PhenoProfiler可端到端高效提取细胞形态特征,助力药物发现
PhenoProfiler: Advancing Phenotypic Learning for Image-based Drug Discovery
- 端到端处理全切片多通道图像,直接生成低维定量表征
- 在超23万张图像上表现优于现有方法最高20%,准确率与鲁棒性提升显著
- 适合生物医学影像分析、药物筛选等场景,尤其关注治疗引起的形态变化
在基于图像的药物发现领域,捕捉细胞对药物处理和扰动的表型响应至关重要。然而,现有方法需复杂的多步计算流程,导致效率低下、泛化能力受限且易引入误差。为此,我们提出PhenoProfiler,一种创新模型,可高效、精准地提取形态表征,揭示治疗引发的表型变化。PhenoProfiler作为端到端工具,直接处理全切片多通道图像,输出低维定量表示,无需繁琐中间步骤。其包含多目标学习模块,提升形态表征学习的鲁棒性、准确性和泛化能力。该模型在大规模公开数据集上严格评估,涵盖超过23万张全切片多通道图像的端到端场景,以及超过842万张单细胞图像的非端到端设置。在各类基准测试中,PhenoProfiler性能较当前最优方法提升高达20%,显著增强准确率与鲁棒性。此外,采用定制化的表型校正策略,突出治疗下的相对表型变化,有助于识别生物学有意义信号。UMAP可视化显示,不同治疗组的表型分布能有效聚类,与生物学注释一致,提升可解释性。这些结果表明,PhenoProfiler是一种可扩展、通用且鲁棒的表型学习工具。
原文摘要 · Abstract (English)
In the field of image-based drug discovery, capturing the phenotypic response of cells to various drug treatments and perturbations is a crucial step. However, existing methods require computationally extensive and complex multi-step procedures, which can introduce inefficiencies, limit generalizability, and increase potential errors. To address these challenges, we present PhenoProfiler, an innovative model designed to efficiently and effectively extract morphological representations, enabling the elucidation of phenotypic changes induced by treatments. PhenoProfiler is designed as an end-to-end tool that processes whole-slide multi-channel images directly into low-dimensional quantitative representations, eliminating the extensive computational steps required by existing methods. It also includes a multi-objective learning module to enhance robustness, accuracy, and generalization in morphological representation learning. PhenoProfiler is rigorously evaluated on large-scale publicly available datasets, including over 230,000 whole-slide multi-channel images in end-to-end scenarios and more than 8.42 million single-cell images in non-end-to-end settings. Across these benchmarks, PhenoProfiler consistently outperforms state-of-the-art methods by up to 20%, demonstrating substantial improvements in both accuracy and robustness. Furthermore, PhenoProfiler uses a tailored phenotype correction strategy to emphasize relative phenotypic changes under treatments, facilitating the detection of biologically meaningful signals. UMAP visualizations of treatment profiles demonstrate PhenoProfiler ability to effectively cluster treatments with similar biological annotations, thereby enhancing interpretability. These findings establish PhenoProfiler as a scalable, generalizable, and robust tool for phenotypic learning.
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