LGMay 26, 2022
Triangular Contrastive Learning on Molecular GraphsMinGyu Choi, Wonseok Shin, Yijingxiu Lu et al. · amazon-science
Recent contrastive learning methods have shown to be effective in various tasks, learning generalizable representations invariant to data augmentation thereby leading to state of the art performances. Regarding the multifaceted nature of large unlabeled data used in self-supervised learning while majority of real-word downstream tasks use single format of data, a multimodal framework that can train single modality to learn diverse perspectives from other modalities is an important challenge. In this paper, we propose TriCL (Triangular Contrastive Learning), a universal framework for trimodal contrastive learning. TriCL takes advantage of Triangular Area Loss, a novel intermodal contrastive loss that learns the angular geometry of the embedding space through simultaneously contrasting the area of positive and negative triplets. Systematic observation on embedding space in terms of alignment and uniformity showed that Triangular Area Loss can address the line-collapsing problem by discriminating modalities by angle. Our experimental results also demonstrate the outperformance of TriCL on downstream task of molecular property prediction which implies that the advantages of the embedding space indeed benefits the performance on downstream tasks.
46.3CVApr 29
Sparsity as a Key: Unlocking New Insights from Latent Structures for Out-of-Distribution DetectionAhyoung Oh, Wonseok Shin, Songkuk Kim
Sparse Autoencoders (SAEs) have demonstrated significant success in interpreting Large Language Models (LLMs) by decomposing dense representations into sparse, semantic components. However, their potential for analyzing Vision Transformers (ViTs) remains largely under-explored. In this work, we present the first application of SAEs to the ViT [CLS] token for out-of-distribution (OOD) detection, addressing the limitation of existing methods that rely on entangled feature representations. We propose a novel framework utilizing a Top-k SAE to disentangle the dense [CLS] features into a structured latent space. Through this analysis, we reveal that in-distribution (ID) data exhibits consistent, class-specific activation patterns, which we formalize as Class Activation Profiles (CAPs). Our study uncovers a key structural invariant: while ID samples preserve a stable pattern within CAPs, OOD samples systematically disrupt this structure. Leveraging this insight, we introduce a scoring function based on the divergence of core energy profiles to quantify the deviation from ideal activation profiles. Our method achieves strong results on the FPR95 metric, critical for safety-sensitive applications across multiple benchmarks, while also achieving competitive AUROC. Overall, our findings demonstrate that the sparse, disentangled features revealed by SAEs can serve as a powerful, interpretable tool for robust OOD detection in vision models.