Yingtao Liu

Md Manjurul Ahsan, Yingtao Liu, Shivakumar Raman et al.

Digital Twins (DTs) are becoming popular in Additive Manufacturing (AM) due to their ability to create virtual replicas of physical components of AM machines, which helps in real-time production monitoring. Advanced techniques such as Machine Learning (ML), Augmented Reality (AR), and simulation-based models play key roles in developing intelligent and adaptable DTs in manufacturing processes. However, questions remain regarding scalability, the integration of high-quality data, and the computational power required for real-time applications in developing DTs. Understanding the current state of DTs in AM is essential to address these challenges and fully utilize their potential in advancing AM processes. Considering this opportunity, this work aims to provide a comprehensive overview of DTs in AM by addressing the following four research questions: (1) What are the key types of DTs used in AM and their specific applications? (2) What are the recent developments and implementations of DTs? (3) How are DTs employed in process improvement and hybrid manufacturing? (4) How are DTs integrated with Industry 4.0 technologies? By discussing current applications and techniques, we aim to offer a better understanding and potential future research directions for researchers and practitioners in AM and DTs.

Md Manjurul Ahsan, Shivakumar Raman, Yingtao Liu et al.

Diffusion Models are probabilistic models that create realistic samples by simulating the diffusion process, gradually adding and removing noise from data. These models have gained popularity in domains such as image processing, speech synthesis, and natural language processing due to their ability to produce high-quality samples. As Diffusion Models are being adopted in various domains, existing literature reviews that often focus on specific areas like computer vision or medical imaging may not serve a broader audience across multiple fields. Therefore, this review presents a comprehensive overview of Diffusion Models, covering their theoretical foundations and algorithmic innovations. We highlight their applications in diverse areas such as media quality, authenticity, synthesis, image transformation, healthcare, and more. By consolidating current knowledge and identifying emerging trends, this review aims to facilitate a deeper understanding and broader adoption of Diffusion Models and provide guidelines for future researchers and practitioners across diverse disciplines.

Feng Ren, Xiao Ding, Min Zheng et al.

The AlphaFold computer program predicted protein structures for the whole human genome, which has been considered as a remarkable breakthrough both in artificial intelligence (AI) application and structural biology. Despite the varying confidence level, these predicted structures still could significantly contribute to structure-based drug design of novel targets, especially the ones with no or limited structural information. In this work, we successfully applied AlphaFold in our end-to-end AI-powered drug discovery engines constituted of a biocomputational platform PandaOmics and a generative chemistry platform Chemistry42, to identify a first-in-class hit molecule of a novel target without an experimental structure starting from target selection towards hit identification in a cost- and time-efficient manner. PandaOmics provided the targets of interest and Chemistry42 generated the molecules based on the AlphaFold predicted structure, and the selected molecules were synthesized and tested in biological assays. Through this approach, we identified a small molecule hit compound for CDK20 with a Kd value of 8.9 +/- 1.6 uM (n = 4) within 30 days from target selection and after only synthesizing 7 compounds. Based on the available data, the second round of AI-powered compound generation was conducted and through which, a more potent hit molecule, ISM042-2 048, was discovered with a Kd value of 210.0 +/- 42.4 nM (n = 2), within 30 days and after synthesizing 6 compounds from the discovery of the first hit ISM042-2-001. To the best of our knowledge, this is the first reported small molecule targeting CDK20 and more importantly, this work is the first demonstration of AlphaFold application in the hit identification process in early drug discovery.