Hao Li

Lin Zongying, Li Hao, Lv Liuzhenghao et al.

Designing protein sequences with specific biological functions and structural stability is crucial in biology and chemistry. Generative models already demonstrated their capabilities for reliable protein design. However, previous models are limited to the unconditional generation of protein sequences and lack the controllable generation ability that is vital to biological tasks. In this work, we propose TaxDiff, a taxonomic-guided diffusion model for controllable protein sequence generation that combines biological species information with the generative capabilities of diffusion models to generate structurally stable proteins within the sequence space. Specifically, taxonomic control information is inserted into each layer of the transformer block to achieve fine-grained control. The combination of global and local attention ensures the sequence consistency and structural foldability of taxonomic-specific proteins. Extensive experiments demonstrate that TaxDiff can consistently achieve better performance on multiple protein sequence generation benchmarks in both taxonomic-guided controllable generation and unconditional generation. Remarkably, the sequences generated by TaxDiff even surpass those produced by direct-structure-generation models in terms of confidence based on predicted structures and require only a quarter of the time of models based on the diffusion model. The code for generating proteins and training new versions of TaxDiff is available at:https://github.com/Linzy19/TaxDiff.

Hao Li, Dewei Hu, Qibang Zhu et al.

Magnetic resonance images (MRIs) are widely used to quantify vestibular schwannoma and the cochlea. Recently, deep learning methods have shown state-of-the-art performance for segmenting these structures. However, training segmentation models may require manual labels in target domain, which is expensive and time-consuming. To overcome this problem, domain adaptation is an effective way to leverage information from source domain to obtain accurate segmentations without requiring manual labels in target domain. In this paper, we propose an unsupervised learning framework to segment the VS and cochlea. Our framework leverages information from contrast-enhanced T1-weighted (ceT1-w) MRIs and its labels, and produces segmentations for T2-weighted MRIs without any labels in the target domain. We first applied a generator to achieve image-to-image translation. Next, we ensemble outputs from an ensemble of different models to obtain final segmentations. To cope with MRIs from different sites/scanners, we applied various 'online' augmentations during training to better capture the geometric variability and the variability in image appearance and quality. Our method is easy to build and produces promising segmentations, with a mean Dice score of 0.7930 and 0.7432 for VS and cochlea respectively in the validation set.

Baichuan Yuan, Hao Li, Andrea L. Bertozzi et al.

There is often latent network structure in spatial and temporal data and the tools of network analysis can yield fascinating insights into such data. In this paper, we develop a nonparametric method for network reconstruction from spatiotemporal data sets using multivariate Hawkes processes. In contrast to prior work on network reconstruction with point-process models, which has often focused on exclusively temporal information, our approach uses both temporal and spatial information and does not assume a specific parametric form of network dynamics. This leads to an effective way of recovering an underlying network. We illustrate our approach using both synthetic networks and networks constructed from real-world data sets (a location-based social media network, a narrative of crime events, and violent gang crimes). Our results demonstrate that, in comparison to using only temporal data, our spatiotemporal approach yields improved network reconstruction, providing a basis for meaningful subsequent analysis --- such as community structure and motif analysis --- of the reconstructed networks.