AI4X 2025 Conference Submissions

Deep learning for thermoelectric property prediction: A data-informed approach to skutterudites
Victor Posligua, Karina Landivar, Gerda Rogl, Peter F. Rogl, Jose J. Plata, Antonio M. Marquez
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Poster
- Readers: Everyone
Deep Learning Based Event 4-Dimensional Track Reconstruction in LArTPC Detector
Wei Mu
- Published: 21 Apr 2025, Last Modified: 29 May 2025
- AI4X 2025 Poster
- Readers: Everyone
Thermal Effects on Optoelectronics: A Graph Neural Network Approach
Pol Benítez, Edgardo Saucedo, Claudio Cazorla
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Oral
- Readers: Everyone
Autocorrelation Matters: Understanding the Role of Initialization Schemes for State Space Models
Fusheng Liu, Qianxiao Li
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Oral
- Readers: Everyone
Learning the Hamiltonian of Large, Disordered Atomic Systems
Chen Hao Xia, Manasa Kaniselvan, Alexandros Nikolaos Ziogas, Rayen Mahjoub, Marko Mladenovic, Alexander Maeder, Mathieu Luisier
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Oral
- Readers: Everyone
Multi-Agent DRL Framework for Coordinated HVAC Control in Large-Scale Buildings
Wenhan Yu, Jun Zhao
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Poster
- Readers: Everyone
Digital Exploration of Metal-Organic Polyhedra in The World Avatar
Aleksandar Kondinski, Simon D. Rihm, Pei Chong, Yong Ren Tan, Srishti Ganguly, Sebastian Mosbach, Jethro Akroyd, Ari Fischer, Xu Rong, Markus Kraft
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Oral
- Readers: Everyone
Artificial intelligence guided search for van der Waals materials with high optical anisotropy
Liudmila Bereznikova, Kruglov Ivan, Ermolaev Georgy, Valentyn Volkov, Kostya S. Novoselov
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Poster
- Readers: Everyone
Leveraging Implicit Representations of Atomistic Foundation Model for Generation and Optimization of Molecules
Y H, Keyu Wu, Ji Wei Yoon
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Oral
- Readers: Everyone
The Digital Lab Facility Manager: Automating operations of research laboratories through “The World Avatar”
Simon D. Rihm, Yong Ren Tan, Wilson Ang, Hou Yee Quek, Xinhong Deng, Michael Teguh Laksana, Jiaru Bai, Sebastian Mosbach, Jethro Akroyd, Markus Kraft
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Poster
- Readers: Everyone
Comprehensive sampling of coverage effects in catalysis by leveraging generalization in neural network models
Nitish Govindarajan, Daniel Schwalbe-Koda, Joel B Varley
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Oral
- Readers: Everyone
Generative model for enhancing reticular material discovery
Theo Jaffrelot inizan
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Oral
- Readers: Everyone
Learning Macroscopic Dynamics from Partial Microscopic Observations
Mengyi Chen, Qianxiao Li
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Oral
- Readers: Everyone
Probing out-of-distribution generalization in machine learning for materials
Kangming Li, Andre Niyongabo Rubungo, Xiangyun Lei, Daniel Persaud, Kamal Choudhary, Brian DeCost, Adji Bousso Dieng, Jason Hattrick-Simpers
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Oral
- Readers: Everyone
Hyperspectral unmixing for Raman spectroscopy via physics-constrained autoencoders
Dimitar Georgiev, Álvaro Fernández-Galiana, Simon Vilms Pedersen, Georgios Papadopoulos, Ruoxiao Xie, Molly M. Stevens, Mauricio Barahona
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Oral
- Readers: Everyone
ANTIPASTI: interpretable prediction of antibody binding affinity exploiting Normal Modes and Deep Learning
Kevin Michalewicz, Mauricio Barahona, Barbara Bravi
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Oral
- Readers: Everyone
Quantum Networks in 6G Communications: Technologies, Challenges, and Applications
Liangxin Qian, Jun Zhao
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Oral
- Readers: Everyone
Utility-Cost Ratio Maximization in Quantum Networks for Secure Quantum Key Distribution
Liangxin Qian, Jun Zhao
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Poster
- Readers: Everyone
Enhancing quantum adversarial robustness by randomized encodings
Weiyuan Gong, Dong Yuan, Weikang Li, Dong-Ling Deng
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Poster
- Readers: Everyone
Integrating Graph Databases and AI for Advanced HAZOP Analysis in Ammonia-Hydrogen Systems
Mokkawes Thirakorn
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Poster
- Readers: Everyone
CLUE: uncertainty-aware artificial intelligence in materials science
Cibrán López, Edgardo Saucedo, Claudio Cazorla
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Poster
- Readers: Everyone
Inferring latent task strategy from prefrontal activity
Yichen Qian
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Poster
- Readers: Everyone
Finding environmental-friendly chemical synthesis with AI and high-throughput robotics
Vu Van Hao, Khanh-Huyen Bui, Dang Khoa Dang Dinh, Manh Duong-Tuan, Dung D. Le, Nguyen-Dang Tung
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Oral
- Readers: Everyone
Expressibility-induced concentration of quantum neural tangent kernels
Li-Wei Yu, Weikang Li, Qi Ye, Zhide Lu, Zizhao Han, Dong-Ling Deng
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Poster
- Readers: Everyone
APEX: An Automated Cloud-Native Material Property Explorer
Tongqi Wen, Zhuoyuan Li, David Srolovitz
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Poster
- Readers: Everyone