Huazhen Huang

Limai Jiang, Ruitao Xie, Bokai Yang et al.

Medical image segmentation plays a vital role in clinical decision-making, enabling precise localization of lesions and guiding interventions. Despite significant advances in segmentation accuracy, the black-box nature of most deep models has raised growing concerns about their trustworthiness in high-stakes medical scenarios. Current explanation techniques have primarily focused on classification tasks, leaving the segmentation domain relatively underexplored. We introduced an explanation model for segmentation task which employs the causal inference framework and backpropagates the average treatment effect (ATE) into a quantification metric to determine the influence of input regions, as well as network components, on target segmentation areas. Through comparison with recent segmentation explainability techniques on two representative medical imaging datasets, we demonstrated that our approach provides more faithful explanations than existing approaches. Furthermore, we carried out a systematic causal analysis of multiple foundational segmentation models using our method, which reveals significant heterogeneity in perceptual strategies across different models, and even between different inputs for the same model. Suggesting the potential of our method to provide notable insights for optimizing segmentation models. Our code can be found at https://github.com/lcmmai/PdCR.

Fan Hu, Dongqi Wang, Huazhen Huang et al.

Drug discovery is vitally important for protecting human against disease. Target-based screening is one of the most popular methods to develop new drugs in the past several decades. This method efficiently screens candidate drugs inhibiting target protein in vitro, but it often fails due to inadequate activity of the selected drugs in vivo. Accurate computational methods are needed to bridge this gap. Here, we propose a novel graph multi task deep learning model to identify compounds carrying both target inhibitory and cell active (MATIC) properties. On a carefully curated SARS-CoV-2 dataset, the proposed MATIC model shows advantages comparing with traditional method in screening effective compounds in vivo. Next, we explored the model interpretability and found that the learned features for target inhibition (in vitro) or cell active (in vivo) tasks are different with molecular property correlations and atom functional attentions. Based on these findings, we utilized a monte carlo based reinforcement learning generative model to generate novel multi-property compounds with both in vitro and in vivo efficacy, thus bridging the gap between target-based and cell-based drug discovery.

Hongyang Lei, Xiaolong Cheng, Qi Qin et al.

Current multimodal learning strategies primarily optimize in the original token space. Such a framework is easy to incorporate with the backbone of pretrained language model, but might result in modality collapse. To alleviate such issues, we leverage the Joint-Embedding Predictive Architecture (JEPA) on the multimodal tasks, which converts the input embedding into the output embedding space by a predictor and then conducts the cross-modal alignment on the latent space. We implement this predictor by a Multi-Gate Mixture of Experts (MMoE) and name the framework as M3-JEPA, accordingly. The gating function disentangles the modality-specific and shared information and derives information-theoretic optimality. The framework is implemented with both contrastive and regularization loss, and solved by alternative gradient descent (AGD) between different multimodal tasks. By thoroughly designed experiments, we show that M3-JEPA can obtain state-of-the-art performance on different modalities and tasks, generalize to unseen datasets and domains, and is computationally efficient in both training and inference. Our observation suggests that M3-JEPA might become a new basis to self-supervised learning in the open world.