1 code implementation • 18 May 2023 • Javier E Santos, Zachary R. Fox, Nicholas Lubbers, Yen Ting Lin
Generalizing from specific (Gaussian) forward processes to discrete-state processes without a variational approximation sheds light on how to interpret diffusion models, which we discuss.
Ranked #13 on Image Generation on CelebA 64x64
no code implementations • 20 Sep 2022 • Satish Karra, Mohamed Mehana, Nicholas Lubbers, Yu Chen, Abdourahmane Diaw, Javier E. Santos, Aleksandra Pachalieva, Robert S. Pavel, Jeffrey R. Haack, Michael McKerns, Christoph Junghans, Qinjun Kang, Daniel Livescu, Timothy C. Germann, Hari S. Viswanathan
Throughout computational science, there is a growing need to utilize the continual improvements in raw computational horsepower to achieve greater physical fidelity through scale-bridging over brute-force increases in the number of mesh elements.
no code implementations • 10 Feb 2021 • Javier Santos, Ying Yin, Honggeun Jo, Wen Pan, Qinjun Kang, Hari Viswanathan, Masa Prodanovic, Michael Pyrcz, Nicholas Lubbers
The permeability of complex porous materials can be obtained via direct flow simulation, which provides the most accurate results, but is very computationally expensive.
no code implementations • 9 Jun 2020 • Justin S. Smith, Nicholas Lubbers, Aidan P. Thompson, Kipton Barros
These forces provide much more information than the energy alone.
no code implementations • 6 May 2020 • Javier E. Santos, Mohammed Mehana, Hao Wu, Masa Prodanovic, Michael J. Pyrcz, Qinjun Kang, Nicholas Lubbers, Hari Viswanathan
At this scale, the fluid properties are affected by nanoconfinement effects due to the increased fluid-solid interactions.
1 code implementation • 10 Mar 2020 • Justin S. Smith, Benjamin Nebgen, Nithin Mathew, Jie Chen, Nicholas Lubbers, Leonid Burakovsky, Sergei Tretiak, Hai Ah Nam, Timothy Germann, Saryu Fensin, Kipton Barros
The accuracy and robustness of an ML potential is primarily limited by the quality and diversity of the training dataset.
no code implementations • ICLR Workshop DeepDiffEq 2019 • Arvind T. Mohan, Nicholas Lubbers, Daniel Livescu, Michael Chertkov
Deep learning approaches have shown much promise for physical sciences, especially in dimensionality reduction and compression of large datasets.
no code implementations • 31 Jan 2020 • Arvind T. Mohan, Nicholas Lubbers, Daniel Livescu, Michael Chertkov
In the recent years, deep learning approaches have shown much promise in modeling complex systems in the physical sciences.
Computational Physics
3 code implementations • 28 Jan 2018 • Justin S. Smith, Ben Nebgen, Nicholas Lubbers, Olexandr Isayev, Adrian E. Roitberg
In this work, we present a fully automated approach for the generation of datasets with the intent of training universal ML potentials.
no code implementations • 29 Sep 2017 • Nicholas Lubbers, Justin S. Smith, Kipton Barros
We introduce the Hierarchically Interacting Particle Neural Network (HIP-NN) to model molecular properties from datasets of quantum calculations.
Ranked #13 on Formation Energy on QM9
1 code implementation • 19 Feb 2017 • Bertrand Rouet-Leduc, Claudia Hulbert, Nicholas Lubbers, Kipton Barros, Colin Humphreys, Paul A. Johnson
Forecasting fault failure is a fundamental but elusive goal in earthquake science.
Geophysics
no code implementations • 8 Nov 2016 • Nicholas Lubbers, Turab Lookman, Kipton Barros
We use activations in a pre-trained convolutional neural network to provide a high-dimensional characterization of a set of synthetic microstructural images.
3 code implementations • 15 Mar 2012 • A. Liam Fitzpatrick, Wick Haxton, Emanuel Katz, Nicholas Lubbers, Yiming Xu
We extend and explore the general non-relativistic effective theory of dark matter (DM) direct detection.
High Energy Physics - Phenomenology Cosmology and Nongalactic Astrophysics