Shengchao Liu | Computer Science | Research Excellence Award

Dr. Shengchao Liu | Computer Science | Research Excellence Award

The Chinese University | Hong Kong

Shengchao Liu is a tenure-track Assistant Professor in the Department of Computer Science and Engineering at The Chinese University of Hong Kong, whose research lies at the intersection of machine learning, geometry, and scientific discovery. His work focuses on developing foundation models and physics-inspired learning frameworks for molecules, proteins, and materials, with the long-term goal of accelerating discovery in chemistry, biology, and materials science. By integrating multi-modal data, symmetry principles, and domain knowledge, his research bridges theoretical advances in AI with real-world experimental impact. A central theme of Dr. Liu’s research is geometric and symmetry-informed representation learning. He has pioneered group-equivariant and manifold-constrained generative models that respect the underlying physical laws of molecular and material systems. His contributions include SE(3)-invariant pretraining methods, group-symmetric stochastic differential equation models, and rigid flow matching techniques, which have significantly improved the fidelity and interpretability of molecular generation and dynamics modeling. These methods form a unifying framework for learning across molecules, proteins, and crystalline materials, as demonstrated in his influential works at ICLR, ICML, NeurIPS, and AISTATS. Dr. Liu’s work is deeply collaborative and interdisciplinary. He has worked closely with leading researchers across academia and industry, including Mila, UC Berkeley, NVIDIA Research, and national laboratories. As a Principal Investigator, he has led NERSC-supported projects on foundation models for material discovery, leveraging large-scale GPU resources to push the frontier of generative AI for science. His research has also contributed widely used open-source resources, including geometric graph learning benchmarks and toolkits adopted by the broader AI-for-science community.

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Featured Publications


Pre-training Molecular Graph Representation with 3D Geometry

– International Conference on Learning Representations , 2021 | Cited by 574


N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules

– Advances in Neural Information Processing Systems, 2019 | Cited by 295


A text-guided protein design framework

– Nature Machine Intelligence, 2025 | Cited by 225

 

Christos Bouras | Computer Science | Research Excellence Award

Prof. Christos Bouras | Computer Science | Research Excellence Award

Prof. Christos Bouras | University of Patras | Greece

Professor Christos Bouras is a distinguished academic leader and renowned computer engineering expert, currently serving as Professor in the Department of Computer Engineering and Informatics and Rector of the University of Patras, Greece. He holds a Diploma and a PhD in Computer Engineering and Informatics from the University of Patras. Over the course of his career, he has made substantial contributions to advanced networking technologies, digital communications, and distributed systems while leading major academic, administrative, and international initiatives. His research expertise spans and Beyond Networks, performance analysis of networking and computer systems, mobile and wireless communications, telematics, QoS and pricing mechanisms, e-learning technologies, and networked virtual environments. As an active member of IEEE and ACM, Professor Bouras has built a global reputation for innovative contributions and collaborative research. He has also held several prestigious roles, including Honorary Professor at the College of Information Engineering, Sichuan Agricultural University, China, and President of the University of Patras Property Utilization & Management Company. His long-standing academic leadership is matched by a major international presence in scholarly events. Professor Bouras has participated extensively in international conference committees for more than three decades, contributing to global research dialogue in computing, networking, and educational technologies. His committee roles span top-tier conferences such as ACM STOC, ICALP, IEEE ICALT, ICL, ICWN, ICOMP, GRID Computing, and numerous specialized workshops across Europe, Asia, and North America. His involvement includes organizing committees, program committees, keynote speaking, and advisory roles in areas such as distributed algorithms, multimedia systems, web-based learning, virtual environments, mobile technologies, simulation and modeling, and entertainment computing. Widely respected for his research excellence, international collaboration, and academic leadership, Professor Bouras continues to advance global innovation in computer networks, digital systems, and technology-enhanced learning.

Profiles: Google Scholar

Featured Publications

Jurgelionis, A., Fechteler, P., Eisert, P., Bellotti, F., David, H., Laulajainen, J. P., Bouras, C., … (2009). Platform for distributed 3D gaming. International Journal of Computer Games Technology, 2009(1), Article 231863.

Bouras, C., Kollia, A., & Papazois, A. (2017). SDN & NFV in 5G: Advancements and challenges. In 2017 20th Conference on Innovations in Clouds, Internet and Networks (ICIN) (pp. xx–xx). IEEE.

Bouras, C., & Tsogkas, V. (2012). A clustering technique for news articles using WordNet. Knowledge-Based Systems, 36, 115–128.

Bouras, C., & Tsiatsos, T. (2006). Educational virtual environments: Design rationale and architecture. Multimedia Tools and Applications, 29(2), 153–173.

Bouras, C., Philopoulos, A., & Tsiatsos, T. (2001). e-Learning through distributed virtual environments. Journal of Network and Computer Applications, 24(3), 175–199.

Bouras, C., Ntarzanos, P., & Papazois, A. (2016). Cost modeling for SDN/NFV based mobile 5G networks. In 2016 8th International Congress on Ultra Modern Telecommunications and Control Systems and Workshops (ICUMT) (pp. xx–xx). IEEE.

Bouras, C., Konidaris, A., & Kostoulas, D. (2004). Predictive prefetching on the web and its potential impact in the wide area. World Wide Web, 7(2), 143–179.