Yuyan Yang

Yanxiao Hu, Ye Sheng, Jing Huang et al.

Using machine learning (ML) to construct interatomic interactions and thus potential energy surface (PES) has become a common strategy for materials design and simulations. However, those current models of machine learning interatomic potential (MLIP) provide no relevant physical constrains, and thus may owe intrinsic out-of-domain difficulty which underlies the challenges of model generalizability and physical scalability. Here, by incorporating physics-informed Universal-Scaling law and nonlinearity-embedded interaction function, we develop a Super-linear MLIP with both Ultra-Small parameterization and greatly expanded expressive capability, named SUS2-MLIP. Due to the global scaling rooting in universal equation of state (UEOS), SUS2-MLIP not only has significantly-reduced parameters by decoupling the element space from coordinate space, but also naturally outcomes the out-of-domain difficulty and endows the potentials with inherent generalizability and scalability even with relatively small training dataset. The nonlinearity-enbeding transformation for interaction function expands the expressive capability and make the potentials super-linear. The SUS2-MLIP outperforms the state-of-the-art MLIP models with its exceptional computational efficiency especially for multiple-element materials and physical scalability in property prediction. This work not only presents a highly-efficient universal MLIP model but also sheds light on incorporating physical constraints into artificial-intelligence-aided materials simulation.

Yingqiang Qiu, Qichao Ying, Yuyan Yang et al.

While the existing vacating room before encryption (VRBE) based schemes can achieve decent embedding rate, the payloads of the existing vacating room after encryption (VRAE) based schemes are relatively low. To address this issue, this paper proposes a generalized framework for high-capacity RDHEI for both VRBE and VRAE cases. First, an efficient embedding room generation algorithm (ERGA) is designed to produce large embedding room by using pixel prediction and entropy encoding. Then, we propose two RDHEI schemes, one for VRBE, another for VRAE. In the VRBE scenario, the image owner generates the embedding room with ERGA and encrypts the preprocessed image by using the stream cipher with two encryption keys. Then, the data hider locates the embedding room and embeds the encrypted additional data. In the VRAE scenario, the cover image is encrypted by an improved block modulation and permutation encryption algorithm, where the spatial redundancy in the plain-text image is largely preserved. Then, the data hider applies ERGA on the encrypted image to generate the embedding room and conducts data embedding. For both schemes, the receivers with different authentication keys can respectively conduct error-free data extraction and/or error-free image recovery. The experimental results show that the two proposed schemes outperform many state-of-the-art RDHEI arts. Besides, the schemes can ensure high security level, where the original image can be hardly discovered from the encrypted version before and after data hiding by the unauthorized user.