Coherent Floquet quantum reservoirs for molecular property prediction
Updated 6 h ago · first seen 11 Sept 2026
paper_01M294FQK1T9FWQM53GEW668ZD
- Published
- 11 Sept 2026
- T1 · 6 h ago
- arXiv
- 2609.11071
- T1 · 6 h ago
- Category
- quant-ph
- T1 · 6 h ago
Abstract
Quantum reservoir computing (QRC) uses quantum dynamics to represent input histories for prediction through a trained classical readout. Discrete time crystals (DTCs) exhibit robust subharmonic responses under periodic driving, and previous work has used their dynamics to construct DTC-QRC. Here we construct a DTC-based reservoir architecture to predict molecular properties from structural and dynamical observations. Coherent Floquet evolution processes local molecular graph events and surface-hopping frames, while controlled reset regulates the contribution of earlier inputs. Measurements at the end of each input sequence yield a feature vector of fixed dimension. Trained classical decoders use this vector for inhibitor-activity and blood--brain-barrier permeability classification and electronic-gap forecasting, while the reservoir parameters remain fixed during training. With matched input lengths and output widths, DTC-QRC outperforms echo-state networks on long-prefix graph classification and the studied ethene gap forecasting tasks. Dephasing lowers performance in both applications, consistent with a role for coherent propagation. Experiments on the Quafu superconducting quantum cloud platform show that pair observables retain task information under device noise. The architecture provides a common framework for molecular screening and time-resolved property prediction using quantum reservoir computing.
Authors 8
Luofei Wang, Da Zhang, Congren Wang, Yiming Li, Yuxiao Yang, Xuan Zhang, Xuefeng Cui, Zhang-Qi Yin
Specification
- Official page
Source:arXiv (Atom API + RSS)T1observed 6 h agohigh
- Arxiv announce type
- cross
Source:arXiv (Atom API + RSS)T1observed 6 h agohigh
- arXiv id
- 2609.11071
Source:arXiv (Atom API + RSS)T1observed 6 h agohigh
- Categories
- quant-ph, cs.LG
Source:arXiv (Atom API + RSS)T1observed 6 h agohigh
Source:arXiv (Atom API + RSS)T1observed 6 h agohigh
- Primary category
- quant-ph
Source:arXiv (Atom API + RSS)T1observed 6 h agohigh
- Published
- 11 Sept 2026
Source:arXiv (Atom API + RSS)T1observed 6 h agohigh
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9
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T19
Freshest observation
6 h ago
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- Authors
- Luofei Wang, Da Zhang, Congren Wang
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Official pageofficial_url1
| Value | Valid from → to | Status | Source | Confidence | Extractor |
|---|---|---|---|---|---|
| https://arxiv.org/abs/2609.11071 | → current | current | arXiv (Atom API + RSS)T1 | high | deterministic |
Abstractabstract1
| Value | Valid from → to | Status | Source | Confidence | Extractor |
|---|---|---|---|---|---|
| Quantum reservoir computing (QRC) uses quantum dynamics to represent input histories for prediction through a trained classical readout. Discrete time crystals (DTCs) exhibit robust subharmonic responses under periodic driving, and previous work has used their dynamics to construct DTC-QRC. Here we construct a DTC-based reservoir architecture to predict molecular properties from structural and dynamical observations. Coherent Floquet evolution processes local molecular graph events and surface-hopping frames, while controlled reset regulates the contribution of earlier inputs. Measurements at the end of each input sequence yield a feature vector of fixed dimension. Trained classical decoders use this vector for inhibitor-activity and blood--brain-barrier permeability classification and electronic-gap forecasting, while the reservoir parameters remain fixed during training. With matched input lengths and output widths, DTC-QRC outperforms echo-state networks on long-prefix graph classification and the studied ethene gap forecasting tasks. Dephasing lowers performance in both applications, consistent with a role for coherent propagation. Experiments on the Quafu superconducting quantum cloud platform show that pair observables retain task information under device noise. The architecture provides a common framework for molecular screening and time-resolved property prediction using quantum reservoir computing. | → current | current | arXiv (Atom API + RSS)T1 | high | deterministic |
Arxiv announce typearxiv_announce_type1
| Value | Valid from → to | Status | Source | Confidence | Extractor |
|---|---|---|---|---|---|
| cross | → current | current | arXiv (Atom API + RSS)T1 | high | deterministic |
arXiv idarxiv_id1
| Value | Valid from → to | Status | Source | Confidence | Extractor |
|---|---|---|---|---|---|
| 2609.11071 | → current | current | arXiv (Atom API + RSS)T1 | high | deterministic |
Categoriescategories1
| Value | Valid from → to | Status | Source | Confidence | Extractor |
|---|---|---|---|---|---|
| quant-ph, cs.LG | → current | current | arXiv (Atom API + RSS)T1 | high | deterministic |
PDFpdf_url1
| Value | Valid from → to | Status | Source | Confidence | Extractor |
|---|---|---|---|---|---|
| https://arxiv.org/pdf/2609.11071 | → current | current | arXiv (Atom API + RSS)T1 | high | deterministic |
Primary categoryprimary_category1
| Value | Valid from → to | Status | Source | Confidence | Extractor |
|---|---|---|---|---|---|
| quant-ph | → current | current | arXiv (Atom API + RSS)T1 | high | deterministic |
Publishedpublished_at1
| Value | Valid from → to | Status | Source | Confidence | Extractor |
|---|---|---|---|---|---|
| 11 Sept 2026 | → current | current | arXiv (Atom API + RSS)T1 | high | deterministic |
Claims are temporal and append-only: a new observation closes the previous claim (valid_to) instead of overwriting it. Conflicting claims from different sources are kept side by side and flagged — never averaged. Methodology →
New paper: Coherent Floquet quantum reservoirs for molecular property prediction
arxiv
| Source | Document | Type | Tier | Last observed | Snapshots |
|---|---|---|---|---|---|
| arXiv (Atom API + RSS) | rss.arxiv.org/rss/cs.LG | feed | T1· Official | 5 h ago | 1 |
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