AI4X 2025 Conference Submissions

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: 26 May 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: 26 May 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: 26 May 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: 26 May 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: 26 May 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: 26 May 2025
- AI4X 2025 Poster
- Readers: Everyone
Bridging Contextual Information in Deep Learning for Structural Defect Classification
Jiadong Dan, Zhang Cheng, Leyi Loh, Goki Eda, N. Duane Loh
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Oral
- Readers: Everyone
Algorithm unrolling for solving inverse problems in signal and image processing
Caroline Chaux, Abhijit Singh, Emmanuel Soubies, Vincent Y. F. Tan
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Oral
- Readers: Everyone
Topology-Preserving Deep Learning for Structural Integrity in Optical Semiconductor Characterization at Deeply Subwavelength Resolution
Yuhan Peng, Benquan Wang, Kelin Xia, Zexiang Shen
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Oral
- Readers: Everyone
Diffusion Model-Driven Optimization of High-Efficiency Wavelength-Scale Microring Lasers
Mihir Rajendra Athavale, Andre KY Low, Stephen Church, Wei Wen Wong, Kedar Hippalgaonkar, Hark Hoe Tan, Patrick Parkinson
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Poster
- Readers: Everyone
AI for Data Science: A Benchmark for Differentially Private Text Dataset Generators
Viktor Schlegel, Yuping Wu, Warren Del-Pinto, Goran Nenadic, Anil Anthony Bharath
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Poster
- Readers: Everyone
A unified moment tensor potential for silicon, oxygen, and silica
Karim Zongo, Hao Sun, Claudiane Ouellet-Plamondon, Laurent Karim Béland
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Poster
- Readers: Everyone
Minimizing the carbon footprint of 3D printing concrete: Leveraging parametric LCA and neural networks through multiobjective optimization
Zibo Willy Jin, Jean-François Caron, Claudiane Ouellet-Plamondon
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Oral
- Readers: Everyone
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
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Oral
- Readers: Everyone
Seeing the Invisible: Breaking the Diffraction Limit with Geometry-aware Deep Learning
Benquan Wang, Eng Aik Chan, Jin-Kyu So, Yuhan Peng, Ruyi An, Yewen Li, Zexiang Shen, Bo An, Giorgio Adamo, Nikolay I. Zheludev
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Poster
- Readers: Everyone
Construction and Application of Materials Knowledge Graph in Multidisciplinary Materials Science via Large Language Model
Tong Xie, Yanpeng Ye, Jie Ren, Shaozhou Wang, Yuwei Wan, Imran Razzak, Bram Hoex, Haofen Wang, Wenjie Zhang
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Oral
- Readers: Everyone
MOOSE-Chem: Large Language Models for Rediscovering Unseen Chemistry Scientific Hypotheses
Zonglin Yang, Wanhao Liu, Ben Gao, Tong Xie, Yuqiang Li, Wanli Ouyang, Soujanya Poria, Erik Cambria, Dongzhan Zhou
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Oral
- Readers: Everyone
DARWIN 1.5 : Large Language Models as Materials Science Adapted Learners
Tong Xie, Yuwei Wan, Yuchen Zeng, Clara Grazian, Wenjie Zhang, Dongzhan Zhou, Yixuan Liu, Shaozhou Wang, Chunyu Kit, Wanli Ouyang, Bram Hoex
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Oral
- Readers: Everyone
Combining Flow Matching and Transformers for Efficient Solution of Bayesian Inverse Problems
Daniil Sherki, Ivan Oseledets, Ekaterina Muravleva
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Oral
- Readers: Everyone
Dynamical systems' predictability using machine learning
Yuxuan Yang, Gianmarco Mengaldo
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Oral
- Readers: Everyone
Machine Learning-Driven Insights for Phase-Stable FAxCs1–xPb(IyBr1–y)3 Perovskites in Tandem Solar Cells
Ran Luo, Yi Hou
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Oral
- Readers: Everyone
chemtrain: Learning deep potential models via automatic differentiation and statistical physics
Paul Fuchs, Stephan Thaler, Sebastien Röcken, Julija Zavadlav
- Published: 21 Apr 2025, Last Modified: 21 Apr 2025
- AI4X 2025 Oral
- Readers: Everyone
Machine Learning-enabled cartography of complex chemical spaces into distinct regimes
Yi Wei Lee, Qianxiao Li, Saif A.Khan
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Poster
- Readers: Everyone
Approximations of the Inverse Cumulative Distribution Function using Transport Maps and Physics-informed Neural Networks
Dawen Wu, Ludovic Chamoin, Stéphane Bressan
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Poster
- Readers: Everyone
Advancing Kitome Analysis in Low Abundance Sterility Testing: Blinded Microbial Study Through the Lens of Deep Learning and Nanopore Sequencing
James P. B. Strutt, Meenubharathi Natarajan, Charles Swofford, Rohan B. H. Williams, Stacy L. Springs, Suiyuan Xia
- Published: 21 Apr 2025, Last Modified: 26 May 2025
- AI4X 2025 Poster
- Readers: Everyone