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Review Sep 2026

SciFigure2Code: An AI-Reconstructed Benchmark for Scientific Figure-to-Code

Scientific figures are the interface through which research claims are inspected and reused, but final published panels rarely expose the data or plotting code that produced them. Recovering this hidden provenance from pixels is therefore underdetermined. We introduce SciFigure2Code, an AI-reconstructed benchmark that instead evaluates presentation recovery: generating editable Python programs that preserve how a scientific panel is arranged and read. Role-specialized Codex agents generate, execute, visually refine, and audit silver-standard presentation programs that capture geometry, visual hierarchy, encodings, annotations, and typography without claiming to recover original measurements or author source code. This reconstruction-and-audit protocol turns final published panels into auditable reference packages; the resulting resource contains 6,740 reviewed panels and SciFigureBench, a balanced 337-panel test set across 31 chart subtypes, five domains, and three complexity levels. Across 14 zero-shot models in image-only and caption-assisted settings, execution, multi-component layouts, axes, legends, and scientific labels remain weak. Claude Opus 4.7 achieves the highest image-only Overall score, Claude Opus 4.6 leads caption-assisted reconstruction, and two-stage plan-then-code prompting improves Overall for all four tested models. SciFigure2Code provides an auditable testbed for agents that construct editable, visually faithful scientific figure presentations.

Wen-Tao Li, Yi-Bo Wu, Yi-Zhe Chen et al. · 0 citations
#artificial intelligence Preprint Aug 2026

Learning Materials Properties from Scarce Labels and Unlabeled Crystals

Learning materials properties from scarce labels and unlabeled crystals is a central challenge for data-driven materials discovery. We present SemiMat, a controlled benchmark for semi-supervised materials property regression, and MatRank, a reliability-weighted objective for continuous pseudo-label uncertainty. SemiMat fixes labeled and unlabeled crystal inputs, graph-backbone interfaces, validation-only checkpoint selection, held-out test reporting, normalized MAE (NMAE), and method-rank summaries across six scarce-label tasks, four graph backbones, and five predefined split runs. MatRank builds pseudo-targets from labeled anchors, weights them by local reliability and weak-prediction agreement, trains weak and strong graph views consistently, and adds ranking signals so that unlabeled crystals shape both values and candidate order. Across the retained 24 backbone-task blocks, one fixed MatRank objective gives the lowest aggregate held-out test NMAE (0.896) and best average method rank (2.208). The component, OOD, and generated-pool diagnostics identify where the gain is reliable and where further screening evaluation remains necessary. Code is available at https://github.com/littlepeachs/SemiMat.

Wen-Tao Li, Yi-Zhe Chen, Jiang-Jie Qiu et al. · 0 citations
#artificial intelligence Preprint Aug 2026

CoMPASS: Collaborative Molecular Property Prediction via Adaptive Small-Large Model Synergy

CoMPASS is presented, a retrieval-calibrated framework for small-large model collaboration that retains a graph attention network as the predictive anchor, retrieves locally relevant training molecules, provides attention-grounded evidence to an LLM, and converts its proposal into a bounded correction through an agreement-aware gate.

Wen-Tao Li, Jiang-Jie Qiu, Yi-Jun Li et al. · 0 citations

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