release v0.5.0

.devcontainer/Dockerfile

@@ -36,6 +36,8 @@ RUN sh -c "$(wget -nv -O- https://raw.githubusercontent.com/ohmyzsh/ohmyzsh/mast
 
 # upgrade pip and install package manager
 RUN python -m pip install --no-cache-dir --upgrade pip
+RUN pip install --no-cache-dir poetry==1.4.0
+RUN poetry config virtualenvs.create false
 
 ### TEAR DOWN IMAGE SETUP ###
 # switch back to dialog for any ad-hoc use of apt-get

.devcontainer/post-install.sh

@@ -1,8 +1,3 @@
 #! /bin/zsh
 
-pip install --no-cache-dir -r requirements.txt
-pip install --no-cache-dir -r requirements-dev.txt
-pip install --no-cache-dir -r doc/requirements.txt
-pip install ray
-pip install pylint
-pip install -e .
+poetry install --all-extras --with dev,doc

.github/CHANGELOG.md

@@ -1,3 +1,115 @@
+# Release 0.5.0
+
+### New features
+
+* Optimization callback functionalities has been improved. A dedicated `Callback` class is added which
+  is able to access the optimizer, the cost function, the parameters as well as gradients, during the
+  optimization. In addition, multiple callbacks can be specified. This opens up the endless possiblities
+  of customizing the the optimization progress with schedulers, trackers, heuristics, tricks, etc.
+  [(#219)](https://github.com/XanaduAI/MrMustard/pull/219)
+
+* Tensorboard-based optimization tracking is added as a builtin `Callback` class: `TensorboardCallback`.
+  It can automatically track costs as well as all trainable parameters during optimization in realtime.
+  Tensorboard can be most conveniently viewed from VScode.
+  [(#219)](https://github.com/XanaduAI/MrMustard/pull/219)
+
+  ```python
+  import numpy as np
+  from mrmustard.training import Optimizer, TensorboardCallback
+
+  def cost_fn():
+      ...
+
+  def as_dB(cost):
+      delta = np.sqrt(np.log(1 / (abs(cost) ** 2)) / (2 * np.pi))
+      cost_dB = -10 * np.log10(delta**2)
+      return cost_dB
+
+  tb_cb = TensorboardCallback(cost_converter=as_dB, track_grads=True)
+
+  opt = Optimizer(euclidean_lr = 0.001);
+  opt.minimize(cost_fn, max_steps=200, by_optimizing=[...], callbacks=tb_cb)
+
+  # Logs will be stored in `tb_cb.logdir` which defaults to `./tb_logdir/...` but can be customized.
+  # VScode can be used to open the Tensorboard frontend for live monitoring.
+  # Or, in command line: `tensorboard --logdir={tb_cb.logdir}` and open link in browser.
+  ```
+
+* Gaussian states support a `bargmann` method for returning the bargmann representation. 
+  [(#235)](https://github.com/XanaduAI/MrMustard/pull/235)
+
+* The `ket` method of `State` now supports new keyword arguments `max_prob` and `max_photons`.
+  Use them to speed-up the filling of a ket array up to a certain probability or *total* photon number.
+  [(#235)](https://github.com/XanaduAI/MrMustard/pull/235)
+
+  ```python
+  from mrmustard.lab import Gaussian
+
+  # Fills the ket array up to 99% probability or up to the |0,3>, |1,2>, |2,1>, |3,0> subspace, whichever is reached first.
+  # The array has the autocutoff shape, unless the cutoffs are specified explicitly.
+  ket = Gaussian(2).ket(max_prob=0.99, max_photons=3)
+  ```
+
+* Gaussian transformations support a `bargmann` method for returning the bargmann representation. 
+  [(#239)](https://github.com/XanaduAI/MrMustard/pull/239)
+
+* BSGate.U now supports method='vanilla' (default) and 'schwinger' (slower, but stable to any cutoff)
+  [(#248)](https://github.com/XanaduAI/MrMustard/pull/248)
+
+### Breaking Changes
+
+* The previous `callback` argument to `Optimizer.minimize` is now `callbacks` since we can now pass
+  multiple callbacks to it.
+  [(#219)](https://github.com/XanaduAI/MrMustard/pull/219)
+
+* The `opt_history` attribute of `Optimizer` does not have the placeholder at the beginning anymore.
+  [(#235)](https://github.com/XanaduAI/MrMustard/pull/235)
+
+### Improvements
+
+* The math module now has a submodule `lattice` for constructing recurrence relation strategies in the Fock lattice.
+  There are a few predefined strategies in `mrmustard.math.lattice.strategies`.
+  [(#235)](https://github.com/XanaduAI/MrMustard/pull/235)
+
+* Gradients in the Fock lattice are now computed using the vector-jacobian product.
+  This saves a lot of memory and speeds up the optimization process by roughly 4x.
+  [(#235)](https://github.com/XanaduAI/MrMustard/pull/235)
+
+* Tests of the compact_fock module now use hypothesis.
+  [(#235)](https://github.com/XanaduAI/MrMustard/pull/235)
+
+* Faster implementation of the fock representation of `BSgate`, `Sgate` and `SqueezedVacuum`, ranging from 5x to 50x.
+  [(#239)](https://github.com/XanaduAI/MrMustard/pull/239)
+
+* More robust implementation of cutoffs for States.
+[(#239)](https://github.com/XanaduAI/MrMustard/pull/239)
+
+* Dependencies and versioning are now managed using Poetry.
+[(#257)](https://github.com/XanaduAI/MrMustard/pull/257)
+
+### Bug fixes
+
+* Fixed a bug that would make two progress bars appear during an optimization
+  [(#235)](https://github.com/XanaduAI/MrMustard/pull/235)
+
+* The displacement of the dual of an operation had the wrong sign
+  [(#239)](https://github.com/XanaduAI/MrMustard/pull/239)
+
+* When projecting a Gaussian state onto a Fock state, the upper limit of the autocutoff now respect the Fock projection.
+  [(#246)](https://github.com/XanaduAI/MrMustard/pull/246)
+
+* Fixed a bug for the algorithms that allow faster PNR sampling from Gaussian circuits using density matrices. When the 
+cutoff of the first detector is equal to 1, the resulting density matrix is now correct.
+
+### Documentation
+
+### Contributors
+[Filippo Miatto](https://github.com/ziofil), [Zeyue Niu](https://github.com/zeyueN), 
+[Robbe De Prins](https://github.com/rdprins), [Gabriele Gullì](https://github.com/ggulli),
+[Richard A. Wolf](https://github.com/ryk-wolf)
+
+---
+
 # Release 0.4.1
 
 ### New features
@@ -23,8 +135,9 @@
 ### Contributors
 [Filippo Miatto](https://github.com/ziofil), [Sebastian Duque Mesa](https://github.com/sduquemesa)
 
+---
 
-# Release 0.4.0
+# Release 0.4.0 (current release)
 
 ### New features
 

.github/workflows/builds.yml

@@ -1,4 +1,4 @@
-name: builds
+name: Build package
 on:
   push:
     branches:
@@ -12,37 +12,37 @@ jobs:
     runs-on: ubuntu-latest
     env:
       HYPOTHESIS_PROFILE: ci
-
     strategy:
       fail-fast: false
       matrix:
         python-version: ['3.9', '3.10']
+    concurrency:
+      group: ${{ github.workflow }}-${{ github.ref }}-${{ matrix.python-version }}
+      cancel-in-progress: true
 
     steps:
-      - name: Cancel Previous Runs
-        uses: styfle/[email protected]
-        with:
-          access_token: ${{ github.token }}
-
-      - uses: actions/checkout@v3
+      - name: Checkout repo
+        uses: actions/checkout@v3
 
-      - name: Set up Python
+      - name: Set up Python ${{ matrix.python-version }}
         uses: actions/setup-python@v4
         with:
           python-version: ${{ matrix.python-version }}
 
       - name: Build and install Mr Mustard
         run: |
-          python -m pip install --upgrade pip wheel
-          python setup.py bdist_wheel
+          python -m pip install --no-cache-dir --upgrade pip
+          pip install --no-cache-dir poetry==1.4.0
+          poetry config virtualenvs.create false
+          poetry build
           pip install dist/mrmustard*.whl
+          # Move to 'src' to properly test only installed package
+          # https://docs.pytest.org/en/7.1.x/explanation/goodpractices.html#tests-outside-application-code
+          mkdir src
+          mv mrmustard src
 
-      - name: Install test dependencies
-        run: |
-          pip install -r requirements.txt
-          pip install -r requirements-dev.txt
-          pip install wheel pytest pytest-cov pytest-mock hypothesis --upgrade
+      - name: Install only test dependencies
+        run: poetry install --no-root --extras "ray" --with dev
 
       - name: Run tests
-        run: |
-          python -m pytest tests -p no:warnings --tb=native
+        run: python -m pytest tests -p no:warnings --tb=native

.github/workflows/tests.yml

@@ -4,35 +4,38 @@ on:
     branches:
       - develop
   pull_request:
+    paths:
+      - '.github/workflows/tests.yml'
+      - 'mrmustard/**'
+      - 'tests/**'
+      - 'pyproject.toml'
+      - 'poetry.lock'
+      - 'pytest.ini'
 
 jobs:
   pytest:
     runs-on: ubuntu-latest
+    concurrency:
+      group: ${{ github.workflow }}-${{ github.ref }}
+      cancel-in-progress: true
     env:
       HYPOTHESIS_PROFILE: ci
 
     steps:
-      - name: Cancel Previous Runs
-        uses: styfle/[email protected]
-        with:
-          access_token: ${{ github.token }}
-
-      - uses: actions/checkout@v3
+      - name: Checkout repo
+        uses: actions/checkout@v3
 
-      - name: Setup python ${{ matrix.python-version }}
+      - name: Setup python
         uses: actions/setup-python@v4
         with:
           python-version: '3.9'
 
       - name: Install dependencies
         run: |
-          python -m pip install --upgrade pip
-          pip install -r requirements.txt
-          pip install -r requirements-dev.txt
-          pip install wheel pytest pytest-cov --upgrade
-          pip install .[ray]
-          # python setup.py bdist_wheel
-          # pip install dist/*.whl
+          python -m pip install --no-cache-dir --upgrade pip
+          pip install --no-cache-dir poetry==1.4.0
+          poetry config virtualenvs.create false
+          poetry install --extras "ray" --with dev
 
       - name: Run tests
         run: python -m pytest tests --cov=mrmustard --cov-report=term-missing --cov-report=xml -p no:warnings --tb=native

.github/workflows/upload.yml

@@ -10,7 +10,8 @@ jobs:
       HYPOTHESIS_PROFILE: ci
 
     steps:
-      - uses: actions/checkout@v3
+      - name: Checkout repo
+        uses: actions/checkout@v3
 
       - name: Set up Python
         uses: actions/setup-python@v4
@@ -19,21 +20,24 @@ jobs:
 
       - name: Build and install Mr Mustard
         run: |
-          python -m pip install --upgrade pip wheel
-          python setup.py bdist_wheel
+          python -m pip install --no-cache-dir --upgrade pip
+          pip install --no-cache-dir poetry==1.4.0
+          poetry config virtualenvs.create false
+          poetry build
           pip install dist/mrmustard*.whl
+          # Move to 'src' to properly test only installed package
+          # https://docs.pytest.org/en/7.1.x/explanation/goodpractices.html#tests-outside-application-code
+          mkdir src
+          mv mrmustard src
 
-      - name: Install test dependencies
-        run: |
-          pip install -r requirements.txt
-          pip install wheel pytest pytest-cov pytest-mock hypothesis --upgrade
+      - name: Install only test dependencies
+        run: poetry install --no-root --extras "ray" --with dev
 
       - name: Run tests
-        run: |
-          python -m pytest tests -p no:warnings --tb=native
+        run: python -m pytest tests -p no:warnings --tb=native
 
       - name: Publish
-        uses: pypa/gh-action-pypi-publish@master
+        uses: pypa/gh-action-pypi-publish@release/v1
         with:
           user: __token__
           password: ${{ secrets.PIPY_TOKEN }}

.readthedocs.yml

@@ -6,6 +6,11 @@ build:
   os: ubuntu-22.04
   tools:
     python: "3.9"
+  jobs:
+    post_install:
+      - pip install --no-cache-dir poetry==1.4.0
+      - poetry config virtualenvs.create false
+      - poetry install --with doc
 
 # Build documentation in the docs/ directory with Sphinx
 sphinx:
@@ -16,9 +21,5 @@ sphinx:
 #    - pdf
 
 # Optionally declare the Python requirements required to build your docs
-python:
-   install:
-   - requirements: doc/requirements.txt
-   - method: pip
-     path: .
-   system_packages: true
+# python:
+#    install: