用稀疏自编码器从模型内部发现未知科学规律
Towards Open-Ended Visual Scientific Discovery with Sparse Autoencoders
- 用稀疏自编码器解析大模型表征,自动挖掘潜在特征
- 在生态图像中无监督发现精细解剖结构,准确率超基线
- 方法可推广至基因组、蛋白等多领域,支持开放探索
科学档案如今包含数百拍字节的基因组、生态、气候和分子生物学数据,若能系统化分析,可能揭示未被发现的模式。语言与视觉领域的大型弱监督数据集推动了基础模型的发展,其内部表征编码了超出训练目标的结构(如模式、共现关系与统计规律)。现有方法仅针对预设目标提取结构,擅长验证但难支持未知模式的开放发现。本文探讨稀疏自编码器(SAEs)能否实现基础模型表征中的开放特征发现。通过受控重现研究,在标准分割基准上测试学习到的SAE特征与语义概念的对齐程度,并与强标签无关方法在概念对齐指标上对比。应用于生态图像时,无需分割或部位标签即可发现细粒度解剖结构,提供具备真实标注验证的科学案例。尽管实验聚焦视觉与生态案例,该方法具有领域无关性,适用于其他科学领域的模型(如蛋白质、基因组、天气)。结果表明,稀疏分解为探索基础模型所学知识提供了实用工具,是实现从确认转向真正发现的重要前提。
原文摘要 · Abstract (English)
Scientific archives now contain hundreds of petabytes of data across genomics, ecology, climate, and molecular biology that could reveal undiscovered patterns if systematically analyzed at scale. Large-scale, weakly-supervised datasets in language and vision have driven the development of foundation models whose internal representations encode structure (patterns, co-occurrences and statistical regularities) beyond their training objectives. Most existing methods extract structure only for pre-specified targets; they excel at confirmation but do not support open-ended discovery of unknown patterns. We ask whether sparse autoencoders (SAEs) can enable open-ended feature discovery from foundation model representations. We evaluate this question in controlled rediscovery studies, where the learned SAE features are tested for alignment with semantic concepts on a standard segmentation benchmark and compared against strong label-free alternatives on concept-alignment metrics. Applied to ecological imagery, the same procedure surfaces fine-grained anatomical structure without access to segmentation or part labels, providing a scientific case study with ground-truth validation. While our experiments focus on vision with an ecology case study, the method is domain-agnostic and applicable to models in other sciences (e.g., proteins, genomics, weather). Our results indicate that sparse decomposition provides a practical instrument for exploring what scientific foundation models have learned, an important prerequisite for moving from confirmation to genuine discovery.
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