chelsea Krantsevich, P. Richard Hahn, Shira Hahn, Gautam Dasarathy, Pavan K. Turaga, Julie Liss
Read original paper ↗ ·Rapid Bayesian Inference for Expensive Stochastic Models
Journal of Computational and Graphical Statistics · 2021
David James Warne, Ruth E. Baker, Matthew J. Simpson
Read original paper ↗ ·Statistical Physics through the Lens of Real-Space Mutual Information
Physical Review Letters · 2021
Doruk Efe Gökmen, Zohar Ringel, Sebastian D. Huber, Maciej Koch-Janusz
Read original paper ↗ ·Artificial intelligence applications in radiotherapy
Venue not supplied by source · 2022
Petros Kalendralis
Read original paper ↗ ·Chemistry
Springer eBooks · 2022
Colin Bird, Jeremy Graham Frey
Read original paper ↗ ·Complexity and Integration
European studies in philosophy of science · 2022
Raffaella Campaner
Read original paper ↗ ·Digital Health Research and Health Data Pools
Munich studies on innovation and competition · 2022
Giulia Schneider
Read original paper ↗ ·Personalized Treatments: Where Patient’s History and Biological Background Meet
Human perspectives in health sciences and technology · 2022
Mariano Bizzarri, Andrea Pensotti, Alessandra Cucina, Noemi Monti, Valeria Fedeli
Read original paper ↗ ·Philosophy of Computing
Philosophical studies series · 2022
Read original paper ↗ ·Zero Sales Resistance: The Dark Side of Big Data and Artificial Intelligence
Cyberpsychology Behavior and Social Networking · 2022
Giuseppe Riva, Brenda K. Wiederhold, Sauro Succi
Read original paper ↗ ·Hybrid modeling: towards the next level of scientific computing in engineering
Journal of Mathematics in Industry · 2022
Stefan Kurz, Herbert De Gersem, Armin Galetzka, Andreas Klaedtke, Melvin Liebsch, Dimitrios Loukrezis, Stephan Russenschuck, Manuel Schmidt
Read original paper ↗ ·Artificial intelligence in the field of economics
Scientometrics · 2022
Steve J. Bickley, Ho Fai Chan, Benno Torgler
Read original paper ↗ ·Large Scale Study of Ligand–Protein Relative Binding Free Energy Calculations: Actionable Predictions from Statistically Robust Protocols
Journal of Chemical Theory and Computation · 2022
Agastya P. Bhati, Peter V. Coveney
Read original paper ↗ ·A Unified Neural Network Framework for Extended Redundancy Analysis
Psychometrika · 2022
Ranjith Vijayakumar, Ji Yeh Choi, Eun Hwa Jung
Read original paper ↗ ·Machine Learning in Computational Chemistry
Venue not supplied by source · 2022
David Kuntz
Read original paper ↗ ·Análisis y diseño de técnicas de preprocesamiento de instancias escalables para problemas no balanceados en Big Data
Venue not supplied by source · 2022
María José Basgall
Read original paper ↗ ·Foreword to the Special Issue in honour of Prof. Luigi Preziosi “Nonlinear mechanics: The driving force of modern applied and industrial mathematics”
International Journal of Non-Linear Mechanics · 2022
Chiara Giverso, Alfio Grillo, Giuseppe Saccomandi
Read original paper ↗ ·On the Integration of Fundamental Knowledge about Degradation Processes into Data-Driven Diagnostics and Prognostics Using Theory-Guided Data Science
PHM Society European Conference · 2022
Simon Hagmeyer, Peter Zeiler, Marco F. Huber
Read original paper ↗ ·Machine learning, artificial intelligence, and chemistry: How smart algorithms are reshaping simulation and the laboratory
Pure and Applied Chemistry · 2022
David Kuntz, Angela K. Wilson
Read original paper ↗ ·MRI-Based Digital Models Forecast Patient-Specific Treatment Responses to Neoadjuvant Chemotherapy in Triple-Negative Breast Cancer
Cancer Research · 2022
Chengyue Wu, Angela M. Jarrett, Zijian Zhou, Nabil A. Elshafeey, Beatriz Elena Adrada, Rosalind P. Candelaria, Rania M. M. Mohamed, Medine Böge, Lei Huo, Jason B. White, Debu Tripathy, Vicente Valero, Jennifer Keating Litton, Clinton Yam, Jong Bum Son, Jingfei Ma, Gaiane Margishvili Rauch, Thomas E. Yankeelov
Read original paper ↗ ·Exploring the potential of in silico machine learning tools for the prediction of acute Daphnia magna nanotoxicity
Chemosphere · 2022
Surendra Balraadjsing, Willie J.G.M. Peijnenburg, Martina G. Vijver
Read original paper ↗ ·Experimental radiation oncology. A real evolution towards a precision therapy?
Annals of Research in Oncology · 2022
Luigi Pirtoli, Marcella Barbarino, R. Giannicola, Pierpaolo Correale, V. Nardone
Read original paper ↗ ·