Commits · master · Vicentini Filippo / netket

Jul 23, 2023
- Improvements (#1534) · e1ed476d
  Filippo Vicentini authored 1 year ago
  
  e1ed476d
Jul 20, 2023

Move constrained logic to a special ConstrainedHilbertIndex class that can... · 6c10a27c

Move constrained logic to a special ConstrainedHilbertIndex class that can more easily be overridden (#1528)

> I believe there were a few requests for improvements of the hilbert
spaces, but none of them would really benefit from jax afaik. In
particular:
>
> - make restricted fock indexable in more cases (e.g. fixed particle
number is small but we have a lot of sites). Implemented it
[here](https://github.com/inailuig/chemistry_nqs_second/blob/5c04364aa456071a2a07a9f57ef7fd91709aa377/constrained_fock.py)
some time ago and can try to clean it up for a PR at some point. Only
really useful for ED and exactState (will benefit [@Jannes
Nys](https://cqslab.slack.com/team/U02FE43BC9G) and [@Fan
Yang](https://cqslab.slack.com/team/U040MJYMZ3L))
>
> - restricted fock random_state going OOM if the local cuttoff is big
and the local fock space is therefore not really indexable (according to
[@Zakari Denis](https://cqslab.slack.com/team/U043EP0T1DM))
>
> - I would change the default dtype of the discrete hilbert spaces to
something more reasonable like int8/uint8 instead of double. I think
it's cleaner to set it in hilbert already instead of later casting in
the samplers. Also types are currently not consistent so you might get
sth different from all_states and random_state

This is a draft to make it easy to implement point 2, essentially we
could add some _special_ HilbertIndexConstrained for what z-denis
wanted, I think.
You could take this as a starting point.

We can probably further clean the interface, but I did not think much
about it.

Then inailuig step 1 could be achieved by jaxifying those classes.

6c10a27c

Bump ruff from 0.0.277 to 0.0.278 (#1529) · 8dbd9e33

dependabot[bot] authored 1 year ago

Bumps [ruff](https://github.com/astral-sh/ruff) from 0.0.277 to 0.0.278.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/astral-sh/ruff/releases">ruff's
releases</a>.</em></p>
<blockquote>
<h2>v0.0.278</h2>
<!-- raw HTML omitted -->
<p>See the <a href="https://astral.sh/blog/ruff-v0.0.278">release blog
post</a> for more, including detailed descriptions of any newly added
rules.</p>
<h2>What's Changed</h2>
<h3>Rules</h3>
<ul>
<li>[<code>pylint</code>] Implement <code>typevar-bivariance</code>
(<code>PLC0131</code>) by <a
href="https://github.com/tjkuson"><code>@tjkuson</code></a> in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5517">astral-sh/ruff#5517</a></li>
<li>[<code>flake8-pyi</code>] Implement
<code>unnecessary-literal-union</code> (<code>PYI030</code>) by <a
href="https://github.com/zanieb"><code>@zanieb</code></a> in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5570">astral-sh/ruff#5570</a></li>
<li>[<code>pylint</code>] Implement
<code>type-name-incorrect-variance</code> (<code>PLC0105</code>) by <a
href="https://github.com/tjkuson"><code>@tjkuson</code></a> in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5651">astral-sh/ruff#5651</a></li>
<li>[<code>ruff</code>] Implement
<code>unnecessary-list-allocation-for-first-element</code>
(<code>RUF015</code>) by <a
href="https://github.com/evanrittenhouse"><code>@evanrittenhouse</code></a>
in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5549">astral-sh/ruff#5549</a></li>
<li>[<code>flake8-bugbear</code>] Implement
<code>re-sub-positional-args</code> (<code>B034</code>) by <a
href="https://github.com/charliermarsh"><code>@charliermarsh</code></a>
in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5669">astral-sh/ruff#5669</a></li>
<li>[<code>ruff</code>] Implement <code>invalid-index-type</code>
(<code>RUF016</code>) by <a
href="https://github.com/zanieb"><code>@zanieb</code></a> in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5602">astral-sh/ruff#5602</a></li>
</ul>
<h3>Settings</h3>
<ul>
<li>[<code>isort</code>] Add <code>--case-sensitive</code> flag by <a
href="https://github.com/qdegraaf"><code>@qdegraaf</code></a> in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5539">astral-sh/ruff#5539</a></li>
<li>[<code>isort</code>] Support globbing in <code>isort</code> options
by <a href="https://github.com/tjkuson"><code>@tjkuson</code></a> in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5473">astral-sh/ruff#5473</a></li>
</ul>
<h3>Bug Fixes</h3>
<ul>
<li>Support autofix for some multiline <code>str.format</code> calls by
<a href="https://github.com/harupy"><code>@harupy</code></a> in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5638">astral-sh/ruff#5638</a></li>
<li>Avoid triggering <code>unnecessary-map</code> (<code>C417</code>)
for late-bound lambdas by <a
href="https://github.com/charliermarsh"><code>@charliermarsh</code></a>
in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5520">astral-sh/ruff#5520</a></li>
<li>Avoid triggering DTZ001-006 when using <code>.astimezone()</code> by
<a href="https://github.com/dhruvmanila"><code>@dhruvmanila</code></a>
in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5524">astral-sh/ruff#5524</a></li>
<li>Enable attribute lookups via semantic model by <a
href="https://github.com/charliermarsh"><code>@charliermarsh</code></a>
in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5536">astral-sh/ruff#5536</a></li>
<li>Avoid syntax errors when rewriting str(dict) in f-strings by <a
href="https://github.com/charliermarsh"><code>@charliermarsh</code></a>
in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5538">astral-sh/ruff#5538</a></li>
<li>Differentiate between runtime and typing-time annotations by <a
href="https://github.com/charliermarsh"><code>@charliermarsh</code></a>
in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5575">astral-sh/ruff#5575</a></li>
<li>Only run pyproject.toml lint rules when enabled by <a
href="https://github.com/charliermarsh"><code>@charliermarsh</code></a>
in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5578">astral-sh/ruff#5578</a></li>
<li>Refactor isort directive skips to use iterators by <a
href="https://github.com/charliermarsh"><code>@charliermarsh</code></a>
in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5623">astral-sh/ruff#5623</a></li>
<li>Allow descriptor instantiations in dataclass fields by <a
href="https://github.com/charliermarsh"><code>@charliermarsh</code></a>
in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5537">astral-sh/ruff#5537</a></li>
<li>Refactor <code>noqa</code> directive parsing away from regex-based
implementation by <a
href="https://github.com/charliermarsh"><code>@charliermarsh</code></a>
in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5554">astral-sh/ruff#5554</a></li>
<li>Emit warnings for invalid <code># noqa</code> directives by <a
href="https://github.com/charliermarsh"><code>@charliermarsh</code></a>
in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5571">astral-sh/ruff#5571</a></li>
<li>Support individual codes on <code># flake8: noqa</code> directives
by <a
href="https://github.com/charliermarsh"><code>@charliermarsh</code></a>
in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5618">astral-sh/ruff#5618</a></li>
<li>Add <code>tkinter</code> import convention by <a
href="https://github.com/tjkuson"><code>@tjkuson</code></a> in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5626">astral-sh/ruff#5626</a></li>
<li>Avoid <code>PERF401</code> if conditional depends on list var by <a
href="https://github.com/dhruvmanila"><code>@dhruvmanila</code></a> in
<a
href="https://redirect.github.com/astral-sh/ruff/pull/5603">astral-sh/ruff#5603</a></li>
<li>Fix typo in complex-if-statement-in-stub message by <a
href="https://github.com/charliermarsh"><code>@charliermarsh</code></a>
in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5635">astral-sh/ruff#5635</a></li>
<li>Make TRY301 trigger only if a <code>raise</code> throws a caught
exception by <a
href="https://github.com/evanrittenhouse"><code>@evanrittenhouse</code></a>
in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5455">astral-sh/ruff#5455</a></li>
<li>Skip flake8-future-annotations checks in stub files by <a
href="https://github.com/charliermarsh"><code>@charliermarsh</code></a>
in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5652">astral-sh/ruff#5652</a></li>
<li>Always allow PEP 585 and PEP 604 rewrites in stub files by <a
href="https://github.com/charliermarsh"><code>@charliermarsh</code></a>
in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5653">astral-sh/ruff#5653</a></li>
<li>Add support for <code>Union</code> declarations without
<code>|</code> to PYI016 by <a
href="https://github.com/zanieb"><code>@zanieb</code></a> in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5598">astral-sh/ruff#5598</a></li>
<li>Ignore <code>_name_</code> and <code>_value_</code> accesses in
<code>flake8-self</code> rules by <a
href="https://github.com/monosans"><code>@monosans</code></a> in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5663">astral-sh/ruff#5663</a></li>
<li>Refactor <code>repeated_keys()</code> to use
<code>ComparableExpr</code> by <a
href="https://github.com/qdegraaf"><code>@qdegraaf</code></a> in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5696">astral-sh/ruff#5696</a></li>
</ul>
<h2>New Contributors</h2>
<ul>
<li><a href="https://github.com/karosis88"><code>@karosis88</code></a>
made their first contribution in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5560">astral-sh/ruff#5560</a></li>
<li><a
href="https://github.com/petermattia"><code>@petermattia</code></a>
made their first contribution in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5579">astral-sh/ruff#5579</a></li>
<li><a
href="https://github.com/DimitriPapadopoulos"><code>@DimitriPapadopoulos</code></a>
made their first contribution in <a
href="https://redirect.github.com/astral-sh/ruff/pull/5607">astral-sh/ruff#5607</a></li>
</ul>
<p><strong>Full Changelog</strong>: <a
href="https://github.com/astral-sh/ruff/compare/v0.0.277...v0.0.278">https://github.com/astral-sh/ruff/compare/v0.0.277...v0.0.278</a></p>
</blockquote>
</details>
<details>
<summary>Changelog</summary>
<p><em>Sourced from <a
href="https://github.com/astral-sh/ruff/blob/main/BREAKING_CHANGES.md">ruff's
changelog</a>.</em></p>
<blockquote>
<h1>Breaking Changes</h1>
</blockquote>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/astral-sh/ruff/commit/0ead9a16ac306bd17ab5951c0e4240c1ed71a208"><code>0ead9a1</code></a>
Bump version to 0.0.278 (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5714">#5714</a>)</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/653429bef9d212f0d4dc22ca8f7d9eae1d432f81"><code>653429b</code></a>
Handle right parens in join comma builder (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5711">#5711</a>)</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/f0aa6bd4d36d3b8793bea405541e91d525c0e9fb"><code>f0aa6bd</code></a>
Document ruff_dev and format_dev (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5648">#5648</a>)</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/5665968b4249784734fda04fdd2a8e9272b8cee9"><code>5665968</code></a>
Bump static Python versions in CI from 3.7 to 3.11 (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5700">#5700</a>)</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/33a91773f7a8c60c2f1cdb84127feabad8c6d84f"><code>33a9177</code></a>
Use permalinks in ecosystem diff references (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5704">#5704</a>)</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/0666added9902990b6ea22d1a48f6fa1ae5ea605"><code>0666add</code></a>
Add RUF016: Detection of invalid index types (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5602">#5602</a>)</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/7566ca8ff7caa28ea44f1053fd1f2963fafcefcb"><code>7566ca8</code></a>
Refactor <code>repeated_keys()</code> to use <code>ComparableExpr</code>
(<a
href="https://redirect.github.com/astral-sh/ruff/issues/5696">#5696</a>)</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/5dd9e567481fb4d83214be4998833f8b11945727"><code>5dd9e56</code></a>
Misc. tweaks to bandit documentation (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5701">#5701</a>)</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/f8173daf4ce5bdf8811daf57911f371a0f992af9"><code>f8173da</code></a>
Add documentation to the <code>S3XX</code> rules (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5592">#5592</a>)</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/511ec0d7bca34a08c286abf34a7de14e6f3c56eb"><code>511ec0d</code></a>
Refactor shebang parsing to remove regex dependency (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5690">#5690</a>)</li>
<li>Additional commits viewable in <a
href="https://github.com/astral-sh/ruff/compare/v0.0.277...v0.0.278">compare
view</a></li>
</ul>
</details>
<br />


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8dbd9e33

Jul 18, 2023

Test both PauliStringsJax modes and set the default to index (#1531) · 44cf1f8c

Clemens Giuliani authored 1 year ago

In https://github.com/netket/netket/pull/1510 I had written two implementations of the operator (mask and index)
This switches the default to indexing, which seems faster for short strings and  tests both.

44cf1f8c

Jul 12, 2023

Add `pinv` solver, based on jax.numpy.linalg.pinv (#1525) · 1f80e7d5

Filippo Vicentini authored 1 year ago

For completeness, this is based on `pinv`. 
The docstring suggests that `pinv_smooth` performs better in general.

1f80e7d5

Update flax requirement from <0.7,>=0.6.5 to >=0.6.5,<0.8 (#1527) · 6d10c148

dependabot[bot] authored 1 year ago

Updates the requirements on [flax](https://github.com/google/flax) to
permit the latest version.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/google/flax/releases">flax's
releases</a>.</em></p>
<blockquote>
<h2>Version 0.7.0</h2>
<h2>What's Changed</h2>
<ul>
<li>delete long-unused dotgetter utility by <a
href="https://github.com/copybara-service"><code>@copybara-service</code></a>
in <a
href="https://redirect.github.com/google/flax/pull/3156">google/flax#3156</a></li>
<li>Add sections to flax.linen toctree by <a
href="https://github.com/cgarciae"><code>@cgarciae</code></a> in <a
href="https://redirect.github.com/google/flax/pull/3073">google/flax#3073</a></li>
<li>update doctest requirements to use recentish jax minver by <a
href="https://github.com/levskaya"><code>@levskaya</code></a> in <a
href="https://redirect.github.com/google/flax/pull/3160">google/flax#3160</a></li>
<li>Update gym to gymnasium by <a
href="https://github.com/cgarciae"><code>@cgarciae</code></a> in <a
href="https://redirect.github.com/google/flax/pull/3133">google/flax#3133</a></li>
<li>Add lifted transforms section to Haiku migration guide by <a
href="https://github.com/cgarciae"><code>@cgarciae</code></a> in <a
href="https://redirect.github.com/google/flax/pull/3158">google/flax#3158</a></li>
<li>relaxed tolerance by <a
href="https://github.com/chiamp"><code>@chiamp</code></a> in <a
href="https://redirect.github.com/google/flax/pull/3162">google/flax#3162</a></li>
<li>fixed broken links by <a
href="https://github.com/chiamp"><code>@chiamp</code></a> in <a
href="https://redirect.github.com/google/flax/pull/3161">google/flax#3161</a></li>
<li>added dict migration guide by <a
href="https://github.com/chiamp"><code>@chiamp</code></a> in <a
href="https://redirect.github.com/google/flax/pull/3109">google/flax#3109</a></li>
<li>Update requirements, restructure files and fix formatting for VAE
example by <a
href="https://github.com/canyon289"><code>@canyon289</code></a> in <a
href="https://redirect.github.com/google/flax/pull/3046">google/flax#3046</a></li>
<li>Update python version support by <a
href="https://github.com/cgarciae"><code>@cgarciae</code></a> in <a
href="https://redirect.github.com/google/flax/pull/3168">google/flax#3168</a></li>
<li>Improve Haiku migration guide by <a
href="https://github.com/cgarciae"><code>@cgarciae</code></a> in <a
href="https://redirect.github.com/google/flax/pull/3169">google/flax#3169</a></li>
<li>Set default types in Flax for Orbax restoration and add
<code>restore_with_serialized_types</code> in preparation for an
upcoming change. by <a
href="https://github.com/copybara-service"><code>@copybara-service</code></a>
in <a
href="https://redirect.github.com/google/flax/pull/3165">google/flax#3165</a></li>
<li>fix precommit issues by <a
href="https://github.com/chiamp"><code>@chiamp</code></a> in <a
href="https://redirect.github.com/google/flax/pull/3170">google/flax#3170</a></li>
<li>fixed incorrect reference link by <a
href="https://github.com/chiamp"><code>@chiamp</code></a> in <a
href="https://redirect.github.com/google/flax/pull/3167">google/flax#3167</a></li>
<li>added absltest to linen_recurrent_test by <a
href="https://github.com/chiamp"><code>@chiamp</code></a> in <a
href="https://redirect.github.com/google/flax/pull/3172">google/flax#3172</a></li>
<li>remove cell_size docs from RNN by <a
href="https://github.com/cgarciae"><code>@cgarciae</code></a> in <a
href="https://redirect.github.com/google/flax/pull/3186">google/flax#3186</a></li>
<li>0.7.0 by <a
href="https://github.com/cgarciae"><code>@cgarciae</code></a> in <a
href="https://redirect.github.com/google/flax/pull/3187">google/flax#3187</a></li>
</ul>
<p><strong>Full Changelog</strong>: <a
href="https://github.com/google/flax/compare/v0.6.11...v0.7.0">https://github.com/google/flax/compare/v0.6.11...v0.7.0</a></p>
</blockquote>
</details>
<details>
<summary>Changelog</summary>
<p><em>Sourced from <a
href="https://github.com/google/flax/blob/main/CHANGELOG.md">flax's
changelog</a>.</em></p>
<blockquote>
<h2>0.7.0</h2>
<ul>
<li>RNNCellBase refactor.</li>
</ul>
<h2>0.6.11</h2>
<ul>
<li>Set Orbax-as-backend to be the default checkpointing method.</li>
<li>Fix setup trigger issue under sharing and transforms.</li>
<li>Add collection to self.scope.reserve(name, col) so that sow works
with the same name in different collections.</li>
<li>Minor improvements for Sequential.</li>
<li>Improve the error message in MultiHeadDotProductAttention.</li>
<li>Allow manually specifying the rng key for Dropout.</li>
<li>RNN refactor.</li>
<li>fixed missing separator for rng fold in.</li>
</ul>
<h2>0.6.10</h2>
<ul>
<li>Rudimentary quantization support: some layers can be parametrized
with custom dot_general and conv_general_dilated.</li>
</ul>
<h2>0.6.9</h2>
<ul>
<li>Depend on <code>orbax-checkpoint</code> package instead of
<code>orbax</code>.</li>
<li>Refactored setup scripts to <code>project.toml</code>.</li>
<li>Added pretty_repr utility fn.</li>
<li>Fix get_partition_spec on replicated array.</li>
<li>Updates imagenet.ipynb to use GPU Colab runtime, and fixed
config.</li>
<li>Upgrade checkpointing code to <code>jax.sharding</code>, and with
more warnings.</li>
</ul>
<h2>0.6.8</h2>
<ul>
<li>The automatic checkpoint migration was temporarily rolled back due
to legacy compatibility issues.
<ul>
<li>We still recommend you to use the <a
href="https://flax.readthedocs.io/en/latest/guides/orbax_upgrade_guide.html">upgrade
guide</a> and migrate completely to the Orbax API to ensure
stability.</li>
<li>Or alternatively, add
<code>flax.config.update('flax_use_orbax_checkpointing', True)</code> to
your project to avoid being impacted by the automatic migration
process.</li>
</ul>
</li>
<li>Added utility functions to frozen_dict api.</li>
<li>Migrated Flax away from <code>register_keypaths</code>.</li>
<li>Fixes kwargs in convert_to_graphs_tuple_fn.</li>
<li>Fixed examples in a few ways:
<ul>
<li>Bumped the TF version</li>
<li>Used latest checkpoint formats</li>
<li>Other misc fixes.</li>
</ul>
</li>
</ul>
<h2>0.6.7</h2>
<ul>
<li>New checkpoints will be saved using Orbax! Please check out <a
href="https://flax.readthedocs.io/en/latest/guides/orbax_upgrade_guide.html">upgrade
guide</a> and consider migrating completely to the Orbax API.
<ul>
<li>You could <code>flax.config.update('flax_use_orbax_checkpointing',
False)</code> to temporarily disable this migration, but note that Flax
legacy checkpointing will be removed 3 months from Mar 10, 2023.</li>
</ul>
</li>
<li>Migrating <code>FrozenDict</code> to regular dict: utility functions
now work on both.</li>
<li>Migrated Flax dataclass and <code>FrozenDict</code> to JAX pytree
keypath API.</li>
<li>Fixed pytype and improved typing for <code>Module</code></li>
<li>Fixed up uses of PyTree and PyTreeDef types.</li>
</ul>
<!-- raw HTML omitted -->
</blockquote>
<p>... (truncated)</p>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/google/flax/commit/7e9d7087dd4684efcbff723d8e50b667b3f557bf"><code>7e9d708</code></a>
Merge pull request <a
href="https://redirect.github.com/google/flax/issues/3187">#3187</a>
from google:0.7.0</li>
<li><a
href="https://github.com/google/flax/commit/eb1c5ee2112d174a796bba27ab17088796312e70"><code>eb1c5ee</code></a>
Merge pull request <a
href="https://redirect.github.com/google/flax/issues/3186">#3186</a>
from google:fix-rnn-docs</li>
<li><a
href="https://github.com/google/flax/commit/d405953df4fb46deea0b8bb72285243195a1764b"><code>d405953</code></a>
fix changelog</li>
<li><a
href="https://github.com/google/flax/commit/047e4e82de46f08baa14894be69b61280ee1a3ac"><code>047e4e8</code></a>
0.7.0</li>
<li><a
href="https://github.com/google/flax/commit/aac2f050895f2dde5d96109f106e5af6c425a3ff"><code>aac2f05</code></a>
remove cell_size docs from RNN</li>
<li><a
href="https://github.com/google/flax/commit/0734d0060b6ed9095ccff07300835f59d7376057"><code>0734d00</code></a>
[linen] Only <code>pmean</code> the mean if it is non-zero, in
normalization modules.</li>
<li><a
href="https://github.com/google/flax/commit/1e7a8b1559bf6181829149b1218e980c48eb8791"><code>1e7a8b1</code></a>
[linen] Minor cleanup to normalization code.</li>
<li><a
href="https://github.com/google/flax/commit/1942f3b7f3d9a70984e7fe63b91b407515a1f830"><code>1942f3b</code></a>
Add RMSNorm to documentation</li>
<li><a
href="https://github.com/google/flax/commit/8efa9975700a10a63fd2dbe8c0ec5e4fa7294541"><code>8efa997</code></a>
Add propagation of param_dtype to carry initializer.</li>
<li><a
href="https://github.com/google/flax/commit/b05c673880fbb5e4fc107ecac4ef2921f3e80e2a"><code>b05c673</code></a>
Merge pull request <a
href="https://redirect.github.com/google/flax/issues/3172">#3172</a>
from chiamp:add_absl</li>
<li>Additional commits viewable in <a
href="https://github.com/google/flax/compare/v0.6.5...v0.7.0

">compare
view</a></li>
</ul>
</details>
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6d10c148

Jul 09, 2023

fixes · 38a0da4d
Filippo Vicentini authored 1 year ago

38a0da4d
Correctly cache holomorphic in QGTOnTheFly · 785c3502
Filippo Vicentini authored 1 year ago

785c3502

Throw error when calling `QGTOnTheFly.to_dense()` for non holomorphic ansatze (#1522) · 65ccc59f

Filippo Vicentini authored 1 year ago

Apparently more than one year ago we had realised that
`QGTOnTheFly.to_dense` returns numerically wrong results when the ansatz
is non holomorphic and the parameters are complex (no problem for real
parameters).

However, we had never implemented an error check, so sometimes it
happened to me to try to run dynamics with `QGTOnTheFly` and non
holomorphic, complex parameters ansatzes.

I want to put an end to this, so here this is.

65ccc59f

Change default solver for the dynamics from `solver.solve` to `solver.pinv_smooth` (#1526) · fc8dabbb
Filippo Vicentini authored 1 year ago
```
As discussed with @gcarleo , it seems that this solver is more stable.
```
fc8dabbb

Jul 06, 2023

Rename tolerance arguments of TDVPSchmitt to something more sensible (#1523) · 8f8b0a2e

Filippo Vicentini authored 1 year ago

The tolerance arguments of
{class}`~netket.experimental.dynamics.TDVPSchmitt` have all been renamed
to more understandable quantities without inspecting the source code.

In particular,  
- `num_tol` has been renamed to `rcond`, because it does the same thing
as `rcond` does in `svd`.
- `svd_tol` to `rcond_smooth` , to be consistent with the same argument
that has been introduced in `solvers.pinv_smooth` from #1518
- `noise_tol` to `noise_atol`, because it's an absolute tolerance, and
in principle we could think to add a relative tolerance as well...

This is a breaking change but this stuff is experimental.

8f8b0a2e

Jul 05, 2023

Bump ruff from 0.0.276 to 0.0.277 (#1521) · 9e353847

dependabot[bot] authored 1 year ago

Bumps [ruff](https://github.com/astral-sh/ruff) from 0.0.276 to 0.0.277.
<details>
<summary>Changelog</summary>
<p><em>Sourced from <a
href="https://github.com/astral-sh/ruff/blob/main/BREAKING_CHANGES.md">ruff's
changelog</a>.</em></p>
<blockquote>
<h2>0.0.277</h2>
<h3><code>.ipynb_checkpoints</code>, <code>.pyenv</code>,
<code>.pytest_cache</code>, and <code>.vscode</code> are now excluded by
default (<a
href="https://redirect.github.com/astral-sh/ruff/pull/5513">#5513</a>)</h3>
<p>Ruff maintains a list of default exclusions, which now consists of
the following patterns:</p>
<ul>
<li><code>.bzr</code></li>
<li><code>.direnv</code></li>
<li><code>.eggs</code></li>
<li><code>.git</code></li>
<li><code>.git-rewrite</code></li>
<li><code>.hg</code></li>
<li><code>.ipynb_checkpoints</code></li>
<li><code>.mypy_cache</code></li>
<li><code>.nox</code></li>
<li><code>.pants.d</code></li>
<li><code>.pyenv</code></li>
<li><code>.pytest_cache</code></li>
<li><code>.pytype</code></li>
<li><code>.ruff_cache</code></li>
<li><code>.svn</code></li>
<li><code>.tox</code></li>
<li><code>.venv</code></li>
<li><code>.vscode</code></li>
<li><code>__pypackages__</code></li>
<li><code>_build</code></li>
<li><code>buck-out</code></li>
<li><code>build</code></li>
<li><code>dist</code></li>
<li><code>node_modules</code></li>
<li><code>venv</code></li>
</ul>
<p>Previously, the <code>.ipynb_checkpoints</code>, <code>.pyenv</code>,
<code>.pytest_cache</code>, and <code>.vscode</code> directories were
not
excluded by default. This change brings Ruff's default exclusions in
line with other tools like
Black.</p>
</blockquote>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/astral-sh/ruff/commit/324455f580813a7c7721dc1d7ef1ee7721ae3e76"><code>324455f</code></a>
Bump version to 0.0.277 (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5515">#5515</a>)</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/da1c320bfa0fdae38c0c51c8fe91781fcdcd8728"><code>da1c320</code></a>
Add .ipynb_checkpoints, .pyenv, .pytest_cache, and .vscode to default
exclude...</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/485d997d359b3fdbaef992e634557fd953a24f75"><code>485d997</code></a>
Tweak prefix match to use .all_rules() (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5512">#5512</a>)</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/d7214e77e69c731e74f4e7cfe8d063aab9f8ebf8"><code>d7214e7</code></a>
Add <code>ruff rule --all</code> subcommand (with JSON output) (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5059">#5059</a>)</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/952c62310238d8bd7bb9cb42099d7ea785c0baef"><code>952c623</code></a>
Avoid returning first-match for rule prefixes (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5511">#5511</a>)</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/0a2620164350d8bd88d0ec1d1558c52fd8df4889"><code>0a26201</code></a>
Merge clippy and clippy (wasm) jobs on CI (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5447">#5447</a>)</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/0e67757edbbf28c3a49dcc92c5844c1f432d1b51"><code>0e67757</code></a>
[<code>pylint</code>] Implement Pylint
<code>typevar-name-mismatch</code> (<code>C0132</code>) (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5501">#5501</a>)</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/c395e44bd761b34cab03e4d811af332ee0a2d49a"><code>c395e44</code></a>
Avoid PERF rules for iteration-dependent assignments (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5508">#5508</a>)</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/75da72bd7fe786523f94064a2639096b61cb370f"><code>75da72b</code></a>
Update documentation to list double-quote preference first (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5507">#5507</a>)</li>
<li><a
href="https://github.com/astral-sh/ruff/commit/521e6de2c8833f0229f3d51ee71fd70abd5805b8"><code>521e6de</code></a>
Fix eval detection for suspicious-eval-usage (<a
href="https://redirect.github.com/astral-sh/ruff/issues/5506">#5506</a>)</li>
<li>Additional commits viewable in <a
href="https://github.com/astral-sh/ruff/compare/v0.0.276...v0.0.277">compare
view</a></li>
</ul>
</details>
<br />


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Co-authored-by: Filippo Vicentini <filippovicentini@gmail.com>

9e353847

Jul 04, 2023

Fix lanczos_ed for DiscreteJaxOperator (#1519) · 4fddb15d
Clemens Giuliani authored 1 year ago
```
Sparse jax arrays are unfortunately not scipy-compatible, so lanczos_ed
didn't work.
```
4fddb15d

Add new QGT inversion solver based on regularised high (more stable than solve) (#1518) · 1ec59ab8

Filippo Vicentini authored 1 year ago

Add a new solver that constructs the (pseudo)-inverse by hand starting from the diagonalisation of S obtained from `jnp.linalg.eigh`, and potentially applies a soft smoothing to the eigenvalues.

1ec59ab8

Add a hamiltonian rule for the jax operators (#1514) · 2ce171b6

Clemens Giuliani authored 1 year ago

This is what is left of https://github.com/netket/netket/pull/968

 rebased on master.
---------

Co-authored-by: Filippo Vicentini <filippovicentini@gmail.com>

2ce171b6

Jul 03, 2023

Replace flake8 with ruff · b9638b74

Filippo Vicentini authored 1 year ago

Ruff is much more modern and faster. Mainly, it does not slow down our pre-commit hooks that right now take ages due to flake8.

Particularly handy is that with ruff we can run `ruff check --fix netket` to fix most issues he identifies, speeding up development.

Moreover, it's settings are all stored in pyproject.toml so we can remove another file.

b9638b74

Attempt to fix broken CI (maybe old jax bug?) (#1517) · 81a04592
Filippo Vicentini authored 1 year ago

81a04592

Jul 02, 2023

fix import order · e56fb203
Filippo Vicentini authored 1 year ago

e56fb203

[Take 2] Implement Jax-compatible PauliString (#1510) · 3e717ade

Filippo Vicentini authored 1 year ago


This is also a remanding of the original PR by @wdphy16 , following the
new infrastructure for Jax-compatible operators.

resuscitates #968

@wdphy16 as you are the original author of the code, could you please go
back through it and comment it throughout? It's very complicated and
it's very hard to follow what the generation of masks do...

---------

authored-by: Clemens Giuliani <clemens@inailuig.it>

3e717ade

move LocalOperator files to subfolder · 1583a760
Filippo Vicentini authored 1 year ago

1583a760
Make Callback objects serialisable (needed for checkpointing..) (#1516) · 31730d4d
Filippo Vicentini authored 1 year ago
```
Makes them fully data class compliant by moving some cache definition
into the class declaration.
```
31730d4d
fix breakages in tests · e0da0db6
Filippo Vicentini authored 1 year ago

e0da0db6

Jun 30, 2023
- Conversion of LocalOperator to PauliStrings (#1515) · 426379d1
  Jannes Nys authored 1 year ago
  
  Implemented "LocalOperator.to_pauli_strings()" in the way I suggested in #1335
  426379d1
Jun 29, 2023
- Throw informative errors if one uses operators/hilbert inside of jax (#1509) · 76670da2
  Filippo Vicentini authored 1 year ago
  
  Throws informative errors when attempting to use `hilbert` and `operators` objects inside of jax function transformations, suggesting workarounds. Lies the foundation for a systematic error system in netket.
  76670da2
- remove some deprecations and warnings (#1512) · a5fe2158
  Filippo Vicentini authored 1 year ago
  
  a5fe2158
Jun 28, 2023

[Take-2] Infrastructure for Jax-based operators, IsingJax (#1506) · 3e54218d

Filippo Vicentini authored 1 year ago


This builds on top of the code written originally by Dian @wdphy16 and makes
fully jax-compliant Ising operators as well as lays the groundwork for
similar changes around.

replaces #1335 closes #1335

---------

Co-authored-by: Dian Wu <dian.wu@epfl.ch>
Co-authored-by: Clemens Giuliani <clemens@inailuig.it>

3e54218d

Jun 27, 2023

jit a few internal functions to make them work with global device arrays (#1507) · 639aff69
Clemens Giuliani authored 1 year ago
```
i.e. arrays which are `isinstance(x, jax.Array) and not x.is_fully_addressable`.
```
639aff69

Update myst-parser requirement from ~=0.18.1 to >=0.18.1,<2.1.0 (#1500) · dfb79488

dependabot[bot] authored 1 year ago

Updates the requirements on
[myst-parser](https://github.com/executablebooks/MyST-Parser) to permit
the latest version.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/executablebooks/MyST-Parser/releases">myst-parser's
releases</a>.</em></p>
<blockquote>
<h2>v2.0.0</h2>
<p>This release primarily updates core myst-parser dependencies,
with some minor changes to parsing behaviour:</p>
<ul>
<li>
<p> UPGRADE: <code>markdown-it-py</code> to v3 (<a
href="https://redirect.github.com/executablebooks/MyST-Parser/pull/773">executablebooks/MyST-Parser#773</a>)</p>
<ul>
<li>This is mainly a non-breaking change, fixing some edge cases in
parsing</li>
<li>See: <a
href="https://github.com/executablebooks/markdown-it-py/releases/tag/v3.0.0">https://github.com/executablebooks/markdown-it-py/releases/tag/v3.0.0</a>
and <a
href="https://github.com/executablebooks/mdit-py-plugins/releases/tag/v0.4.0">https://github.com/executablebooks/mdit-py-plugins/releases/tag/v0.4.0</a></li>
</ul>
</li>
<li>
<p> UPGRADE: <code>linkify-it-py</code> to v2 (<a
href="https://github.com/executablebooks/MyST-Parser/675">https://github.com/executablebooks/MyST-Parser/675</a>)</p>
<ul>
<li>Also fixes some edge cases in parsing</li>
<li>See: <a
href="https://github.com/tsutsu3/linkify-it-py/blob/main/CHANGELOG.md">https://github.com/tsutsu3/linkify-it-py/blob/main/CHANGELOG.md</a></li>
</ul>
</li>
<li>
<p> UPGRADE: Add support for <code>docutils</code> v0.20 (<a
href="https://github.com/executablebooks/MyST-Parser/775">https://github.com/executablebooks/MyST-Parser/775</a>)</p>
<ul>
<li>No significant changes, see <a
href="https://docutils.sourceforge.io/RELEASE-NOTES.html#release-0-20-2023-05-04">https://docutils.sourceforge.io/RELEASE-NOTES.html#release-0-20-2023-05-04</a></li>
</ul>
</li>
<li>
<p> UPGRADE: Add support for <code>sphinx</code> v7, and remove v5
support (<a
href="https://github.com/executablebooks/MyST-Parser/776">https://github.com/executablebooks/MyST-Parser/776</a>)</p>
<ul>
<li>No significant changes, see <a
href="https://www.sphinx-doc.org/en/master/changes.html">https://www.sphinx-doc.org/en/master/changes.html</a></li>
</ul>
</li>
<li>
<p> UPGRADE: Remove Python 3.7 support and add testing for Python 3.11
(<a
href="https://github.com/executablebooks/MyST-Parser/772">https://github.com/executablebooks/MyST-Parser/772</a>)</p>
</li>
<li>
<p> Improve default slug generation for heading anchors, thanks to <a
href="https://github.com/Cimbali"><code>@Cimbali</code></a> (<a
href="https://github.com/executablebooks/MyST-Parser/777">https://github.com/executablebooks/MyST-Parser/777</a>)</p>
<ul>
<li>This change makes the slug generation closer to GitHub, in that,
starting/ending whitespace will not be stripped.
For example, <code># ` a` b `c ` </code> will now correctly create the
slug <code>-a-b-c-</code> and not <code>a-b-c</code></li>
</ul>
</li>
<li>
<p> IMPROVE: Substitution extension (<a
href="https://github.com/executablebooks/MyST-Parser/777">https://github.com/executablebooks/MyST-Parser/777</a>)</p>
<ul>
<li>Allow any value type (including dict, list, datetime) and emit a
<code>myst.substitution</code> warning for errors in resolving the
substitution content.</li>
</ul>
</li>
<li>
<p> Introduce a gate/check GHA job, thanks to <a
href="https://github.com/webknjaz"><code>@webknjaz</code></a> (<a
href="https://github.com/executablebooks/MyST-Parser/635">https://github.com/executablebooks/MyST-Parser/635</a>)</p>
</li>
</ul>
<p><strong>Full Changelog</strong>: <a
href="https://github.com/executablebooks/MyST-Parser/compare/v1.0.0...v2.0.0">v1.0.0...v2.0.0</a></p>
</blockquote>
</details>
<details>
<summary>Changelog</summary>
<p><em>Sourced from <a
href="https://github.com/executablebooks/MyST-Parser/blob/master/CHANGELOG.md">myst-parser's
changelog</a>.</em></p>
<blockquote>
<h2>2.0.0 - 2023-06-13</h2>
<p>This release primarily updates core myst-parser dependencies,
with some minor changes to parsing behaviour:</p>
<ul>
<li>
<p> UPGRADE: <code>markdown-it-py</code> to v3 (<a
href="gh-pr:773">gh-pr:773</a>)</p>
<ul>
<li>This is mainly a non-breaking change, fixing some edge cases in
parsing</li>
<li>See: <a
href="https://github.com/executablebooks/markdown-it-py/releases/tag/v3.0.0">https://github.com/executablebooks/markdown-it-py/releases/tag/v3.0.0</a>
and <a
href="https://github.com/executablebooks/mdit-py-plugins/releases/tag/v0.4.0">https://github.com/executablebooks/mdit-py-plugins/releases/tag/v0.4.0</a></li>
</ul>
</li>
<li>
<p> UPGRADE: <code>linkify-it-py</code> to v2 (<a
href="gh-pr:675">gh-pr:675</a>)</p>
<ul>
<li>Also fixes some edge cases in parsing</li>
<li>See: <a
href="https://github.com/tsutsu3/linkify-it-py/blob/main/CHANGELOG.md">https://github.com/tsutsu3/linkify-it-py/blob/main/CHANGELOG.md</a></li>
</ul>
</li>
<li>
<p> UPGRADE: Add support for <code>docutils</code> v0.20 (<a
href="gh-pr:775">gh-pr:775</a>)</p>
<ul>
<li>No significant changes, see <a
href="https://docutils.sourceforge.io/RELEASE-NOTES.html#release-0-20-2023-05-04">https://docutils.sourceforge.io/RELEASE-NOTES.html#release-0-20-2023-05-04</a></li>
</ul>
</li>
<li>
<p> UPGRADE: Add support for <code>sphinx</code> v7, and remove v5
support (<a href="gh-pr:776">gh-pr:776</a>)</p>
<ul>
<li>No significant changes, see <a
href="https://www.sphinx-doc.org/en/master/changes.html">https://www.sphinx-doc.org/en/master/changes.html</a></li>
</ul>
</li>
<li>
<p> UPGRADE: Remove Python 3.7 support and add testing for Python 3.11
(<a href="gh-pr:772">gh-pr:772</a>)</p>
</li>
<li>
<p> Improve default slug generation for heading anchors, thanks to <a
href="gh-user:Cimbali">gh-user:Cimbali</a> (<a
href="gh-pr:777">gh-pr:777</a>)</p>
<ul>
<li>This change makes the slug generation closer to GitHub, in that,
starting/ending whitespace will not be stripped.
For example, <code># ` a` b `c ` </code> will now correctly create the
slug <code>-a-b-c-</code> and not <code>a-b-c</code></li>
</ul>
</li>
<li>
<p> IMPROVE: Substitution extension (<a
href="gh-pr:777">gh-pr:777</a>)</p>
<ul>
<li>Allow any value type (including dict, list, datetime) and emit a
<code>myst.substitution</code> warning for errors in resolving the
substitution content.</li>
</ul>
</li>
<li>
<p> Introduce a gate/check GHA job, thanks to <a
href="gh-user:webknjaz">gh-user:webknjaz</a> (<a
href="gh-pr:635">gh-pr:635</a>)</p>
</li>
</ul>
<p><strong>Full Changelog</strong>: <a
href="https://github.com/executablebooks/MyST-Parser/compare/v1.0.0...v2.0.0">v1.0.0...v2.0.0</a></p>
<h2>1.0.0 - 2023-03-07</h2>
<p> <strong>MyST-Parser 1.0.0</strong> </p>
<p>This changes absolutely nothing in the code, or about the
maintenance/release policy of this project.
But it does feel about time </p>
<h2>0.19.2 - 2023-03-02</h2>
<p> NEW: Add myst_fence_as_directive config (<a
href="gh-pr:742">gh-pr:742</a>)</p>
<p>Setting the following config, for example:</p>
<pre lang="python"><code>extensions = [&quot;myst_parser&quot;,
&quot;sphinxcontrib.mermaid&quot;]
myst_fence_as_directive = [&quot;mermaid&quot;]
# optional to use directive options
&lt;/tr&gt;&lt;/table&gt; 
</code></pre>
</blockquote>
<p>... (truncated)</p>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/executablebooks/MyST-Parser/commit/4ae5863b910b91db0f6d279ebf41c93051bdf1e2"><code>4ae5863</code></a>
 RELEASE: v2.0.0 (<a
href="https://redirect.github.com/executablebooks/MyST-Parser/issues/783">#783</a>)</li>
<li><a
href="https://github.com/executablebooks/MyST-Parser/commit/28a9df3159959ce66755c88787fefba221ce02e9"><code>28a9df3</code></a>
 Improve default slug generation for heading anchors (<a
href="https://redirect.github.com/executablebooks/MyST-Parser/issues/753">#753</a>)</li>
<li><a
href="https://github.com/executablebooks/MyST-Parser/commit/80b892ff67734cc8e243c27c0e3dc0eceaeb5c71"><code>80b892f</code></a>
 Update sphinxext-opengraph from ~=0.7.5 to ~=0.8.2 (<a
href="https://redirect.github.com/executablebooks/MyST-Parser/issues/759">#759</a>)</li>
<li><a
href="https://github.com/executablebooks/MyST-Parser/commit/3fb7d9efbfc4b3a6128249c734d8db99bb0141ba"><code>3fb7d9e</code></a>
 Minor doc improvement (<a
href="https://redirect.github.com/executablebooks/MyST-Parser/issues/779">#779</a>)</li>
<li><a
href="https://github.com/executablebooks/MyST-Parser/commit/4d490237f5ddfca31d25b8271384f1f9915c77c2"><code>4d49023</code></a>
 DOCS improvement (<a
href="https://redirect.github.com/executablebooks/MyST-Parser/issues/778">#778</a>)</li>
<li><a
href="https://github.com/executablebooks/MyST-Parser/commit/3a6bbb1637ad0eadea0908c7bab28c2e7aa714f3"><code>3a6bbb1</code></a>
 IMPROVE: Substitution extension (<a
href="https://redirect.github.com/executablebooks/MyST-Parser/issues/777">#777</a>)</li>
<li><a
href="https://github.com/executablebooks/MyST-Parser/commit/b043351c6831a6a4eacbd742b7f795a1c4b71710"><code>b043351</code></a>
 UPGRADE: sphinx 7, drop sphinx 5 (<a
href="https://redirect.github.com/executablebooks/MyST-Parser/issues/776">#776</a>)</li>
<li><a
href="https://github.com/executablebooks/MyST-Parser/commit/19b00d2a9826fd0a444eada1207143b402d7b106"><code>19b00d2</code></a>
 Introduce a gate/check GHA job (<a
href="https://redirect.github.com/executablebooks/MyST-Parser/issues/635">#635</a>)</li>
<li><a
href="https://github.com/executablebooks/MyST-Parser/commit/41582e278e0efe92838dbd241c7f41fa791292b4"><code>41582e2</code></a>
 UPGRADE: allow docutils v0.20.x (<a
href="https://redirect.github.com/executablebooks/MyST-Parser/issues/775">#775</a>)</li>
<li><a
href="https://github.com/executablebooks/MyST-Parser/commit/40a548d589ce596aa9f6c22c8fca73c155996fcd"><code>40a548d</code></a>
 Update linkify-it-py requirement from ~=1.0 to ~=2.0 (<a
href="https://redirect.github.com/executablebooks/MyST-Parser/issues/675">#675</a>)</li>
<li>Additional commits viewable in <a
href="https://github.com/executablebooks/MyST-Parser/compare/v0.18.1...v2.0.0

">compare
view</a></li>
</ul>
</details>
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dfb79488

Switch the order of axes in the output of the samplers (#1502) · 5ccd622e

Clemens Giuliani authored 1 year ago


Previously the samplers were outputting arrays of shape
`(n_samples_per_chain, n_chains, ...)`, an artefact of the jax scan
being used to do the sampling, which was inconsistent with e.g.
`nk.stats.statistics` which expects `(n_chains, n_samples_per_chain,
...)`.
This PR swaps the order of the axes in the output of the samplers to
`(n_chains, n_samples_per_chain, ...)`, so that we have a consistent
order everywhere.

---------

Co-authored-by: Filippo Vicentini <filippovicentini@gmail.com>

5ccd622e

Use an accumulator for the acceptance in the samplers (#1503) · af0be1e0
Clemens Giuliani authored 1 year ago
```
avoids doing a horizontal sum over all the chains at every sampling
step.
```
af0be1e0

Jun 26, 2023

Add `ConvergenceStopping` callback to stop driver upon convergence to a certain value (#1481) · cbe2b20d

Filippo Vicentini authored 1 year ago

Also improve `EarlyStopping` to support a relative tolerance, which is
needed to use it when optimising the infidelity or other quantities
converging to zero...

@alleSini99 can you tell me if we need something else to be able to
implement the black-box infidelity driver in netket fidelity?

cbe2b20d

Jun 19, 2023
- Update to Python 3.8 (#1475) · db722d70
  Filippo Vicentini authored 1 year ago
  
  uses `pyupgrade` to clean up several string manipulation routines
  db722d70
Jun 08, 2023

remove support for jax 0.3 / Python 3.7 (#1468) · 7bdf6a95

Filippo Vicentini authored 1 year ago

Jax dropped support for Python 3.7 (which is officially unsupported by
the numerical ecosystem since December).
PR #1461 for a fix requires recent versions of jax >=0.4, and I don't
have the time to invest in finding workarounds to fix the bug with older
jax versions.

As we [have almost no users who install netket on python
3.7](https://pypistats.org/packages/netket) (on average we have 1
download per day, vs 35 on python 3.9 and 40, and jax already dropped
support for python 3.7, I would like to go down this way.

In any case, more modern tricks with jax.array and auto partitioning
will require it so...

7bdf6a95

May 31, 2023

Update fermi_hubbard.py, correct typos (#1487) · fae7c329

Imelda Romero authored 1 year ago

Correct creation and annihilation operators (the names were swapped in
the definition)

closes #1486

fae7c329

May 23, 2023
- Rename ExactState to FullSummationState (#1477) · 26372e35
  Filippo Vicentini authored 1 year ago
  
  This has long confused people... closes #1330
  26372e35
- fix docs · bbfad722
  Filippo Vicentini authored 1 year ago
  
  bbfad722
May 16, 2023
- docs up · e2ea871e
  Filippo Vicentini authored 1 year ago
  
  e2ea871e
May 08, 2023

Changeling for release (#1474) · c4f9c0cc
Filippo Vicentini authored 1 year ago

v3.8

c4f9c0cc

[NFC] Export `jacobian_default_mode` (#1473) · 6fef3b68

Filippo Vicentini authored 1 year ago

Move and renames the internal `chose_qgt` from the qgt module to
`nk.jax.jacobian_default_mode`, and properly documents it.

It turns out it's useful to implement NTK and other objects, and GPSKet
uses it as well, so let's make it public API together with Jacobian..

This changes nothing, simply moves a function (adds a deprecation
warning for the internal function in case anybody uses this function)
and adds more extensive docstrings.

6fef3b68

Chunking apply_fun for MCState.to_array (#1470) · 53264b41

alessandro_sinibaldi authored 1 year ago


`MCState.to_array()` cannot be used to instantiate the wave function
over the full Hilbert space for systems with fairly large size (but that
should be still accessible) due to a large memory usage. The
modification in `MCState.to_array()` consists in the possibility of
computing the wave function over chunks of the Hilbert space of size
`MCState.chunk_size` that are then combined to get the complete state
vector.

---------

Co-authored-by: Clemens Giuliani <clemens@inailuig.it>

53264b41