Evidence map›Paper›PMID 42027065›Full record

ReviewScience progress

Representation learning of crystal materials using Graph Neural Networks: Passive symmetry challenges and advances.

Jie Cui, Chenglei Han, Jiyao Liang, Lin Li, Fei Wang

Abstract readReview
In one paragraph

Review in Science progress. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

5 authors.

Jie CuiSchool of Electronic Science and Engineering, Xiamen University, Xiamen, China.ORCID 0009-0002-4201-9845
Chenglei HanSchool of Integrated Circuits, Shandong University, Jinan, China.
Jiyao LiangSchool of Integrated Circuits, Shandong University, Jinan, China.
Lin LiSchool of Electronic Science and Engineering, Xiamen University, Xiamen, China.
Fei WangSchool of Integrated Circuits, Shandong University, Jinan, China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Crystal structures are naturally represented as graphs, making Graph Neural Networks (GNNs) a powerful tool for capturing complex atomic interactions and geometric relationships. This review summarizes recent advances in GNNs-based representation learning for crystal materials, with a specific focus on addressing the critical challenge of passive symmetry. We critically analyze existing frameworks by classifying them into asymmetric and symmetric paradigms, evaluating how they address periodic invariance and geometric completeness through graph construction and architectural design. We also compile key datasets and benchmarks to provide a systematic performance comparison of representative models. Finally, we discuss unresolved challenges, including the trade-off between architectural rigor and computational efficiency, modeling complex non-ideal systems, and predicting high-order tensorial properties, highlighting promising directions for future research.

Indexed as

computational materials sciencecrystal material representation learningdeep learningGraph neural networkspassive symmetry in crystals

Identifiers

PMID42027065
PMCPMC13125831

What OpenQuestion holds

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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.