wai-quantum 0.3.37: complex neural quantum states, and referees that cannot stop on an excited state #176
2026-10-06
wai-quantum 0.3.37: nqs_ground declares its feature
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Without it a build of every example with default features failed on it (since 0.3.36). Co-Authored-By: Claude Opus 5.5 <[email protected]>
wai-quantum 0.3.37: the 10-site trap is spin-flip parity, not momentum; drop a stray probe
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With zero biases the network is exactly even under a global spin flip, and training keeps it even. A singlet is odd when half the ring is odd, so on 10-site rings the ground state was out of reach. Drawn biases reach it, and the docs now say so, with both starts measured. The earlier text blamed momentum, which is wrong. Also removes examples/nqs_probe.rs, a scratch probe that the squash swept in. Co-Authored-By: Claude Opus 5.5 <[email protected]>
wai-quantum 0.3.37: complex neural quantum states, and referees that cannot stop on an excited state
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Fix. In 0.3.36, Lanczos stopped a restart as soon as its lowest Ritz pair
converged. That is safe from DMRG's warm starts, but from the referees' cold
ones that pair can be an excited state. Exact diagonalisation of the 8-site
Majumdar-Ghosh ring returned -2.595 instead of -3, and a variational energy
came out below it. Early stopping is now opt-in, used by the DMRG sweeps only;
exact diagonalisation, full CI and the spin-model referee build every Krylov
vector. The DMRG and NQS pins were re-taken.
New: the RBM, VMC and stochastic reconfiguration are generic over real and
complex parameters, and the real path keeps its bits.
- The complex path adds exp, ln cosh and tanh, the Hermitian reconfiguration
step in either space, and a Hermitian Cholesky.
- New lattices: J1-J2 models, plus next-nearest bonds on chains and diagonal
bonds on square lattices.
- A complex network learns sign structures nobody supplied. On 8-site rings it
gets within 2e-3 where a real one stays >10% off, and the CLI solves the
8-site Majumdar-Ghosh ring to rounding. On 12-site rings: Majumdar-Ghosh
2e-6, J1-J2 (0.3) 3.5e-4.
- Measured and documented:
- 10-site rings settle on a momentum-zero excited eigenstate, because the
ground state has momentum pi.
- At J2 = 0.5 on the 4x4 torus, alpha = 1 stays about 3% above exact.
The NQS pin now covers a complex machine. All 22 pins pass natively and
under wasm32-wasip2. The nqs CLI gains --complex, --model j1j2 and
--periodic, byte-identical under WASI.
Co-Authored-By: Claude Opus 5.5 <[email protected]>