Wei Wan

Minghui Li, Yuanhang Wang, Peijin Guo et al.

Accurate prediction of Drug-Target Affinity (DTA) is crucial for reducing experimental costs and accelerating early screening in computational drug discovery. While sequence-based deep learning methods avoid reliance on costly 3D structures, they still overlook simultaneous modeling of global sequence semantic features and local topological structural features within drugs and proteins, and represent drugs as flat sequences without atomic-level, substructural-level, and molecular-level multi-scale features. We propose HiF-DTA, a hierarchical network that adopts a dual-pathway strategy to extract both global sequence semantic and local topological features from drug and protein sequences, and models drugs multi-scale to learn atomic, substructural, and molecular representations fused via a multi-scale bilinear attention module. Experiments on Davis, KIBA, and Metz datasets show HiF-DTA outperforms state-of-the-art baselines, with ablations confirming the importance of global-local extraction and multi-scale fusion.

Junyu Shi, Minghui Li, Junguo Zuo et al.

Deepfakes, leveraging advanced AIGC (Artificial Intelligence-Generated Content) techniques, create hyper-realistic synthetic images and videos of human faces, posing a significant threat to the authenticity of social media. While this real-world threat is increasingly prevalent, existing academic evaluations and benchmarks for detecting deepfake forgery often fall short to achieve effective application for their lack of specificity, limited deepfake diversity, restricted manipulation techniques.To address these limitations, we introduce RedFace (Real-world-oriented Deepfake Face), a specialized facial deepfake dataset, comprising over 60,000 forged images and 1,000 manipulated videos derived from authentic facial features, to bridge the gap between academic evaluations and real-world necessity. Unlike prior benchmarks, which typically rely on academic methods to generate deepfakes, RedFace utilizes 9 commercial online platforms to integrate the latest deepfake technologies found "in the wild", effectively simulating real-world black-box scenarios.Moreover, RedFace's deepfakes are synthesized using bespoke algorithms, allowing it to capture diverse and evolving methods used by real-world deepfake creators. Extensive experimental results on RedFace (including cross-domain, intra-domain, and real-world social network dissemination simulations) verify the limited practicality of existing deepfake detection schemes against real-world applications. We further perform a detailed analysis of the RedFace dataset, elucidating the reason of its impact on detection performance compared to conventional datasets. Our dataset is available at: https://github.com/kikyou-220/RedFace.

Minghui Li, Zikang Guo, Yang Wu et al.

Drug-target interaction is fundamental in understanding how drugs affect biological systems, and accurately predicting drug-target affinity (DTA) is vital for drug discovery. Recently, deep learning methods have emerged as a significant approach for estimating the binding strength between drugs and target proteins. However, existing methods simply utilize the drug's local information from molecular topology rather than global information. Additionally, the features of drugs and proteins are usually fused with a simple concatenation operation, limiting their effectiveness. To address these challenges, we proposed ViDTA, an enhanced DTA prediction framework. We introduce virtual nodes into the Graph Neural Network (GNN)-based drug feature extraction network, which acts as a global memory to exchange messages more efficiently. By incorporating virtual graph nodes, we seamlessly integrate local and global features of drug molecular structures, expanding the GNN's receptive field. Additionally, we propose an attention-based linear feature fusion network for better capturing the interaction information between drugs and proteins. Experimental results evaluated on various benchmarks including Davis, Metz, and KIBA demonstrate that our proposed ViDTA outperforms the state-of-the-art baselines.

Wei Wan, Jun Liu

We consider the inpainting problem for noisy images. It is very challenge to suppress noise when image inpainting is processed. An image patches based nonlocal variational method is proposed to simultaneously inpainting and denoising in this paper. Our approach is developed on an assumption that the small image patches should be obeyed a distribution which can be described by a high dimension Gaussian Mixture Model. By a maximum a posteriori (MAP) estimation, we formulate a new regularization term according to the log-likelihood function of the mixture model. To optimize this regularization term efficiently, we adopt the idea of the Expectation Maximum (EM) algorithm. In which, the expectation step can give an adaptive weighting function which can be regarded as a nonlocal connections among pixels. Using this fact, we built a framework for non-local image inpainting under noise. Moreover, we mathematically prove the existence of minimizer for the proposed inpainting model. By using a spitting algorithm, the proposed model are able to realize image inpainting and denoising simultaneously. Numerical results show that the proposed method can produce impressive reconstructed results when the inpainting region is rather large.