End-to-end Phase Field Model Discovery Combining Experimentation,
Crowdsourcing, Simulation and Learning
- URL: http://arxiv.org/abs/2311.12801v1
- Date: Wed, 13 Sep 2023 22:44:04 GMT
- Title: End-to-end Phase Field Model Discovery Combining Experimentation,
Crowdsourcing, Simulation and Learning
- Authors: Md Nasim, Anter El-Azab, Xinghang Zhang, Yexiang Xue
- Abstract summary: We present Phase-Field-Lab platform for end-to-end phase field model discovery.
Phase-Field-Lab combines (i) a streamlined annotation tool which reduces the annotation time; (ii) an end-to-end neural model which automatically learns phase field models from data; and (iii) novel interfaces and visualizations.
Our platform is deployed in the analysis of nano-structure evolution in materials under extreme conditions.
- Score: 9.763339269757227
- License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
- Abstract: The availability of tera-byte scale experiment data calls for AI driven
approaches which automatically discover scientific models from data.
Nonetheless, significant challenges present in AI-driven scientific discovery:
(i) The annotation of large scale datasets requires fundamental re-thinking in
developing scalable crowdsourcing tools. (ii) The learning of scientific models
from data calls for innovations beyond black-box neural nets. (iii) Novel
visualization and diagnosis tools are needed for the collaboration of
experimental and theoretical physicists, and computer scientists. We present
Phase-Field-Lab platform for end-to-end phase field model discovery, which
automatically discovers phase field physics models from experiment data,
integrating experimentation, crowdsourcing, simulation and learning.
Phase-Field-Lab combines (i) a streamlined annotation tool which reduces the
annotation time (by ~50-75%), while increasing annotation accuracy compared to
baseline; (ii) an end-to-end neural model which automatically learns phase
field models from data by embedding phase field simulation and existing domain
knowledge into learning; and (iii) novel interfaces and visualizations to
integrate our platform into the scientific discovery cycle of domain
scientists. Our platform is deployed in the analysis of nano-structure
evolution in materials under extreme conditions (high temperature and
irradiation). Our approach reveals new properties of nano-void defects, which
otherwise cannot be detected via manual analysis.
Related papers
- Diffusion posterior sampling for simulation-based inference in tall data settings [53.17563688225137]
Simulation-based inference ( SBI) is capable of approximating the posterior distribution that relates input parameters to a given observation.
In this work, we consider a tall data extension in which multiple observations are available to better infer the parameters of the model.
We compare our method to recently proposed competing approaches on various numerical experiments and demonstrate its superiority in terms of numerical stability and computational cost.
arXiv Detail & Related papers (2024-04-11T09:23:36Z) - Learning Latent Dynamics via Invariant Decomposition and
(Spatio-)Temporal Transformers [0.6767885381740952]
We propose a method for learning dynamical systems from high-dimensional empirical data.
We focus on the setting in which data are available from multiple different instances of a system.
We study behaviour through simple theoretical analyses and extensive experiments on synthetic and real-world datasets.
arXiv Detail & Related papers (2023-06-21T07:52:07Z) - Machine learning enabled experimental design and parameter estimation
for ultrafast spin dynamics [54.172707311728885]
We introduce a methodology that combines machine learning with Bayesian optimal experimental design (BOED)
Our method employs a neural network model for large-scale spin dynamics simulations for precise distribution and utility calculations in BOED.
Our numerical benchmarks demonstrate the superior performance of our method in guiding XPFS experiments, predicting model parameters, and yielding more informative measurements within limited experimental time.
arXiv Detail & Related papers (2023-06-03T06:19:20Z) - Online simulator-based experimental design for cognitive model selection [74.76661199843284]
We propose BOSMOS: an approach to experimental design that can select between computational models without tractable likelihoods.
In simulated experiments, we demonstrate that the proposed BOSMOS technique can accurately select models in up to 2 orders of magnitude less time than existing LFI alternatives.
arXiv Detail & Related papers (2023-03-03T21:41:01Z) - EINNs: Epidemiologically-Informed Neural Networks [75.34199997857341]
We introduce a new class of physics-informed neural networks-EINN-crafted for epidemic forecasting.
We investigate how to leverage both the theoretical flexibility provided by mechanistic models as well as the data-driven expressability afforded by AI models.
arXiv Detail & Related papers (2022-02-21T18:59:03Z) - Mixed Effects Neural ODE: A Variational Approximation for Analyzing the
Dynamics of Panel Data [50.23363975709122]
We propose a probabilistic model called ME-NODE to incorporate (fixed + random) mixed effects for analyzing panel data.
We show that our model can be derived using smooth approximations of SDEs provided by the Wong-Zakai theorem.
We then derive Evidence Based Lower Bounds for ME-NODE, and develop (efficient) training algorithms.
arXiv Detail & Related papers (2022-02-18T22:41:51Z) - Using scientific machine learning for experimental bifurcation analysis
of dynamic systems [2.204918347869259]
This study focuses on training universal differential equation (UDE) models for physical nonlinear dynamical systems with limit cycles.
We consider examples where training data is generated by numerical simulations, whereas we also employ the proposed modelling concept to physical experiments.
We use both neural networks and Gaussian processes as universal approximators alongside the mechanistic models to give a critical assessment of the accuracy and robustness of the UDE modelling approach.
arXiv Detail & Related papers (2021-10-22T15:43:03Z) - Deep Bayesian Active Learning for Accelerating Stochastic Simulation [74.58219903138301]
Interactive Neural Process (INP) is a deep active learning framework for simulations and with active learning approaches.
For active learning, we propose a novel acquisition function, Latent Information Gain (LIG), calculated in the latent space of NP based models.
The results demonstrate STNP outperforms the baselines in the learning setting and LIG achieves the state-of-the-art for active learning.
arXiv Detail & Related papers (2021-06-05T01:31:51Z) - Cognitive simulation models for inertial confinement fusion: Combining
simulation and experimental data [0.0]
Researchers rely heavily on computer simulations to explore the design space in search of high-performing implosions.
For more effective design and investigation, simulations require input from past experimental data to better predict future performance.
We describe a cognitive simulation method for combining simulation and experimental data into a common, predictive model.
arXiv Detail & Related papers (2021-03-19T02:00:14Z) - Embedded-physics machine learning for coarse-graining and collective
variable discovery without data [3.222802562733787]
We present a novel learning framework that consistently embeds underlying physics.
We propose a novel objective based on reverse Kullback-Leibler divergence that fully incorporates the available physics in the form of the atomistic force field.
We demonstrate the algorithmic advances in terms of predictive ability and the physical meaning of the revealed CVs for a bimodal potential energy function and the alanine dipeptide.
arXiv Detail & Related papers (2020-02-24T10:28:41Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.