GRAFT: Biological Graph and Hypergraph Benchmarks for Linked Gene Expression and Phenotypic Trait Prediction in Arabidopsis thaliana
Authors: Manuel Serna-Aguilera, Vanshika Jindal, Fiona L. Goggin, Jiamei Li, Aranyak Goswami, Alexander Bucksch, Suxing Liu, Khoa Luu
Organizations: Department of Electrical Engineering and Computer Science, University of Arkansas, AR · CVIU Lab, University of Arkansas, AR · Department of Entomology and Plant Pathology, University of Arkansas, AR · Department of Animal Science, University of Arkansas, AR · School of Plant Sciences, University of Arizona, Tucson, AZ · Georgia State University, GA
Understanding which genes control which traits in an organism remains one of the central challenges in biology. Despite significant advances in data collection technology, our ability to map genes to traits is still limited. This genome-to-phenome (G2P) challenge spans several problem domains, including plant breeding, and requires methods capable of reasoning over high-dimensional, heterogeneous, and biologically structured data. Current datasets and data repositories, however, are not well-equipped for this task. Current studies do not link gene expression and trait data, and most focus on very specific traits, limiting the breadth of possible correlations. To address this gap, we present the novel Gene-Graph Regression for Arabidopsis Functional Traits (GRAFT) dataset, a curated multi-modal dataset linking gene expression profiles with phenotypic trait measurements in Arabidopsis thaliana, a model organism in plant biology. GRAFT supports tasks such as phenotype prediction and interpretable graph learning. In addition, we benchmark conventional regression and explanatory baselines, including a biologically-informed hypergraph baseline, to validate gene-trait associations. To the best of our knowledge, this is the first dataset to provide multimodal gene information and heterogeneous trait or phenotype data for the same Arabidopsis thaliana specimens. With GRAFT, we aim to foster research to accurately understand the relationship between genotypes and phenotypes using gene information, higher-order gene pairings, and trait data from multiple sources.
High-throughput plant phenotyping generates valuable data that often remains trapped in unstructured text and isolated RGB images. To bridge this semantic gap, we propose a framework for constructing a multimodal granular Knowledge Graph (KG) to monitor genotype-phenotype interactions across time and experiments. In this work, we focus on wheat Triticum aestivum as a representative target crop to validate our methodology across complex canopy environments. Our pipeline first distills noisy field notes to extract entities and relations, dynamically constructing the KG by converting unique instances into hierarchical class entities via RDF-typing. These graph nodes are then aligned with standardized ontologies (PO, RO, WTO) using PlantDeBERTa. To visually ground the constructed graph, a Vision-Language Model paired with a wheat-segmentation ViT generates attention-based softmaps, linking specific KG entities directly to image pixels. We introduce a central observation node Plant_Obs_Id to connect these multimodal subgraphs temporally. Evaluated on 500 curated WisWheat samples using Pointing Game accuracy, Visual Word Sense Disambiguation (VWSD), and rank-based metrics, our neuro-symbolic approach successfully maps complex field observations to a structured graph. This enables automated field note auditing, temporal stress monitoring, and precise spatial trait localization for wheat breeders.
Robust genotype-to-phenotype (G2P) prediction is essential for accelerating breeding decisions and genetic gain. However, it remains challenging to measure complex traits under variable field conditions and across years. In this study, we propose a linear-Transformer approach, LiT-G2P (Linear-Transformer Genotype-to-Phenotype), an automated predictive framework that integrates additive genetic variance effects with Transformer-based nonlinear interactions using genome-wide single-nucleotide polymorphisms (SNPs) data. We evaluated LiT-G2P on a panel of diverse grape accessions, genotyped with SNP markers and measured for phenotypes across two consecutive years. Target phenotypic traits include leaf hair density and trichome density of grapevines. Across both single-year and cross-year testing scenarios, LiT-G2P consistently improves prediction performance compared with baseline models. For hair density, LiT-G2P achieves the lowest error in both single-year and cross-year evaluations, with RMSEs of 0.469 and 0.454, respectively, while maintaining strong tolerance accuracies of 79.2% and 74.6%, respectively. For trichome density, LiT-G2P also presents the best overall G2P performance. In addition, we extract model-prioritized SNPs from attention weights and apply genotype-stratified analysis to provide interpretable candidate marker for downstream validation. These results demonstrate that integrating stable additive effects with learned interaction patterns can enhance cross-year robustness and support practical SNP-based predictive modeling for genomic selection.
Graph Neural Networks (GNNs) have become the dominant framework for inductive graph-level learning. Yet most benchmarks focus on the regime n≫p, where the number of graphs n greatly exceeds the number of nodes per graph p. This overlooks biological domains such as omics, which operate in the opposite n≪p regime, characterized by large graphs of genes, transcripts, or proteins across few patient samples. This raises the question: \textit{how do GNNs perform in this low-sample, high-node omics setting?} We introduce \texttt{OgBench} (Omics-Graph Bench), the first benchmarking platform for graph-level prediction in the n≪p regime characteristic of omics data. We provide a standardized, end-to-end modular infrastructure from raw omics data to families of featured graphs with varied structural properties. We benchmark classical GNNs, as well as GNNs designed for large graphs and omics applications, alongside MLPs and machine learning baselines to establish reference performances. Our results show that widely used GNNs often do not outperform simple MLPs and classical baselines. These findings challenge the prevailing assumption that graph structure inherently adds value in this domain, fostering a critical reassessment of current learning paradigms. Ultimately, by exposing these limitations, OgBench provides the open-source ecosystem necessary for the community to develop and validate novel architectures explicitly tailored for biological graphs. The code is available at https://github.com/geometric-intelligence/ogbench.
Louisa Cornelis, Johan Mathe, Louis Van Langendonck +2