Ankit Shrivastava

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About me

I’m a Computational and Machine Learning Scientist and currently an applied mathematician at the Computational Science and Mathematics Division of Oak Ridge National Laboratory.

My research centers on advancing and applying techniques in machine learning, signal and image processing, uncertainty quantification, high performance computing and numerical modeling to tackle real-world challenges. I focus on building models that are not only mathematically sound but also impactful in practical settings, often through interdisciplinary collaboration.

My work spans a variety of scientific domains, including materials science, solid mechanics, structural engineering, fluid dynamics, medical imaging and power systems.

I also serve as a reviewer for several leading peer-reviewed journals in the fields of applied mathematics, mechanics, uncertainty quantification, and computational science

Research interests

Machine Learning
Active Learning (BO / RL)
Physics Informed ML
Multimodal / Multifidelity / Multiscale ML
Manifold Learning
Inverse Problems
Explainable AI (XAI)
Computational Modeling
Numerical Methods for PDEs
Multiscale & Multiphysics Modeling
Numerical Linear Algebra
Optimization
High-Performance Computing (HPC)

Skills and Expertise

Tools

Machine Learning Libraries

  • PyTorch
    Proficient
  • TensorFlow
    Proficient
  • BoTorch
    Advanced
  • R
    Proficient

Software Development

  • Python
    Advanced
  • C
    Proficient
  • C++
    Proficient

High Performance Computing

  • CUDA
    Intermediate
  • OpenMP
    Intermediate
  • MPI
    Intermediate

Simulation & Modeling Tools

  • FEniCS
    Proficient
  • LAMMPS
    Intermediate

Models & Algorithms

Neural Networks

  • Convolutional Neural Networks (CNNs)
  • Autoencoders
  • Physics-Informed Neural Networks (PINNs)
  • Manifold Learning

Optimization & Learning

  • Bayesian Optimization
  • Evolutionary Optimization

Data Processing

  • PCA (Principal Component Analysis)
  • Saliency Mapping Algorithms

Selected Publications

  1. Bayesian optimization for stable properties amid processing fluctuations in sputter deposition
    Ankit Shrivastava, Matias Kalaswad, Joyce O. Custer, and 2 more authors
    Journal of Vacuum Science & Technology A, Apr 2024
  2. Predicting peak stresses in microstructured materials using convolutional encoder–decoder learning
    Ankit Shrivastava, Jingxiao Liu, Kaushik Dayal, and 1 more author
    Mathematics and Mechanics of Solids, Apr 2022
  3. Spatio-Temporal Super-Resolution of Dynamical Systems using Physics-Informed Deep-Learning
    Rajat Arora and Ankit Shrivastava
    Apr 2022