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Creators/Authors contains: "Xiao, Chaowei"

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  5. Current AI-assisted protein design utilizes mainly protein sequential and structural information. Meanwhile, there exists tremendous knowledge curated by humans in text format describing proteins’ high-level functionalities, yet whether the incorporation of such text data can help in protein design tasks has not been explored. To bridge this gap, we propose ProteinDT, a multimodal framework that leverages textual descriptions for protein design. ProteinDT consists of three consecutive steps: ProteinCLAP, which aligns the representation of two modalities, a facilitator that generates the protein representation from the text modality and a decoder that creates the protein sequences from the representation. To train ProteinDT, we construct a large dataset, SwissProtCLAP, with 441,000 text and protein pairs. We quantitatively verify the effectiveness of ProteinDT on three challenging tasks: (1) over 90% accuracy for text-guided protein generation; (2) best hit ratio on 12 zero-shot text-guided protein editing tasks; (3) superior performance on four out of six protein property prediction benchmarks. 
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  10. Personalized Federated Learning (pFL) has emerged as a promising solution to tackle data heterogeneity across clients in FL. However, existing pFL methods either (1) introduce high computation and communication costs or (2) overfit to local data, which can be limited in scope and vulnerable to evolved test samples with natural distribution shifts. In this paper, we propose PERADA, a parameter-efficient pFL framework that reduces communication and computational costs and exhibits superior generalization performance, especially under test-time distribution shifts. PERADA reduces the costs by leveraging the power of pretrained models and only updates and communicates a small number of additional parameters from adapters. PERADA achieves high generalization by regularizing each client’s personalized adapter with a global adapter, while the global adapter uses knowledge distillation to aggregate generalized information from all clients. Theoretically, we provide generalization bounds of PERADA, and we prove its convergence to stationary points under non-convex settings. Empirically, PERADA demonstrates higher personalized performance (+4.85% on CheXpert) and enables better out-of-distribution generalization (+5.23% on CIFAR-10-C) on different datasets across natural and medical domains compared with baselines, while only updating 12.6% of parameters per model. Our code is available at https://github.com/NVlabs/PerAda. 
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