{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/a-feasible-approach-for-automatically","title":"A Feasible Approach for Automatically Differentiable Unitary Coupled-Cluster on Quantum Computers","arxiv_id":"2011.05938","date":"2020-11-11","proceeding":null,"authors":["Jakob S. Kottmann","Abhinav Anand","Alán Aspuru-Guzik"],"abstract":"We develop computationally affordable and encoding independent gradient evaluation procedures for unitary coupled-cluster type operators, applicable on quantum computers. We show that, within our framework, the gradient of an expectation value with respect to a parameterized n-fold fermionic excitation can be evaluated by four expectation values of similar form and size, whereas most standard approaches based on the direct application of the parameter-shift-rule come with an associated cost of O(2^(2n)) expectation values. For real wavefunctions, this cost can be further reduced to two expectation values. Our strategies are implemented within the open-source package tequila and allow blackboard style construction of differentiable objective functions. We illustrate initial applications for electronic ground and excited states.","url_abs":"https://arxiv.org/abs/2011.05938v1","url_pdf":"https://arxiv.org/pdf/2011.05938v1.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"links_only","authors_date_abstract":"arXiv metadata, CC0 1.0 (https://info.arxiv.org/help/license), from the Kaggle arXiv metadata snapshot of 2026-09-12"},"code_links":[{"paper_slug":"a-feasible-approach-for-automatically","repo_url":"https://github.com/aspuru-guzik-group/tequila","is_official":1,"mentioned_in_paper":1,"mentioned_in_github":1,"framework":"jax","reach":{"status":"ok","spdx":"MIT"}}],"tasks":[],"methods":[],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"atlas_url":"https://app.syntology.ai/?focus=2011.05938","mcp":null,"developers":"https://syntology.ai/developers"},"arxiv_metadata":null,"syntology_extracted_results":null}