AI4X 2025 Conference Submissions

Scaling Foundation Models for Molecular Chemistry
Alexius Wadell, Anoushka Bhutani, Venkatasubramanian Viswanathan
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Finetuning Large Language Models for Prediction of C-H Functionalisation Selectivity
Ahmed M. Zaitoun
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Weighted Confidence Ensemble for Uncertainty Quantification in Physics-Informed Neural Networks
Anshuman Pasupalak
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Classifying Petabytes of varying structural motifs in supercooled water
Ervin S.H Chia, N. Duane Loh, Carl Caleman, Nicusor Timneanu, Filipe R.N.C. Maia, Jonas A. Sellberg, Andrew V. Martin
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Unsupervised learning of spatiotemporal motifs in dynamically self-organized cells
Lim Ying Chen, Rakesh Das, Tetsuya Hiraiwa, N. Duane Loh
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Accelerating crystal structure prediction and liquid electrolyte simulations using actively-trained moment tensor potentials
Nikita Rybin, Evgeny Moerman, Mikhail Polovinkin, Ivan Novikov, Alexander Shapeev
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Decoding Brain Waves: EEG Attention Detection Across Performance Levels
Jamie Cheng Jia Ping
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
AI-Powered Agile Analog Circuit Design and Optimization
Jinhai Hu, Wang Ling Goh, Yuan Gao
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Investigating Battery Degradation Patterns and Predictive Models for Sustainable Energy Systems
Nigel Max Wee Yaohan, Riko I Made, Kedar Hippalgaonkar, Yin Xuesong
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Automating Materials Science Research: NLP-Driven Pipeline for Data Analysis and Experimentation
Yuchen Zhang, Bin Chen, Jian Su
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Hybrid and Generative Models for Material Science Event Extraction
Anran Hao, Jian Su
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Mapping Intelligibility: Hybrid AI, Sustainability, and “Wind Maps” of Singapore
Andrew Prahl, Hydar Saharudin, Beatriz Moya, Ishmam Ahmed, Hallam Stevens, Vanessa Evers
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Dynamical error metrics for machine learning forecasting
Zhou Fang, Gianmarco Mengaldo
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Efficient preconditioning for iterative methods with graph neural networks
Vladislav Trifonov, Alexander Rudikov, Oleg Iliev, Yuri M. Laevsky, Ivan Oseledets, Ekaterina Muravleva
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
AI-powered platform for scientific discovery
Vladislav Trifonov, Iaroslav Kononov, Daniil Sherki, Oleg Svidchenko, Aleksei Shpilman, Ekaterina Muravleva
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
The Science of AI: Probing Activations in Deep Networks
Vivek Mohan, Gloria Sun, Viktor Schlegel, Tianhong Dai, Samyakh Tukra, Anil Anthony Bharath
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Simultaneous Optimization of Yield, Threshold, and Wavelength in Microring Lasers Using Bayesian Optimization
Mihir Rajendra Athavale, Ruqaiya Al-Abri, Stephen Church, Wei Wen Wong, Andre KY Low, Hark Hoe Tan, Kedar Hippalgaonkar, Patrick Parkinson
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Variational Autoencoders Capture Plant Biomolecular Stress Information
Anoop C. Patil
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Discovering solid electrolytes through the analysis of machine-learned potential energy surfaces
Artem Maevskiy, Alexandra Carvalho, Emil Sataev, Volha Turchyna, Keian Noori, Aleksandr Rodin, A. H. Castro Neto, Andrey E Ustyuzhanin
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Metastable Polymorph Stabilization with Physics-based Descriptor Engineering and Machine Learning
Haiwen Dai, Andy Paul Chen, Shuya Yamazaki, Andre KY Low, Jose Recatala-Gomez, Meng Fanxu, Kedar Hippalgaonkar
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Unsupervised Learning of Transient Structural Motifs of ssDNA Using Translationally and Rotationally Invariant Features
Karis Kungsamutr, Yan Jie, N. Duane Loh
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Biosensing using CNNs to Detect Noisy but Persistent Nanoparticle Binding Events on Supported Lipid Bilayer Systems
Zhen Yuan Yeo, Eun Ho Song, Kyeongmee Lee, Jwa-Min Nam, N. Duane Loh
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone
Unsupervised Machine Learning for Phase Identification and Characterization of High-Resolution STEM EELS in Novel Battery Materials
Zhen Yuan Yeo, Wenhui Lai, Jong Hak Lee, Deepan Balakrishnan, Barbaros Özyilmaz, N. Duane Loh
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Physics-informed neural network for single-shot phase retrieval in cryo-EM
Yixiao Yang, Joel Yeo, Yong Zi Tan, N. Duane Loh
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Oral
- Readers: Everyone
Quantifying Uncertainty in Physics-Informed Neural Networks
Yip Jun Kai, Eduardo de Conto, Arvind Easwaran
- Published: 21 Apr 2025, Last Modified: 19 Jun 2025
- AI4X 2025 Poster
- Readers: Everyone