Skip to content

Commit

Permalink
GQE demo using Pennylane (#1119)
Browse files Browse the repository at this point in the history
### Before submitting

Please complete the following checklist when submitting a PR:

- [ ] Ensure that your tutorial executes correctly, and conforms to the
      guidelines specified in the [README](../README.md).

- [ ] Remember to do a grammar check of the content you include.
- [ ] All tutorials conform to
      [PEP8 standards](https://www.python.org/dev/peps/pep-0008/).
      To auto format files, simply `pip install black`, and then
      run `black -l 100 path/to/file.py`.

When all the above are checked, delete everything above the dashed
line and fill in the pull request template.


------------------------------------------------------------------------------------------------------------

**Title:**
Generative quantum eigensolver demo using Pennylane

**Summary:**
We use Pennylane to generate a static molecular dataset and calculate
the corresponding energies to train a small GPT model as described by
https://arxiv.org/abs/2401.09253. We show that as training progresses,
the GPT model generates operator sequences whose predicted energies more
accurately resembles the true energies calculated by Pennylane. In
addition, the sampling process is shown to better generate the ground
state for better performing models.

- Story ticket:
https://app.shortcut.com/xanaduai/story/64095/contribute-gqe-demo-as-a-pennylane-demo

**Relevant references:**

**Possible Drawbacks:**

**Related GitHub Issues:**

----
If you are writing a demonstration, please answer these questions to
facilitate the marketing process.

* GOALS — Why are we working on this now?

*Eg. Promote a new PL feature or show a PL implementation of a recent
paper.*


* AUDIENCE — Who is this for?

*Eg. Chemistry researchers, PL educators, beginners in quantum
computing.*


* KEYWORDS — What words should be included in the marketing post?


* Which of the following types of documentation is most similar to your
file?
(more details
[here](https://www.notion.so/xanaduai/Different-kinds-of-documentation-69200645fe59442991c71f9e7d8a77f8))
    
- [ ] Tutorial
- [ ] Demo
- [ ] How-to

---------

Co-authored-by: JosephRRB <[email protected]>
Co-authored-by: Josh Izaac <[email protected]>
Co-authored-by: Ivana Kurečić <[email protected]>
  • Loading branch information
4 people authored Sep 20, 2024
1 parent 9b43399 commit 8c3ed01
Show file tree
Hide file tree
Showing 11 changed files with 781 additions and 0 deletions.
Binary file added _static/authors/joseph_bunao.jpg
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
4 changes: 4 additions & 0 deletions _static/authors/joseph_bunao.txt
Original file line number Diff line number Diff line change
@@ -0,0 +1,4 @@
.. bio:: Joseph Bunao
:photo: ../_static/authors/joseph_bunao.jpg

Joseph is a machine learning specialist at Xanadu. His main focus is to accelerate quantum hardware research and processes using machine learning.
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
74 changes: 74 additions & 0 deletions demonstrations/gqe_training.metadata.json
Original file line number Diff line number Diff line change
@@ -0,0 +1,74 @@
{
"title": "Generative quantum eigensolver training using PennyLane data",
"authors": [
{
"username": "Joseph"
},
{
"username": "zy_n"
}
],
"dateOfPublication": "2024-09-20T00:00:00+00:00",
"dateOfLastModification": "2024-09-20T00:00:00+00:00",
"categories": ["Quantum Machine Learning", "Quantum Chemistry", "Algorithms"],
"tags": [],
"previewImages": [
{
"type": "thumbnail",
"uri": "_static/demo_thumbnails/regular_demo_thumbnails/thumbnail_generative_quantum_eigensolver.png"
},
{
"type": "large_thumbnail",
"uri": "/_static/demo_thumbnails/large_demo_thumbnails/thumbnail_large_generative_quantum_eigensolver.png"
}
],
"seoDescription": "Learn how you can train a small GPT model using the generative quantum eigensolver (GQE) technique and PennyLane data.",
"doi": "",
"canonicalURL": "/qml/demos/gqe_training",
"references": [
{
"id": "nakaji2024",
"type": "article",
"title": "The generative quantum eigensolver (GQE) and its application for ground state search",
"authors": "K. Nakaji, L. B. Kristensen, J. A. Campos-Gonzalez-Angulo, M. G. Vakili, H. Huang, M. Bagherimehrab, C. Gorgulla, F. Wong, A. McCaskey, J. S. Kim, T. Nguyen, P. Rao, A. Aspuru-Guzik",
"year": "2024",
"journal": "",
"url": "https://arxiv.org/abs/2401.09253"
},
{
"id": "radford2019",
"type": "article",
"title": "Language Models are Unsupervised Multitask Learners",
"authors": "A. Radford, J. Wu, R. Child, D. Luan, D. Amodei, I. Sutskever",
"year": "2019",
"journal": "OpenAI blog",
"url": "https://openai.com/index/better-language-models/"
},
{
"id": "vaswani2017",
"type": "article",
"title": "Attention is All you Need",
"authors": "A. Vaswani, N. Shazeer, N. Parmar, J. Uszkoreit, L. Jones, A. N. Gomez, L. Kaiser, I. Polosukhin",
"year": "2017",
"journal": "Advances in Neural Information Processing Systems",
"url": "https://papers.nips.cc/paper_files/paper/2017/hash/3f5ee243547dee91fbd053c1c4a845aa-Abstract.html"
}
],
"basedOnPapers": [
"10.48550/arXiv.2401.09253"
],
"referencedByPapers": [],
"relatedContent": [
{
"type": "demonstration",
"id": "tutorial_vqe",
"weight": 1.0
},
{
"type": "demonstration",
"id": "tutorial_vqe_qng",
"weight": 1.0
}
],
"hardware": []
}
703 changes: 703 additions & 0 deletions demonstrations/gqe_training.py

Large diffs are not rendered by default.

0 comments on commit 8c3ed01

Please sign in to comment.