no code implementations • 24 Feb 2024 • Wuyang Chen, Jialin Song, Pu Ren, Shashank Subramanian, Dmitriy Morozov, Michael W. Mahoney
To reduce the need for training data with simulated solutions, we pretrain neural operators on unlabeled PDE data using reconstruction-based proxy tasks.
no code implementations • 2 Oct 2023 • Annan Yu, Arnur Nigmetov, Dmitriy Morozov, Michael W. Mahoney, N. Benjamin Erichson
An example is the structured state-space sequence (S4) layer, which uses the diagonal-plus-low-rank structure of the HiPPO initialization framework.
no code implementations • 10 Nov 2020 • Arnur Nigmetov, Aditi S. Krishnapriyan, Nicole Sanderson, Dmitriy Morozov
Optimization, a key tool in machine learning and statistics, relies on regularization to reduce overfitting.
no code implementations • 30 Oct 2020 • Nicolas Swenson, Aditi S. Krishnapriyan, Aydin Buluc, Dmitriy Morozov, Katherine Yelick
Understanding protein structure-function relationships is a key challenge in computational biology, with applications across the biotechnology and pharmaceutical industries.
Graph Representation Learning Protein Function Prediction +1
no code implementations • 1 Oct 2020 • Aditi S. Krishnapriyan, Joseph Montoya, Maciej Haranczyk, Jens Hummelshøj, Dmitriy Morozov
Machine learning has emerged as a powerful approach in materials discovery.
BIG-bench Machine Learning Interpretable Machine Learning +1
no code implementations • 16 Jan 2020 • Aditi S. Krishnapriyan, Maciej Haranczyk, Dmitriy Morozov
Our results not only show a considerable improvement compared to the baseline, but they also highlight that topological features capture information complementary to the structural features: this is especially important for the adsorption at low pressure, a task particularly difficult for the traditional features.
no code implementations • 17 May 2019 • Timur Takhtaganov, Zarija Lukic, Juliane Mueller, Dmitriy Morozov
Cosmological probes pose an inverse problem where the measurement result is obtained through observations, and the objective is to infer values of model parameters which characterize the underlying physical system -- our Universe.
Instrumentation and Methods for Astrophysics Cosmology and Nongalactic Astrophysics
1 code implementation • 30 Oct 2017 • Penporn Koanantakool, Alnur Ali, Ariful Azad, Aydin Buluc, Dmitriy Morozov, Leonid Oliker, Katherine Yelick, Sang-Yun Oh
Across a variety of scientific disciplines, sparse inverse covariance estimation is a popular tool for capturing the underlying dependency relationships in multivariate data.
1 code implementation • 28 Jul 2011 • Vin de Silva, Dmitriy Morozov, Mikael Vejdemo-Johansson
We consider sequences of absolute and relative homology and cohomology groups that arise naturally for a filtered cell complex.
Algebraic Topology Computational Geometry