Decoding kinetic selectivity in diffusion-limited solid state synthesis reactions through machine-learning accelerated molecular dynamics
Vir Karan, Max C. Gallant, Kristin Persson
Oral
AI4X 2025 论文列表
International Conference on AI for X
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AI-powered platform for scientific discovery
Vladislav Trifonov, Iaroslav Kononov, Daniil Sherki, Oleg Svidchenko, Aleksei Shpilman, Ekaterina Muravleva
Poster
Deep Topological Denoising: Autoencoder-Driven Noise Suppression for Atomic Force Microscopy data with Topological Data Analysis Validation
Aleksandr S. Aglikov, Alexey V. Redkov, Timur A. Aliev, Michael Nosonovsky, Ekaterina V. Skorb
Oral
A Symmetry-Aware Multimodal Transformer for Spin Hall Conductivity Prediction
Ying Zhang, Lei Shen, Wu Yihong
Oral
FedIMPUTE: Privacy-preserving missing value imputation for multi-site heterogeneous electronic health records
Siqi Li, Mengying Yan, Molei Liu, Nan Liu, Chuan Hong
Poster
Simulating Professional Workplaces: A Pedagogical Framework for Generative AI-Powered Role-Play for Competency-Based Education
Liu Liu, Ng Sook Mun, Kaizen Low, Ben Leong
Oral
EVOL3D: A Large-Scale 3D Structure Dataset for Investigating Mutational Effects in Homologous Proteins
Zhiqiang Zhong, Yinghua Yao, Davide Mottin, Jun Pang
Poster
Phase Space Visualization and Neural Networks: Learning Hamiltonian Dynamics in the Duffing System
Abrari Noor Hasmi, Haralampos Hatzikirou, Hadi Susanto
Oral
Conversational Self-Play for Discovering and Understanding Psychotherapy Approaches
Onno P. Kampman, Michael Xing, Charmaine Lim, Ahmad Ishqi Jabir, Ryan Louie, Jimmy Lee, Robert JT Morris
Oral
Efficient preconditioning for iterative methods with graph neural networks
Vladislav Trifonov, Alexander Rudikov, Oleg Iliev, Yuri M. Laevsky, Ivan Oseledets, Ekaterina Muravleva
Oral
Wide field-of-view imaging with hyperbolic metalenses using a Restormer network
Joel Yeo, Deepak K. Sharma, Saurabh Srivastava, Huang Aihong, Emmanuel Lassalle, Egor Khaidarov, Lai Keng Heng, Fu Yuan-Hsing, Arseniy Kuznetsov, N. Duane Loh, Ramon Jose Paniagua Dominguez
Poster
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
Oral
Scaling Foundation Models for Molecular Chemistry
Alexius Wadell, Anoushka Bhutani, Venkatasubramanian Viswanathan
Poster
PSBench: A Benchmark for Automated Academic Paper Search
Junyi Hou, Haodong Zhao, Bingsheng He
Poster
Physics-Informed Automatic Differentiation for Single-Shot Nanoscale 3D Imaging in In Situ Transmission Electron Microscopy
Deepan Balakrishnan, Joel Yeo, Yixiao Yang, Tristan Bepler, N. Duane Loh
Oral
Combining Flow Matching and Transformers for Efficient Solution of Bayesian Inverse Problems
Daniil Sherki, Ivan Oseledets, Ekaterina Muravleva
Oral
Effectiveness of Graph Neural Network Operators in Virulence Classification of Mouse-Influenza A Protein Interactions
Liu Jiale, Luyao Zhu, Chee Keong Kwoh, Shamima Rashid
Oral
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
Poster
CryptoTrade: A Reflective LLM-based Agent to Guide Zero-shot Cryptocurrency Trading
Yuan Li, Bingqiao Luo, Qian Wang, Nuo Chen, Xu Liu, Bingsheng He
Oral
AI Driven Pipelines for Science - From Easy To Hard
Antoine Sanchez, Viktor Schlegel, Nathan CK Wong, Christina Atchison, Anil Anthony Bharath, Christina Vagena-Pantoula, Sulaimaan Lim, Julien C Vermot
Poster