pith:IJWCJCPD
PaMM: Periodic Motif Memory for Atomistic Models with an Explicit Local-Structure Interface
Explicit pair and triplet motif lookup tables improve energy and force accuracy in periodic atomistic models at intermediate training steps.
arxiv:2605.13297 v1 · 2026-05-13 · cs.LG
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Claims
in the studied UMA-S + OMAT regime, explicit pair/triplet motif memory is a useful inductive bias for periodic atomistic modeling.
That the observed gains at the 10k- and 20k-step checkpoints are driven by the structured motif organization rather than incidental capacity or optimization effects, and that the same pattern would persist at full convergence or on other datasets.
PaMM augments an equivariant atomistic model with explicit pair and triplet motif memory tables, producing modest gains in energy and force MAE on OMAT benchmarks at fixed training budget.
References
Receipt and verification
| First computed | 2026-05-18T02:44:49.072971Z |
|---|---|
| Builder | pith-number-builder-2026-05-17-v1 |
| Signature | Pith Ed25519
(pith-v1-2026-05) · public key |
| Schema | pith-number/v1.0 |
Canonical hash
426c2489e30cca81edb5db4ccf9e13358f1eda4575934fee9a4db9059e2d1c81
Aliases
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Verify this Pith Number yourself
curl -sH 'Accept: application/ld+json' https://pith.science/pith/IJWCJCPDBTFID3NV3NGM7HQTGW \
| jq -c '.canonical_record' \
| python3 -c "import sys,json,hashlib; b=json.dumps(json.loads(sys.stdin.read()), sort_keys=True, separators=(',',':'), ensure_ascii=False).encode(); print(hashlib.sha256(b).hexdigest())"
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Canonical record JSON
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