CRoF: CLIP-based Robust Few-shot Learning on Noisy Labels

Noisy labels threaten the robustness of few-shot learning (FSL) due to the inexact features in a new domain. CLIP, a large-scale vision-language model, performs well in FSL on image-text embedding similarities, but it is susceptible to misclassification caused by noisy labels. How to enhance domain generalization of CLIP on noisy data within FSL tasks is a critical challenge. In this paper, we provide a novel view to mitigate the influence of noisy labels, CLIP-based Robust Few-shot learning (CRoF). CRoF is a general plug-in module for CLIP-based models. To avoid misclassification and confused label embedding, we design the few-shot task-oriented prompt generator to give more discriminative descriptions of each category. The proposed prompt achieves larger distances of inter-class textual embedding. Furthermore, rather than fully trusting zero-shot classification by CLIP, we fine-tune CLIP on noisy few-shot data in a new domain with a weighting strategy like label-smooth. The weights for multiple potentially correct labels consider the relationship between CLIP's prior knowledge and original label information to ensure reliability. Our multiple label loss function further supports robust training under this paradigm. Comprehensive experiments show that CRoF, as a plug-in, outperforms fine-tuned and vanilla CLIP models on different noise types and noise ratios.

Structural Constraint Integration in Generative Model for Discovery of Quantum Material Candidates

Billions of organic molecules are known, but only a tiny fraction of the functional inorganic materials have been discovered, a particularly relevant problem to the community searching for new quantum materials. Recent advancements in machine-learning-based generative models, particularly diffusion models, show great promise for generating new, stable materials. However, integrating geometric patterns into materials generation remains a challenge. Here, we introduce Structural Constraint Integration in the GENerative model (SCIGEN). Our approach can modify any trained generative diffusion model by strategic masking of the denoised structure with a diffused constrained structure prior to each diffusion step to steer the generation toward constrained outputs. Furthermore, we mathematically prove that SCIGEN effectively performs conditional sampling from the original distribution, which is crucial for generating stable constrained materials. We generate eight million compounds using Archimedean lattices as prototype constraints, with over 10% surviving a multi-staged stability pre-screening. High-throughput density functional theory (DFT) on 26,000 survived compounds shows that over 50% passed structural optimization at the DFT level. Since the properties of quantum materials are closely related to geometric patterns, our results indicate that SCIGEN provides a general framework for generating quantum materials candidates.