Yanran Wang

Haoming Yan, Xinyu Chen, Yanran Wang et al.

The discovery of effective molecular modulators is essential for advancing perovskite solar cells (PSCs), but the research process is hindered by the vastness of chemical space and the time-consuming and expensive trial-and-error experimental screening. Concurrently, machine learning (ML) offers significant potential for accelerating materials discovery. However, applying ML to PSCs remains a major challenge due to data scarcity and limitations of traditional quantitative structure-property relationship (QSPR) models. Here, we apply a chemical informed transfer learning framework based on pre-trained deep neural networks, which achieves high accuracy in predicting the molecular modulator's effect on the power conversion efficiency (PCE) of PSCs. This framework is established through systematical benchmarking of diverse molecular representations, enabling lowcost and high-throughput virtual screening over 79,043 commercially available molecules. Furthermore, we leverage interpretability techniques to visualize the learned chemical representation and experimentally characterize the resulting modulator-perovskite interactions. The top molecular modulators identified by the framework are subsequently validated experimentally, delivering a remarkably improved champion PCE of 26.91% in PSCs.

Yanran Wang, Qiuchen Qian, David Boyle

Reinforcement learning can provide effective reasoning for sequential decision-making problems with variable dynamics. Such reasoning in practical implementation, however, poses a persistent challenge in interpreting the reward function and the corresponding optimal policy. Consequently, representing sequential decision-making problems as probabilistic inference can have considerable value, as, in principle, the inference offers diverse and powerful mathematical tools to infer the stochastic dynamics whilst suggesting a probabilistic interpretation of policy optimization. In this study, we propose a novel Adaptive Wasserstein Variational Optimization, namely AWaVO, to tackle these interpretability challenges. Our approach uses formal methods to achieve the interpretability for convergence guarantee, training transparency, and intrinsic decision-interpretation. To demonstrate its practicality, we showcase guaranteed interpretability with an optimal global convergence rate in simulation and in practical quadrotor tasks. In comparison with state-of-the-art benchmarks including TRPO-IPO, PCPO and CRPO, we empirically verify that AWaVO offers a reasonable trade-off between high performance and sufficient interpretability.

Pengxin Guo, Runxi Wang, Shuang Zeng et al.

Federated Learning (FL) has emerged as a promising privacy-preserving collaborative model training paradigm without sharing raw data. However, recent studies have revealed that private information can still be leaked through shared gradient information and attacked by Gradient Inversion Attacks (GIA). While many GIA methods have been proposed, a detailed analysis, evaluation, and summary of these methods are still lacking. Although various survey papers summarize existing privacy attacks in FL, few studies have conducted extensive experiments to unveil the effectiveness of GIA and their associated limiting factors in this context. To fill this gap, we first undertake a systematic review of GIA and categorize existing methods into three types, i.e., \textit{optimization-based} GIA (OP-GIA), \textit{generation-based} GIA (GEN-GIA), and \textit{analytics-based} GIA (ANA-GIA). Then, we comprehensively analyze and evaluate the three types of GIA in FL, providing insights into the factors that influence their performance, practicality, and potential threats. Our findings indicate that OP-GIA is the most practical attack setting despite its unsatisfactory performance, while GEN-GIA has many dependencies and ANA-GIA is easily detectable, making them both impractical. Finally, we offer a three-stage defense pipeline to users when designing FL frameworks and protocols for better privacy protection and share some future research directions from the perspectives of attackers and defenders that we believe should be pursued. We hope that our study can help researchers design more robust FL frameworks to defend against these attacks.

Weiren Zhao, Feng Wang, Yanran Wang et al.

Recent advancements have highlighted the Mamba framework, a state-space model known for its efficiency in capturing long-range dependencies with linear computational complexity. While Mamba has shown competitive performance in medical image segmentation, it encounters difficulties in modeling local features due to the sporadic nature of traditional location-based scanning methods and the complex, ambiguous boundaries often present in medical images. To overcome these challenges, we propose Uncertainty-Driven Mamba (UD-Mamba), which redefines the pixel-order scanning process by incorporating channel uncertainty into the scanning mechanism. UD-Mamba introduces two key scanning techniques: 1) sequential scanning, which prioritizes regions with high uncertainty by scanning in a row-by-row fashion, and 2) skip scanning, which processes columns vertically, moving from high-to-low or low-to-high uncertainty at fixed intervals. Sequential scanning efficiently clusters high-uncertainty regions, such as boundaries and foreground objects, to improve segmentation precision, while skip scanning enhances the interaction between background and foreground regions, allowing for timely integration of background information to support more accurate foreground inference. Recognizing the advantages of scanning from certain to uncertain areas, we introduce four learnable parameters to balance the importance of features extracted from different scanning methods. Additionally, a cosine consistency loss is employed to mitigate the drawbacks of transitioning between uncertain and certain regions during the scanning process. Our method demonstrates robust segmentation performance, validated across three distinct medical imaging datasets involving pathology, dermatological lesions, and cardiac tasks.