Postponing the orthogonality catastrophe: efficient state preparation\n for electronic structure simulations on quantum devices
Why this work is in the frame
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Bibliographic record
Abstract
Despite significant work on resource estimation for quantum simulation of\nelectronic systems, the challenge of preparing states with sufficient ground\nstate support has so far been largely neglected. In this work we investigate\nthis issue in several systems of interest, including organic molecules,\ntransition metal complexes, the uniform electron gas, Hubbard models, and\nquantum impurity models arising from embedding formalisms such as dynamical\nmean-field theory. Our approach uses a state-of-the-art classical technique for\nhigh-fidelity ground state approximation. We find that easy-to-prepare single\nSlater determinants such as the Hartree-Fock state often have surprisingly\nrobust support on the ground state for many applications of interest. For the\nmost difficult systems, single-determinant reference states may be\ninsufficient, but low-complexity reference states may suffice. For this we\nintroduce a method for preparation of multi-determinant states on quantum\ncomputers.\n
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Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.002 | 0.001 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it