New iterative methods
- Optimization:
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- NPSOL v5.0 update.
- OPT++ method consolidation (from 15 down to 6) and additional constraint coverage (added BCFDNewton and GNewton NIPS).
- Initial rSQP++/MOOCHO interface (large-scale optimization).
- Initial COLINY interface for access to APPS and DIRECT optimizers.
- Uncertainty quantification:
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- New f90 LHS library (not yet publicly available).
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- restricted pairing: enforces the desired correlation in the sample set, whether inducing a user-specified correlation or minimizing correlation for the default uncorrelated case.
- bounded normal and bounded lognormal distributions
- bin-based and point-based histogram distributions
- additional output: sample histograms and achieved correlation in f90 output, coefficient of variation and confidence interval statistics in DAKOTA output.
- consolidation of old/new sampling for LHS/PCE
- MV/AMV/AMV+/FORM reorganization.
- Parameter estimation:
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- New NLSSOL SQP-based generally-constrained nonlinear least squares.
- New least squares iterator branch to support NLSSOL and OPT++ GNewton.
- Sensitivity/statistical analysis:
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- Distribution of DDACE under LGPL.
- Consolidation of function evaluation management routines among design of experiments, UQ sampling, and parameter studies.
New strategies
- Surrogate-based optimization
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- Enhancements to penalty function consistency.
- Enhancements to trust region management and convergence controls.
- New 1st-order additive correction (thanks to Natalia Alexandrov and Michael Lewis for formulation). Improves convergence in SBO test cases employing hierarchical surrogates.
- Optimization under uncertainty (OUU)
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- New trust-region surrogate-based OUU (paper).
- Enhanced data flow in Layered/Nested models.
- Concurrent (Pareto set, Multi-start)
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- New random starts capability (in place of or in combination with user-specified starts).
- New results/timing summaries.
- Parallel scheduling enhancements.
New DAKOTA facilities
- New library mode:
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- Library creation (libdakota.a et al.) and consolidation in Dakota/lib.
- New API for cases when command line arguments are not directly accessible.
- Access to final strategy results.
- Library mode documentation.
- New surrogates:
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- Linear and cubic polynomials to supplement existing quadratic polynomial.
- Enhanced random seed control for multiple sampling sets in DDACE and LHS
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- 4 seed selections: combinations of fixed vs. sequenced and user-specified vs. system-generated.
- Sequenced seeds result in variable sampling patterns which enhance reliability and accelerate convergence in SBO, OUU, and SBOUU.
- New error checking in approximation classes, uncertain variables, PCE, submodel compatibility, and method constraint support.
- Efficiency enhancements:
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- Dropped pre-ANSI C++ mode which allowed for STL streamlining and optimization.
- Additional output control: debug/verbose/normal/quiet/silent settings, -i/-o/-e command line options.
- Evaluation cache and restart deactivation option.
- New MPI intra-communicators to streamline message broadcasts for large parallel runs.
- Streamlined communicator repartitioning in strategies.
- New utilities:
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- Restart repair by evaluation id.
- 3D graphics fonts (PLplot) distributed with executables.
- SQA:
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- Automated DAKOTA testing: nightly build verifications, new regression test facilities employing test matrices, unit testing under development.
- Nightly library testing for SGOPT, PICO, and UTILIB (OPT++, DDACE to follow).
- Requirements/issue tracking (Bugzilla, restricted access), design tracking, release management (automated posting of nightly builds available shortly).
Contributions from the user community
- Distributed testing/issue identification:
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- SGOPT: problem size limitations removed (identified by Michel Beaulieu), real-valued GA bound constraint bug resolved (identified by Hongman Kim), multi_step keyword mismatch resolved (identified by Don Flaggs).
- OPT++: bound constraints fixed in PDS (identified by Don Flaggs), final solution returned properly (identified by Michel Beaulieu).
- DOT/CONMIN: registration of automatic method switches for consistency in output headers (identified by Don Flaggs).
- SBO fraction of cauchy decrease bug resolved (identified by Myles Baker).
- LINUX graphics configuration generalized (identified by Constantine Orogo).
- IBM POE: replaced short hand checks for MPI_REQUEST_NULL (identified by Scott Brandon).
- DEC asynchronous evaluations: activated usleep() function in asynch schedulers as OSF 5.1 is now supporting it (identified by Scott Brandon).
- Enhancement suggestions:
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- Surrogate builds from files (requested by Srinivas Kodiyalam)
- Output of surrogate functional forms (requested by Srinivas Kodiyalam).
- Seed output from SGOPT to allow run recreation (requested by Don Flaggs).
- Response function descriptors (requested by Hongman Kim).
- Contributed code:
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- Cygwin evaluation and initial port (contributed by Hongman Kim).
- Mac OSX evaluation (contributed by Carl Hagelberg).
- Linear polynomial surrogate model (contributed by Myles Baker).
- Direct interface to Phoenix Integration's ModelCenter and merged variable descriptors (contributed by Hongman Kim).