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Guohong Wang

Publications and source records attributed to Guohong Wang.

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Data-driven active learning approaches for accelerating materials discovery

Materials discovery is a cornerstone of modern technological advancement, yet it remains constrained by traditional trial-and-error paradigms and the inherent bias of human intuition. Artificial intelligence (AI) has emerged as a transformative tool in materials science by effectively modeling structure-property relationships. Despite substantial efforts to enhance model expressiveness, data efficiency remains an equally critical challenge, given the limited availability of experimental and computational resources. Active learning (AL), as a data-driven machine learning paradigm, has shown great promise for discovering novel materials and enabling the efficient navigation of vast materials spaces. In this review, we follow the evolution of sampling strategy design techniques in AL, from Bayesian optimization to advanced deep learning-based strategies. We then highlight how AL enhances data efficiency across various data regimes, ranging from task-specific settings with limited data to the development of general-purpose datasets and large-scale models. We further provide a systematic overview of AL applications throughout the materials research pipeline, including computational simulation, composition and structural design, process optimization, and self-driving laboratory systems. Finally, we pinpoint key challenges and future perspectives of AL in materials discovery.

cond-mat.mtrl-sci

One-to-Multiple Clean-Label Image Camouflage (OmClic) based Backdoor Attack on Deep Learning

Image camouflage has been utilized to create clean-label poisoned images for implanting backdoor into a DL model. But there exists a crucial limitation that one attack/poisoned image can only fit a single input size of the DL model, which greatly increases its attack budget when attacking multiple commonly adopted input sizes of DL models. This work proposes to constructively craft an attack image through camouflaging but can fit multiple DL models' input sizes simultaneously, namely OmClic. Thus, through OmClic, we are able to always implant a backdoor regardless of which common input size is chosen by the user to train the DL model given the same attack budget (i.e., a fraction of the poisoning rate). With our camouflaging algorithm formulated as a multi-objective optimization, M=5 input sizes can be concurrently targeted with one attack image, which artifact is retained to be almost visually imperceptible at the same time. Extensive evaluations validate the proposed OmClic can reliably succeed in various settings using diverse types of images. Further experiments on OmClic based backdoor insertion to DL models show that high backdoor performances (i.e., attack success rate and clean data accuracy) are achievable no matter which common input size is randomly chosen by the user to train the model. So that the OmClic based backdoor attack budget is reduced by M$\times$ compared to the state-of-the-art camouflage based backdoor attack as a baseline. Significantly, the same set of OmClic based poisonous attack images is transferable to different model architectures for backdoor implant.

cs.CR

SEDML: Securely and Efficiently Harnessing Distributed Knowledge in Machine Learning

Training high-performing deep learning models require a rich amount of data which is usually distributed among multiple data sources in practice. Simply centralizing these multi-sourced data for training would raise critical security and privacy concerns, and might be prohibited given the increasingly strict data regulations. To resolve the tension between privacy and data utilization in distributed learning, a machine learning framework called private aggregation of teacher ensembles(PATE) has been recently proposed. PATE harnesses the knowledge (label predictions for an unlabeled dataset) from distributed teacher models to train a student model, obviating access to distributed datasets. Despite being enticing, PATE does not offer protection for the individual label predictions from teacher models, which still entails privacy risks. In this paper, we propose SEDML, a new protocol which allows to securely and efficiently harness the distributed knowledge in machine learning. SEDML builds on lightweight cryptography and provides strong protection for the individual label predictions, as well as differential privacy guarantees on the aggregation results. Extensive evaluations show that while providing privacy protection, SEDML preserves the accuracy as in the plaintext baseline. Meanwhile, SEDML's performance in computing and communication is 43 times and 1.23 times higher than the latest technology, respectively.

cs.CR