arXiv: cs.AI preprintsInternational6 November 2026
Equivariant Deep Learning in Direct-Product Space for Electronic-Structure Hamiltonian Prediction
This is an official announcement record
Firsthand records what arXiv: cs.AI preprints announced and links to the original. The wording below is theirs, not ours.
arXiv:2611.07695v1 Announce Type: cross Abstract: Most existing equivariant architectures for Hamiltonian prediction propagate features in direct-sum spaces of irreducible spherical tensors, whereas the target Hamiltonian is naturally an operator block in a direct-product representation over local orbital and spin bases. This representation mismatch fragments contiguous Hamiltonian blocks, obscures direct manipulation of orbital couplings, and organizes features into irregular angular-momentum components that require numerous transformations and are poorly aligned with efficient hardware execu
Read the official announcement
Opens arxiv.org
More from arXiv: cs.AI preprints
- Formalizing inverse problems in the age of AI: possibilities, pitfalls, and an invitation6 November 2026
- KDASO: Knowledge-Data Dual-Driven Automated Skill Optimization for Liability Adjudication Tasks6 November 2026
- BlockLock: Reproducible LLM Inference with Fixed Batch Geometry6 November 2026
- Resource-Efficient Reinforcement Learning Post-Training through Elastic Expert Parallelism6 November 2026
- The Two-Ledger Model: Transaction-Grain Cost Accounting for Multi-Agent AI Systems Across Clouds, Models, and Systems of Record6 November 2026
This content is for informational purposes only and is not professional advice. Specifications, prices, plan tiers, and features change frequently and may differ from what is shown here; verify current details on the manufacturer's or company's official page before purchasing. Ratings are based on analysis of published documentation, not independent lab testing.