March 2023 Release of SEAVEAtk

EasyVVUQ – v1.2

Documentation: https://easyvvuq.readthedocs.io/en/latest/

Code: https://github.com/UCL-CCS/EasyVVUQ/releases/tag/v1.2

New features:

  • New Simplex Stochastic Collocation sampler for irregular outputs, e.g. with discontinuities or high gradients in the stochastic input space. Works for scalar QoI only thus far.
  • Grid-Search sampler, (e.g. for neural-network hyper parameter tuning).
  • HDF5 decoder to allow for reading HDF5 output files, useful when dealing with outputs of different size.

Tutorials:

  • SSC tutorial: https://github.com/UCL-CCS/EasyVVUQ/blob/dev/tutorials/simplex_stochastic_collocation_tutorial.ipynb
  • Hyperparameter tuning tutorial, local sampling: https://github.com/UCL-CCS/EasyVVUQ/blob/dev/tutorials/hyperparameter_tuning_tutorial.ipyn
  • Hyperparameter tuning tutorial, remote sampling with FabSim3: https://github.com/UCL-CCS/EasyVVUQ/blob/dev/tutorials/hyperparameter_tuning_tutorial_with_fabsim.ipynb

Usability updates:

  • Make it more obvious how to import a pandas dataframe containing cases to be considered
  • Make it more obvious how to massage the results from the runs before performing the PCE/SC/MC analysis

FabSim3 – v3.71

Documentation: https://fabsim3.readthedocs.io/en/latest/ 

Code and tutorials: https://github.com/djgroen/FabSim3/releases/tag/v3.71

New features:

  • New VVP tutorials in the readthedocs site.
  • More HPC access modes for automated access.
  • Extended multiplexing documentation.
  • Improved support and documentation for QCG-Pilotjob installation on remote machines.
  • Add support for continuing replicated simulation runs by using the replica_start_number argument in run_ensemble.
  • Plugin developments
    ○ Initial version of FabParticleDA.
    ○ Initial version of FabDynamics
    ○ FabFlee: added built-in visualization tools, and updated to support Flee 3.0

QCG-PilotJob – v0.14.0

Documentation: https://qcg-pilotjob.readthedocs.io

Code: https://github.com/psnc-qcg/QCG-PilotJob/releases/tag/v0.14.0

New features:

  • Support for QCG-PJ on the ARCHER2 supercomputer.
  • High level interface with EasyVVUQ for novice users.
  • Improved handling of custom arguments for LocalManager in QCGPJExecutor
  • Fixed dependencies of zmq package
  • Improved script element handling of in various parallel modes
  • Changed the method of gathering available CPU identifiers
  • A range of minor improvements

Bugfixes:

  • Improved handling of custom arguments for LocalManager in QCGPJExecutor
  • Fixed dependencies of zmq package
  • Improved script element handling of in various parallel modes
  • Fixed bug undefined variable
  • Typo in service arguments

Other Improvements

  • Changed the method of gathering available CPU identifiers

MUSCLE3 – v0.6.0

Documentation: https://muscle3.readthedocs.io/en/latest/

Code: https://github.com/multiscale/muscle3/releases/

Updates:

  •  Connecting multiple conduits to outgoing ports
  • Initial checkpointing support (Python only preview)
  • Support for Intel compilers & clang.
  • TCP latency improvements
  • Small improvements to error messages and documentationEasySurrogate

EasySurrogate

Updates:

  • Added Dropout regularization. Tutorial and documentation on this feature is forthcoming

MOGP – v0.72

Documentation: https://github.com/alan-turing-institute/mogp-emulator/tree/main/mogp_emulator/demos

Code: https://github.com/alan-turing-institute/mogp-emulator/releases/tag/v0.7.2

Updates:

  • Bugfix release to fix a few outstanding issues. Fixes issues #241 and #242. Changes in this release:
  • Update to Dimension Reduction to improve memory usage with some additional tests
  • Update to documentation to reflect new dependency requirements
  • Improvements to GPU build script in setup.py to remove outdated shared object library files.