Pith Number

pith:TOLPNVFF

pith:2026:TOLPNVFFRPEXXSS7CUBJ4RZIUR

not attested not anchored not stored refs resolved

Lang2MLIP: End-to-End Language-to-Machine Learning Interatomic Potential Development with Autonomous Agentic Workflows

Nontawat Charoenphakdee, Wenwen Li, Yuki Orimo

A multi-agent LLM framework automates end-to-end development of machine learning interatomic potentials from natural language input.

arxiv:2605.14527 v1 · 2026-05-14 · cs.LG · cond-mat.mtrl-sci · physics.comp-ph

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\usepackage{pith}
\pithnumber{TOLPNVFFRPEXXSS7CUBJ4RZIUR}

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Record completeness

1 Bitcoin timestamp

2 Internet Archive

3 Author claim open · sign in to claim

4 Citations open

5 Replications open

✓ Portable graph bundle live · download bundle · merged state

The bundle contains the canonical record plus signed events. A mirror can host it anywhere and recompute the same current state with the deterministic merge algorithm.

Claims

C1strongest claim

LLM-based multi-agent systems are a promising direction for automating MLIP development and making it more accessible to non-experts.

C2weakest assumption

That LLM agents can reliably observe dataset/model/evaluation states and select corrective actions without predefined pipelines or domain-expert oversight, even when failures arise in heterogeneous materials systems.

C3one line summary

Lang2MLIP is an LLM multi-agent framework that automates end-to-end development of machine learning interatomic potentials from natural language input for heterogeneous materials systems.

References

134 extracted · 134 resolved · 6 Pith anchors

[1] Reviews of Modern Physics , volume= 1999

[2] Takamoto, S and Okanohara, D and Li, QJ and Li, J , title =. J. Materiomics , year =

[3] Tang, H and Xiao, B and He, WH and Subasic, P and Harutyunyan, AR and Wang, Y and Liu, F and Xu, HW and Li, J , title =. Nat. Comput. Sci. , year =

[4] Du, HR and Dong, YH and Li, QJ and Zhao, RR and Qi, XQ and Kan, WH and Suo, LM and Qie, L and Li, J and Huang, YH , title =. Adv. Mater. , year =

[5] Ceperley, DM and Alder, BJ , title =. Phys. Rev. Lett. , year =

Formal links

2 machine-checked theorem links

Receipt and verification

First computed	2026-05-17T23:39:05.990300Z
Builder	pith-number-builder-2026-05-17-v1
Signature	Pith Ed25519 (`pith-v1-2026-05`) · public key
Schema	pith-number/v1.0

Canonical hash

9b96f6d4a58bc97bca5f15029e4728a465b522d85f9647aa6df22274748958ed

Aliases

arxiv: 2605.14527 · arxiv_version: 2605.14527v1 · doi: 10.48550/arxiv.2605.14527 · pith_short_12: TOLPNVFFRPEX · pith_short_16: TOLPNVFFRPEXXSS7 · pith_short_8: TOLPNVFF

Agent API

Resolver JSON Graph JSON Events JSON Schema Signing key

Verify this Pith Number yourself

curl -sH 'Accept: application/ld+json' https://pith.science/pith/TOLPNVFFRPEXXSS7CUBJ4RZIUR \
  | 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())"
# expect: 9b96f6d4a58bc97bca5f15029e4728a465b522d85f9647aa6df22274748958ed

Canonical record JSON

{
  "metadata": {
    "abstract_canon_sha256": "8db44138aefa1cf29eacc210ad5818093126bb51449b62512b33ecba98496468",
    "cross_cats_sorted": [
      "cond-mat.mtrl-sci",
      "physics.comp-ph"
    ],
    "license": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
    "primary_cat": "cs.LG",
    "submitted_at": "2026-05-14T08:10:42Z",
    "title_canon_sha256": "bfc371d57d886f696392cd60f4d68f1a4fede965fe810ec34bb1637696fd0110"
  },
  "schema_version": "1.0",
  "source": {
    "id": "2605.14527",
    "kind": "arxiv",
    "version": 1
  }
}