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Document DMRG mindim default#34

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fix/issue-1-lapack-qubo
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Document DMRG mindim default#34
bernalde wants to merge 3 commits into
mainfrom
fix/issue-1-lapack-qubo

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@bernalde

@bernalde bernalde commented May 15, 2026

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Summary

Tests run

  • git diff --check
    • Result: passed.
  • julia +1.12 --project=. -e 'using Pkg; Pkg.test()'
    • Result: passed.

Notes

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No blocking issues found. The PR addresses issue #1 by making the QUBO DMRG path use a stable default minimum bond dimension and by handling one-site QUBOs without calling ITensor DMRG, which does not support that case.

Tests reviewed:

  • JULIA_DEPOT_PATH=/tmp/tensolver-julia-depot-110 julia +1.10 --project=/tmp/tensolver-test-env -e 'using TenSolver; cases = Any[(reshape([-2.0], 1, 1), -2.0, [1]), (reshape([2.0], 1, 1), 0.0, [0]), (reshape([0.0], 1, 1), 0.0, nothing)]; for (Q, expected, sample_expected) in cases; E, psi = minimize(Q; verbosity=0); @Assert E ≈ expected; if sample_expected !== nothing; @Assert TenSolver.sample(psi) == sample_expected; else; @Assert [0] in psi && [1] in psi; end; end; println("one-site Float64 cases passed")'
  • JULIA_DEPOT_PATH=/tmp/tensolver-julia-depot-110 julia +1.10 --project=/tmp/tensolver-test-env -e 'using Test, LinearAlgebra, TenSolver; include("test/cases/vrp.jl")'
  • JULIA_DEPOT_PATH=/tmp/tensolver-julia-depot-110 julia +1.10 --project=/tmp/tensolver-test-env -e 'using Pkg; Pkg.test("TenSolver")'
  • JULIA_DEPOT_PATH=/tmp/tensolver-julia-depot-110 julia +1.10 --project=/tmp/tensolver-test-env -e 'using TenSolver; Q = reshape([-2], 1, 1); E, psi = minimize(Q; verbosity=0); @Assert E == -2; @Assert TenSolver.sample(psi) == [1]; println("one-site Int case passed")'

CI reviewed with gh pr checks --watch --fail-fast: all checks passed across Julia 1, lts, and pre on Ubuntu, macOS, and Windows, plus docs.

@bernalde bernalde requested a review from iagoleal May 15, 2026 20:42
@iagoleal

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That error was unrelated to the mindim (in the sense that it could both improve or worsen the situation). In general, modifying the Krylov solver's tolerance helped with the LAPACK error, but I could never reproduce it outside of Anvil.

It is (most probably) dependent on this issue being fixed:

Jutho/KrylovKit.jl#57

The exact one-variable solve path is good to have! But I'd prefer it to be a separate method for better organization.

@bernalde

bernalde commented Jun 2, 2026

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Addressed iagoleal discussion comment in cee7857.

Commits pushed:

  • cee7857 Refactor single-variable QUBO solve path

Main changes:

  • Moved the exact one-variable QUBO path into a private _minimize_single_variable helper.
  • Restored mindim defaults and docs to 1, since the LAPACK issue was not caused by that default and targeted/full tests passed with mindim = 1.

Tests:

  • julia --startup-file=no --project=/tmp/tensolver-pr34-env -e 'using Test, TenSolver; ...' one-site QUBO checks: passed, 9 tests.
  • julia --startup-file=no --project=/tmp/tensolver-pr34-env -e 'using Test, LinearAlgebra, TenSolver; include("test/utils.jl"); include("test/qubo.jl")': passed, 74 tests.
  • julia --startup-file=no --project=/tmp/tensolver-pr34-env -e 'using Pkg; Pkg.test("TenSolver")': passed, including Aqua and doctests.

Not addressed:

  • No unresolved review threads were present.
  • No change was made for the upstream KrylovKit issue beyond avoiding the one-site DMRG path; broader KrylovKit behavior is out of this PR scope.

Remaining risks:

  • The original Anvil-specific LAPACK failure is still not locally reproducible; CI should validate the PR across the configured Julia and OS matrix.

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Senior maintainer review. Note: I am the PR author, so GitHub only permits a COMMENT event from me; a formal approval or change-request must come from another maintainer. Given the blocking items below, I would not merge this until they are addressed.

Diff verification: merge-base ca27880; git diff <merge-base>..HEAD --stat = 3 files, +36 / -2, matching the PR's reported totals.

Blocking

  1. The PR description does not match the code. The summary's first bullet claims the default DMRG mindim is increased to 2 for both the direct solver and the JuMP optimizer path. The code does not do this: mindim stays 1 in src/solver.jl (direct path) and in the MOI attribute in src/TenSolver.jl. The only mindim-related change is a docstring line documenting the default as 1 (src/solver.jl:130). The change that actually touches the VRP regression is the removal of the mindim = 2 workaround in test/cases/vrp.jl:24. A description that misrepresents the change misleads reviewers and the changelog. Fix: correct the summary to describe what the PR actually does (remove the workaround; add an exact single-variable path), or implement the mindim default bump if that was the intent.

  2. Closes #1 is not justified. Issue #1 is a LAPACKException(12) from the DMRG eigensolver on multi-variable VRP QUBOs. This PR adds no code addressing that eigensolver instability; it deletes the mindim = 2 workaround that was added to avoid it (test/cases/vrp.jl:24) and relies on the exception no longer reproducing in the current dependency versions. The new single-variable exact path is orthogonal to #1 (which concerns multi-variable matrices). Merging with Closes #1 would wrongly auto-close the issue. Fix: change to Refs #1, and either (a) add a regression guard (a Project.toml compat bound on the eigensolver dependency, or a documented mindim/noise floor), or (b) close #1 deliberately as "no longer reproducible" with that rationale stated, rather than as a merge side effect.

Nonblocking

  1. No test exercises the new single-variable path through the JuMP/QUBODrivers route. _minimize_single_variable is reachable via _minimize (src/solver.jl:240), so a 1-variable QUBO submitted via JuMP hits it, but test/qubo.jl:46 only covers the direct minimize. Add a single-variable JuMP/MOI test in test/jump.jl.

  2. The PR "Tests run" commands reference julia +1.10, JULIA_DEPOT_PATH=/tmp/tensolver-julia-depot-110, and /tmp/tensolver-test-env, none of which exist on a fresh checkout. The results do reproduce, but document the standard invocation instead: julia --project=. -e 'using Pkg; Pkg.instantiate(); Pkg.test()'.

Question

  1. For the single-variable path, Solution.energies is length-1 and exact, whereas the DMRG path stores per-iteration expected objectives. Downstream consumers of energies see a different log shape for 1-variable problems. Intended?

Tests run (Julia 1.10.11, clean worktree on the PR head, fresh depot):

  • julia --project=. -e 'using Pkg; Pkg.instantiate(); Pkg.test()' — full suite passed (Testing TenSolver tests passed): QUBO 74/74 incl. new "Single variable", QUBODrivers.jl 130, Aqua.jl 11, VRP 2, HDF5 16, Doctests 1.
  • VRP minimize(Q, beta; cutoff=1e-10) across RNG seeds 1-8: 0 LAPACKExceptions, all E=5.0. The exception from #1 is not reproducible in the current dependency environment.
  • New single-variable path checked directly: min / tie to full superposition / maximize / linear+const all correct.

Merge readiness: The single-variable exact path is correct and well-tested, and the suite is green. But the PR misrepresents its own change and uses Closes #1 without delivering a fix for issue #1's root cause. I would not merge this until the blocking issues above are addressed. The formal verdict must come from another maintainer.

Comment thread src/solver.jl
Integer or array of integer specifying the bond dimension per iteration.
You can use this keyword to control the solver's accuracy vs resources trade-off.
- `mindim` - The minimum allowed bond dimension, if possible.
- `mindim` - The minimum allowed bond dimension, if possible. Defaults to `1`.

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Blocking: this docstring documents the default mindim as 1, but the PR summary claims the default was raised to 2. The code keeps mindim = 1 everywhere. Either fix the PR description or actually change the default.

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Addressed in eb53819. The PR title/body no longer claims a mindim = 2 default, and the docstring now explicitly documents the current default as 1.

Comment thread test/cases/vrp.jl Outdated
Q, beta = vrp_6nodes()

E, psi = minimize(Q, beta; cutoff=1e-10, mindim = 2)
E, psi = minimize(Q, beta; cutoff=1e-10)

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Blocking (re #1): this removes the mindim = 2 workaround that was added specifically to avoid the LAPACKException(12) of issue #1. The test passes now only because that exception is not reproducible in the current dependency versions; nothing here guards against it recurring. With Closes #1, merging would wrongly auto-close the issue. Use Refs #1 and add a regression guard, or close #1 deliberately with rationale.

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Addressed in eb53819. The VRP test keeps mindim = 2, and the PR body now uses Refs #1 instead of closing #1.

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Review of PR #34 (head cee7857, base main). I verified the diff against the merge-base ca27880; the reported totals (3 files, +36/-2) match. Note this branch was cut from ca27880, well before the current main tip 61c8def. main has since advanced through PRs #48, #49, #53, #54 (now v0.2.0), and that materially changes how this PR should be judged.

Summary up front: the PR's central claims do not match its diff, and most of its remaining content is already on main. I would not merge this until the blocking issues below are addressed. (Formal verdict note: I am the PR author identity here, so GitHub will not let me submit APPROVE/REQUEST_CHANGES on my own PR; this is posted as COMMENT and the formal blocking verdict must come from another maintainer.)

Blocking

  1. The PR description does not match the code. The summary says it will "Increase the default DMRG mindim to 2 for both the direct solver and JuMP optimizer path." The diff does not change any default: mindim remains 1 in _minimize (src/solver.jl) and the docstring is edited to say "Defaults to 1". The only behavioral change to the VRP path is that the test drops the mindim = 2 argument (test/cases/vrp.jl). So the VRP regression test is now run with mindim = 1, which is the exact configuration issue #1 reports as triggering LAPACKException(12), with nothing in the PR compensating for it. Either the code change (raise the default) is missing, or the description is wrong; as written, the VRP change removes a workaround without supplying a replacement. Fix: decide the intended behavior and make the code and description agree — either actually raise the default mindim (and justify it), or keep the test workaround and rewrite the description.

  2. Issue-intent mismatch / "Closes #1" is not supported. Issue #1 is specifically about LAPACKException on the eigensolver during DMRG for vrp-as-qubo matrices. Nothing in this diff changes the eigensolver, DMRG parameters, or numerical-stability handling. The single-variable branch is unrelated to the 11-variable VRP failure, and removing mindim = 2 (per point 1) does not improve stability. I could not find evidence in the diff that the LAPACK failure is addressed. A "Closes #1" that does not resolve the core ask should at most be "Refs #1". Fix: demonstrate (with a run of the failing vrp-as-qubo case) that the LAPACK exception no longer occurs, or downgrade the link to Refs #1 and re-scope the PR.

  3. Redundant with code already merged on main. The single-variable feature this PR adds (_minimize_single_variable plus the length(sites) == 1 dispatch) is already implemented on main as _single_variable_minimize (merged via #49, "solve single-variable QUBO inputs exactly instead of crashing"), with the same length(sites) == 1 guard in _minimize. The test/qubo.jl "Single variable" testset added here is a weaker subset of the one already on main (main also asserts psi.energies, psi.bond_dims, and elapsed_times, and adds a linear+constant single-variable case). Merging this PR would introduce a duplicate near-identical function and a conflicting/weaker test. Fix: rebase onto current main, drop the now-redundant single-variable implementation and test, and keep only whatever is genuinely new (the VRP/mindim decision from point 1).

Nonblocking

  1. Stale Project.toml relative to main. This branch still declares version 0.1.0 with QUBODrivers 0.3 and ITensorMPS 0.3, while main is at 0.2.0 with QUBODrivers 0.6 (#53/#54). A rebase is required regardless; calling it out so the compat bounds are not accidentally reverted on merge.

  2. Minor style divergence from the merged equivalent. _minimize_single_variable uses min(values...) plus an winners filter and string(only(only(winners))), whereas main's _single_variable_minimize uses explicit e0/e1 comparison. If anything from this branch is kept, prefer matching the already-merged implementation to avoid two divergent code paths.

Questions

  1. What exactly fixes the LAPACK exception for the VRP case at mindim = 1? If you have a run of the vrp-as-qubo matrices from issue #1 that previously threw LAPACKException(12) and now succeeds, please link it; that is the evidence needed to justify "Closes #1".

Tests run and outcomes

I was unable to run any tests in this review environment: the sandbox denied creating a clean checkout (git clone/checkout/worktree/archive into /tmp were all blocked) and denied invoking julia at all, including a trivial julia -e 'println(VERSION)'. I therefore could not reproduce the PR author's reported Julia 1.10 runs, nor execute the VRP reproducer with mindim = 1 vs mindim = 2, which is the decisive test for points 1 and 2. The PR's own reported results were obtained in a temporary Julia 1.10 environment (not the documented julia +1.12 --project=. path) and could not be independently re-run here. All findings above are from static analysis of the diff, the head tree (via read-only git show), issue #1, and the current main tree.

Merge-readiness

Not ready. Blocking items 1–3 must be resolved: align code with the description (item 1), substantiate or relax the "Closes #1" claim with an actual LAPACK reproduction (item 2), and rebase onto current main to remove the duplicate single-variable implementation/test (item 3). Given how much of this PR is already on main, the cleanest path may be to re-scope it to only the VRP/mindim/LAPACK question, rebased on main. I would not merge this until the blocking issues above are addressed; the formal verdict must come from a maintainer other than the author.

Comment thread src/solver.jl
Integer or array of integer specifying the bond dimension per iteration.
You can use this keyword to control the solver's accuracy vs resources trade-off.
- `mindim` - The minimum allowed bond dimension, if possible.
- `mindim` - The minimum allowed bond dimension, if possible. Defaults to `1`.

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The description claims this PR raises the default mindim to 2, but the code keeps mindim = 1 and this docstring is edited to confirm "Defaults to 1". Code and description disagree (Blocking item 1). The VRP test below now relies on this default, which is the config issue #1 reports as failing.

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Addressed in eb53819. The PR metadata no longer says the default was raised, and the VRP test no longer relies on the mindim = 1 default.

Comment thread src/solver.jl Outdated
return _minimize(H, cte, a -> p(vs => a); cutoff, kwargs...)
end

function _minimize_single_variable(sites, obj, initial_time; device, verbosity, on_iteration, callback_every)

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This single-variable solver is already on main as _single_variable_minimize (merged in #49), with the same length(sites) == 1 dispatch. Merging this would add a duplicate near-identical function. Rebase on main and drop this (Blocking item 3). If anything is kept, match the merged implementation's explicit e0/e1 comparison rather than this min(values...)/ form (Nonblocking item 5).

@bernalde bernalde Jun 14, 2026

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Addressed in eb53819. The branch was brought current with main, and the duplicate solver code was dropped in favor of the existing _single_variable_minimize implementation.

Comment thread src/solver.jl
# Quantization
sites = ITensorMPS.siteinds(first, H; plev=0)
# ITensor DMRG does not support one-site systems, so solve the binary case exactly.
if length(sites) == 1

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This length(sites) == 1 guard already exists on main (#49). Redundant after rebase (Blocking item 3).

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Addressed in eb53819. The branch now uses the existing one-site guard from main; the redundant branch-local guard was removed by the merge resolution.

Comment thread test/cases/vrp.jl Outdated
Q, beta = vrp_6nodes()

E, psi = minimize(Q, beta; cutoff=1e-10, mindim = 2)
E, psi = minimize(Q, beta; cutoff=1e-10)

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Removing mindim = 2 makes this regression test run at mindim = 1, which is the configuration issue #1 reports as producing LAPACKException(12). Nothing in this PR raises the default to compensate (the description's claim is not in the diff). Either restore the workaround or actually change the default and justify it (Blocking items 1 and 2). I could not run this test here to confirm convergence — the sandbox blocked julia entirely.

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Addressed in eb53819. Restored mindim = 2 in test/cases/vrp.jl and kept #1 as a reference rather than a close target.

Comment thread test/qubo.jl
@test TenSolver.sample(psi) == [0, 1]
end

@testset "Single variable" begin

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main already has a "Single variable" testset (from #49) that is stronger than this one (it also asserts psi.energies, psi.bond_dims, elapsed_times, and adds a linear+constant case). This added testset is a weaker subset and will conflict on rebase (Blocking item 3).

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Addressed in eb53819. The branch now keeps the stronger single-variable testset already on main and drops the weaker duplicate test from this PR.

@bernalde bernalde changed the title Fix QUBO DMRG LAPACK stability Document DMRG mindim default Jun 14, 2026
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Review comments addressed in eb53819b4fb89d8397782a264302c882e98c75b1.

Commits pushed:

Main changes:

  • Kept main's _single_variable_minimize implementation and stronger single-variable tests, dropping this branch's duplicate implementation/test during the merge.
  • Restored the VRP mindim = 2 workaround instead of making the test rely on the default.
  • Updated the PR title/body from Closes #1 to Refs #1 and removed the unsupported claim that this branch raises the default mindim.
  • Left the effective diff against origin/main as the docstring clarification that mindim defaults to 1.

Tests run:

  • git diff --check origin/main...HEAD passed.
  • julia +1.12 --project=. -e 'using Pkg; Pkg.test()' passed, including VRP and doctests.

Comments intentionally not addressed:

  • None of the Blocking comments were declined.
  • I did not attempt to fix the upstream Anvil-specific LAPACK/KrylovKit behavior from LAPACKException on some QUBO examples #1 in this PR; the PR now references that issue instead of closing it.

Remaining risks or follow-up:

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