AI4X 2025 Conference Submissions

CogCommon: Enhancing Cross-Domain Knowledge Extraction with LLM-Assisted Commonality Discovery
Chong Hu, Hangwei Qian, Ivor Tsang
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
A trained Physics-Informed Neural Networks (PINNs) method for phase-field model in Allen-Cahn framework
Le Song, Xuyang Chen, Zhiyong Huang
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Multi-property directed generative design of inorganic materials through Wyckoff-augmented transfer learning
Shuya Yamazaki, Wei Nong, Ruiming Zhu, Kostya S. Novoselov, Andrey E Ustyuzhanin, Kedar Hippalgaonkar
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Effectiveness of Graph Neural Network Operators in Virulence Classification of Mouse-Influenza A Protein Interactions
Liu Jiale, Luyao Zhu, Chee Keong Kwoh, Shamima Rashid
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
AutoEIS: Automated Bayesian Model Selection and Analysis for Electrochemical Impedance Spectroscopy
RUNZE ZHANG, debashish sur, Robert Black, Kangming Li, John Scully, Jason Hattrick-Simpers
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Expanding AI-Based Optical Urinalysis with Synthetic Data: A Large-Scale 849-Patient Study
Igor Balashov, Sofya Stroganova, Yuri Poimanov, Vahan Gevorgyan, Armen Charchyan, Andrey Grunin, Andrey A. Fedyanin
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Explainable AI applications for Serial Femtosecond X-ray Crystallography
Harald Agelii, Alfredo Bellisario, Carl Caleman, Nicusor Timneanu, Sebastian Cardoch
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Testing programs for optical recognition of molecular structures from scientific articles
Ilya Tonkii, Rodion Golovinskii, Denis Chistiakov, Luzanova Alina, Timur A. Aliev, Shcherbakova Elena Andreevna, Michael G. Medvedev, Dmitrii O. Shkil, Maksim V. Fedorov, Ekaterina V. Skorb
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Fusion of quantum-mechanical and experimental data for phase diagram calculation
Timofei Miryashkin, Alexander Shapeev
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Element-Specific Neighbor Lists for Periodic Graph Neural Networks
Chiku Parida
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Unsupervised Learning Methods to Characterise the Chemical Properties on Butterfly Scales
Ong Jun Kiat Justin, N. Duane Loh
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Towards sustainable pathway identification from biowaste resources to chemicals using knowledge graphs
Adarsh Arun, Alexei Lapkin
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Predicting defect formation energies in semiconductors using machine learning
Savyasanchi Aggarwal, Martin Hoffmann Petersen, Seán R. Kavanagh, Alexander G. Squires, Kedar Hippalgaonkar, David O. Scanlon
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Magnetic moment tensor potentials for investigating magnetic materials
Alexey Kotykhov, Max Hodapp, Alexander Shapeev, Ivan Novikov
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
AI regulations under the EU AI Act in critical urban systems
Amelie FAVREAU
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields
Adil Kabylda, Thorben Frank, Sergio Suárez-Dou, Almaz Khabibrakhmanov, Leonardo Medrano Sandonas, Oliver T. Unke, Stefan Chmiela, Klaus Robert Muller, Alexandre Tkatchenko
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Automated Benchmarking of LLMs: Applying Regression to Estimate LLM Accuracy
Suryaansh Jain, Umair Z. Ahmed, Shubham Sahai, Ben Leong
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
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
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Parallelized, Low-cost, and Real-time Machine Learning Model for Immune Cell Morphological Profiling
Ng Zhi Heng Nicholas, Kerwin Kwek Zeming, Kai Yun Quek, Faye Cheung Ka Wai, Denise Teo Bei Lin, Sin Wei Xiang, Jongyoon Han
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
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
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Towards a self-driving lab for metabolic network discovery in biological systems
Lun Ai, Shishun Liang, Stephen Muggleton, Geoff Baldwin
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Super-resolution optical metrology and imaging of 3D nano-scale objects
Jin-Kyu So, Eng Aik Chan, Giorgio Adamo, Nikolay I. Zheludev
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
EVOL3D: A Large-Scale 3D Structure Dataset for Investigating Mutational Effects in Homologous Proteins
Zhiqiang Zhong, Yinghua Yao, Davide Mottin, Jun Pang
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Distance weighted self-attention for nonlocal density functional approximation by artificial neural network
Kulaev Kirill Dmitrievich, Bogdan Protsenko, Alexander Ryabov, Alexander Guda, Evgeny Burnaev, Vladimir Vanovskiy
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Dual Benchmarking of Universal Machine Learning Interatomic Potentials Against DFT and Experimental EXAFS Data
Pjotrs Žguns, Inga Pudza, Alexei Kuzmin
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone