Xuanming Hu

Wangyang Ying, Dongjie Wang, Xuanming Hu et al.

Biomarker discovery is vital in advancing personalized medicine, offering insights into disease diagnosis, prognosis, and therapeutic efficacy. Traditionally, the identification and validation of biomarkers heavily depend on extensive experiments and statistical analyses. These approaches are time-consuming, demand extensive domain expertise, and are constrained by the complexity of biological systems. These limitations motivate us to ask: Can we automatically identify the effective biomarker subset without substantial human efforts? Inspired by the success of generative AI, we think that the intricate knowledge of biomarker identification can be compressed into a continuous embedding space, thus enhancing the search for better biomarkers. Thus, we propose a new biomarker identification framework with two important modules:1) training data preparation and 2) embedding-optimization-generation. The first module uses a multi-agent system to automatically collect pairs of biomarker subsets and their corresponding prediction accuracy as training data. These data establish a strong knowledge base for biomarker identification. The second module employs an encoder-evaluator-decoder learning paradigm to compress the knowledge of the collected data into a continuous space. Then, it utilizes gradient-based search techniques and autoregressive-based reconstruction to efficiently identify the optimal subset of biomarkers. Finally, we conduct extensive experiments on three real-world datasets to show the efficiency, robustness, and effectiveness of our method.

Xuanming Hu, Dongjie Wang, Wangyang Ying et al.

Polymer property performance prediction aims to forecast specific features or attributes of polymers, which has become an efficient approach to measuring their performance. However, existing machine learning models face challenges in effectively learning polymer representations due to low-quality polymer datasets, which consequently impact their overall performance. This study focuses on improving polymer property performance prediction tasks by reconstructing an optimal and explainable descriptor representation space. Nevertheless, prior research such as feature engineering and representation learning can only partially solve this task since they are either labor-incentive or unexplainable. This raises two issues: 1) automatic transformation and 2) explainable enhancement. To tackle these issues, we propose our unique Traceable Group-wise Reinforcement Generation Perspective. Specifically, we redefine the reconstruction of the representation space into an interactive process, combining nested generation and selection. Generation creates meaningful descriptors, and selection eliminates redundancies to control descriptor sizes. Our approach employs cascading reinforcement learning with three Markov Decision Processes, automating descriptor and operation selection, and descriptor crossing. We utilize a group-wise generation strategy to explore and enhance reward signals for cascading agents. Ultimately, we conduct experiments to indicate the effectiveness of our proposed framework.

Xuanming Hu, Wei Fan, Dongjie Wang et al.

Urban planning, which aims to design feasible land-use configurations for target areas, has become increasingly essential due to the high-speed urbanization process in the modern era. However, the traditional urban planning conducted by human designers can be a complex and onerous task. Thanks to the advancement of deep learning algorithms, researchers have started to develop automated planning techniques. While these models have exhibited promising results, they still grapple with a couple of unresolved limitations: 1) Ignoring the relationship between urban functional zones and configurations and failing to capture the relationship among different functional zones. 2) Less interpretable and stable generation process. To overcome these limitations, we propose a novel generative framework based on normalizing flows, namely Dual-stage Urban Flows (DSUF) framework. Specifically, the first stage is to utilize zone-level urban planning flows to generate urban functional zones based on given surrounding contexts and human guidance. Then we employ an Information Fusion Module to capture the relationship among functional zones and fuse the information of different aspects. The second stage is to use configuration-level urban planning flows to obtain land-use configurations derived from fused information. We design several experiments to indicate that our framework can outperform compared to other generative models for the urban planning task.