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bayes estimator of wishart matrix: ppegolo/wishart #74

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f7b0b2a
Add bayes.py
ppegolo Apr 26, 2023
8112828
Bayesian analysis for the off-diag matrix element
ppegolo Apr 28, 2023
e139561
Fix python version for mac
ppegolo Apr 28, 2023
730fe3a
latest changes of the code.
enrdrigo Jan 22, 2024
f1e6730
Update setup.json
ppegolo Feb 12, 2024
57d9a61
Add emcee requirement in setup.json
ppegolo Feb 14, 2024
febcd27
adding examples and notebook for the bayesian regression
enrdrigo Feb 19, 2024
b1f7de5
Merge remote-tracking branch 'origin/bayes' into bayes
enrdrigo Feb 19, 2024
1a595c6
Start implementing Wishart distribution
ppegolo May 22, 2024
12defbb
Start implementing Bayesian estimate of the Wishart matrix
ppegolo May 22, 2024
c8543b9
First commit of new branch
ppegolo Jun 13, 2024
56174ac
Add notebook
ppegolo Jun 20, 2024
ccaa852
Update gitignore
ppegolo Jun 20, 2024
a30c535
Update Maximum Likelihood Wishart matrix estimation
ppegolo Jun 20, 2024
2a3a7d3
Implement AIC for maxlike
ppegolo Jun 23, 2024
7b0818e
Update NLL estimator
ppegolo Jul 11, 2024
160fe88
Update NLL example
ppegolo Jul 11, 2024
dcaa678
Start testing single matrix element NLL estimates
ppegolo Aug 2, 2024
9b09ea6
Fix diagonal estimate
ppegolo Aug 9, 2024
cfbf5e4
Merge pull request #3 from sissaschool/master
ppegolo Sep 16, 2024
0a14a45
AIC exit criterion
ppegolo Sep 18, 2024
4f150ab
Lint
ppegolo Sep 18, 2024
0e07793
Restore normalization in likelihood for Akaike
ppegolo Sep 18, 2024
8dcb5e2
Minor fixes
Sep 18, 2024
2de0b26
Merge branch 'wishart' of github.com:ppegolo/sportran into wishart
Sep 18, 2024
b2fe641
sum->mean
ppegolo Sep 18, 2024
b766e14
assert
ppegolo Sep 18, 2024
605824c
Linting
ppegolo Sep 19, 2024
07a9e32
Linting
ppegolo Sep 19, 2024
0b305cf
Linting
ppegolo Sep 19, 2024
d81c642
Refactoring
ppegolo Sep 19, 2024
14d2503
Refactoring
ppegolo Sep 19, 2024
633a22b
fix pre-commit compliance
ppegolo Sep 19, 2024
9af986e
Fix (in a silly way) a line invoking a removed matplotlib method
ppegolo Sep 19, 2024
4747192
Idem
ppegolo Sep 19, 2024
d205974
Update maxlike example
ppegolo Sep 20, 2024
61b647a
Refactor maxlike (#4)
ppegolo Sep 26, 2024
6caaaca
Fix _compute_moving_average
ppegolo Sep 26, 2024
29f3c0b
example resample prior
enrdrigo Sep 26, 2024
32cfda4
optimizing the prior via resampling
enrdrigo Oct 1, 2024
5baf2d9
initialization of alpha
enrdrigo Oct 1, 2024
3eb0884
reshape forse è più chiaro
enrdrigo Oct 1, 2024
46c98be
Linting and documentation
ppegolo Oct 1, 2024
dcee3a8
Fix shape inconsistency
ppegolo Oct 2, 2024
5b777dc
Add epsilon to avoid underflow
ppegolo Oct 2, 2024
f833b4e
warning undeflow logarithm
enrdrigo Oct 2, 2024
750c1a1
Merge remote-tracking branch 'origin/wishart' into wishart
enrdrigo Oct 2, 2024
cc8cd2a
fix warning undeflow logarithm without regularization
enrdrigo Oct 2, 2024
0f33cb2
Fix the NLL definition for the Chi-square case; minor changes and lin…
ppegolo Oct 15, 2024
4087cdb
Delete file
ppegolo Oct 15, 2024
1245e3c
Avoid stashing
ppegolo Oct 15, 2024
f20b21d
Clean-up
ppegolo Oct 15, 2024
d870ce8
Fix pre-commit for CI
ppegolo Oct 15, 2024
93fcc47
removed idea editor files and added gitignore
rikigigi Dec 27, 2024
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18 changes: 9 additions & 9 deletions .github/workflows/ci.yml
Original file line number Diff line number Diff line change
Expand Up @@ -9,21 +9,21 @@ jobs:

steps:
- name: Checkout
uses: actions/checkout@v2
uses: actions/checkout@v4

- name: Cache python dependencies
id: cache-pip
uses: actions/cache@v1
uses: actions/cache@v4
with:
path: ~/.cache/pip
key: pip-pre-commit-${{ hashFiles('**/setup.json') }}
restore-keys:
pip-pre-commit-

- name: Set up Python 3.8
uses: actions/setup-python@v2
- name: Set up Python 3.9
uses: actions/setup-python@v5
with:
python-version: '3.8'
python-version: '3.9'

- name: Install python dependencies
run:
Expand All @@ -39,23 +39,23 @@ jobs:

strategy:
matrix:
python-version: ['3.7', '3.8', '3.9', '3.10', '3.11']
python-version: ['3.9', '3.10', '3.11', '3.12', '3.13']

steps:
- name: Checkout
uses: actions/checkout@v2
uses: actions/checkout@v4

- name: Cache python dependencies
id: cache-pip
uses: actions/cache@v1
uses: actions/cache@v4
with:
path: ~/.cache/pip
key: pip-pre-commit-${{ hashFiles('**/setup.json') }}
restore-keys:
pip-pre-commit-

- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v2
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}

Expand Down
14 changes: 7 additions & 7 deletions .github/workflows/publish.yml
Original file line number Diff line number Diff line change
Expand Up @@ -18,10 +18,10 @@ jobs:

steps:
- uses: actions/checkout@v2
- name: Set up Python 3.8
- name: Set up Python 3.9
uses: actions/setup-python@v2
with:
python-version: '3.8'
python-version: '3.9'
- run: python .github/workflows/check_release_tag.py $GITHUB_REF setup.json

pre-commit:
Expand All @@ -41,10 +41,10 @@ jobs:
restore-keys:
pip-pre-commit-

- name: Set up Python 3.8
- name: Set up Python 3.9
uses: actions/setup-python@v2
with:
python-version: '3.8'
python-version: '3.9'

- name: Install python dependencies
run:
Expand All @@ -60,7 +60,7 @@ jobs:

strategy:
matrix:
python-version: ['3.7', '3.8', '3.9', '3.10', '3.11']
python-version: ['3.9', '3.10', '3.11', '3.12', '3.13']

steps:
- name: Checkout
Expand Down Expand Up @@ -100,10 +100,10 @@ jobs:
steps:
- name: Checkout source
uses: actions/checkout@v2
- name: Set up Python 3.8
- name: Set up Python 3.9
uses: actions/setup-python@v2
with:
python-version: '3.8'
python-version: '3.9'
- name: Build package
run: |
pip install wheel
Expand Down
24 changes: 24 additions & 0 deletions .gitignore
Original file line number Diff line number Diff line change
Expand Up @@ -50,6 +50,9 @@ coverage.xml
# Visual Studio Code
.vscode/

# idea editor
.idea

# Translations
*.mo
*.pot
Expand Down Expand Up @@ -105,3 +108,24 @@ ENV/

# vi swap files
*.swp
.DS_Store
examples/aic_4
examples/aic_6
examples/bayesian_analysis_4
examples/bayesian_analysis_6
examples/chain.h5
examples/data_rahman.zip
examples/dic_4
examples/dic_6
examples/data_manager/gpumd/compute.out
examples/data_manager/gpumd/dump.sample.xyz
examples/data_manager/gpumd/model.xyz
examples/data_manager/gpumd/run.in
examples/data_manager/gpumd/thermo.out
examples/data_manager/lammps/config.lammpsdata
examples/data_manager/lammps/dump.sample.lammpstrj
examples/data_manager/lammps/sample.lammps
examples/07_example_negative_log_likelihood copy.ipynb
examples/08_example_optimize_prior .ipynb
examples/stress_flux_hacked.npy
sportran/md/maxlike copy.py
1,215 changes: 1,215 additions & 0 deletions examples/06_example_bayesian_regression.ipynb

Large diffs are not rendered by default.

881 changes: 881 additions & 0 deletions examples/06_example_maxlike copy.ipynb

Large diffs are not rendered by default.

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