Huimin Zhang

Hanxuan Cai, Huimin Zhang, Duancheng Zhao et al.

Deep learning is an important method for molecular design and exhibits considerable ability to predict molecular properties, including physicochemical, bioactive, and ADME/T (absorption, distribution, metabolism, excretion, and toxicity) properties. In this study, we advanced a novel deep learning architecture, termed FP-GNN, which combined and simultaneously learned information from molecular graphs and fingerprints. To evaluate the FP-GNN model, we conducted experiments on 13 public datasets, an unbiased LIT-PCBA dataset, and 14 phenotypic screening datasets for breast cell lines. Extensive evaluation results showed that compared to advanced deep learning and conventional machine learning algorithms, the FP-GNN algorithm achieved state-of-the-art performance on these datasets. In addition, we analyzed the influence of different molecular fingerprints, and the effects of molecular graphs and molecular fingerprints on the performance of the FP-GNN model. Analysis of the anti-noise ability and interpretation ability also indicated that FP-GNN was competitive in real-world situations.

Heyuan Li, Huimin Zhang, Yuda Qiu et al.

Conditioning is crucial for stable training of full-head 3D GANs. Without any conditioning signal, the model suffers from severe mode collapse, making it impractical to training. However, a series of previous full-head 3D GANs conventionally choose the view angle as the conditioning input, which leads to a bias in the learned 3D full-head space along the conditional view direction. This is evident in the significant differences in generation quality and diversity between the conditional view and non-conditional views of the generated 3D heads, resulting in global incoherence across different head regions. In this work, we propose to use view-invariant semantic feature as the conditioning input, thereby decoupling the generative capability of 3D heads from the viewing direction. To construct a view-invariant semantic condition for each training image, we create a novel synthesized head image dataset. We leverage FLUX.1 Kontext to extend existing high-quality frontal face datasets to a wide range of view angles. The image clip feature extracted from the frontal view is then used as a shared semantic condition across all views in the extended images, ensuring semantic alignment while eliminating directional bias. This also allows supervision from different views of the same subject to be consolidated under a shared semantic condition, which accelerates training and enhances the global coherence of the generated 3D heads. Moreover, as GANs often experience slower improvements in diversity once the generator learns a few modes that successfully fool the discriminator, our semantic conditioning encourages the generator to follow the true semantic distribution, thereby promoting continuous learning and diverse generation. Extensive experiments on full-head synthesis and single-view GAN inversion demonstrate that our method achieves significantly higher fidelity, diversity, and generalizability.

Zheqian Chen, Ben Gao, Huimin Zhang et al.

Community based question answering services have arisen as a popular knowledge sharing pattern for netizens. With abundant interactions among users, individuals are capable of obtaining satisfactory information. However, it is not effective for users to attain answers within minutes. Users have to check the progress over time until the satisfying answers submitted. We address this problem as a user personalized satisfaction prediction task. Existing methods usually exploit manual feature selection. It is not desirable as it requires careful design and is labor intensive. In this paper, we settle this issue by developing a new multiple instance deep learning framework. Specifically, in our settings, each question follows a weakly supervised learning multiple instance learning assumption, where its obtained answers can be regarded as instance sets and we define the question resolved with at least one satisfactory answer. We thus design an efficient framework exploiting multiple instance learning property with deep learning to model the question answer pairs. Extensive experiments on large scale datasets from Stack Exchange demonstrate the feasibility of our proposed framework in predicting askers personalized satisfaction. Our framework can be extended to numerous applications such as UI satisfaction Prediction, multi armed bandit problem, expert finding and so on.