Ax Cheng Zeng, Harry W. Sullivan, Thomas Egg, Maya M. Martirossyan, Philipp H\"ollmer, Jirui Jin, Richard G. Hennig, Adrian Roitberg, Stefano Martiniani, Ellad B. Tadmor, Mingjie Liu 3/9/2026

MolCrystalFlow: Molecular Crystal Structure Prediction via Flow Matching

Flow-based generative model for predicting molecular crystal structures with periodic boundary conditions.

Ax Steffen Eger, Yong Cao, Jennifer D'Souza, Andreas Geiger, Christian Greisinger, Stephanie Gross, Yufang Hou, Brigitte Krenn, Anne Lauscher, Yizhi Li, Chenghua Lin, Nafise Sadat Moosavi, Wei Zhao, Tristan Miller 3/9/2026

Transforming Science with Large Language Models: A Survey on AI-assisted Scientific Discovery, Experimentation, Content Generation, and Evaluation

Survey on LLMs transforming scientific research covering literature search, hypothesis generation, experimentation, content generation, and peer review assistance.

Ax Xiusi Chen, Gaotang Li, Ziqi Wang, Bowen Jin, Cheng Qian, Yu Wang, Hongru Wang, Yu Zhang, Denghui Zhang, Tong Zhang, Hanghang Tong, Heng Ji 3/9/2026

RM-R1: Reward Modeling as Reasoning

Research paper proposing reward modeling with chain-of-thought reasoning for improved LLM alignment with human preferences via reinforcement learning.

Ax Robert Graham, Edward Stevinson, Leo Richter, Alexander Chia, Joseph Miller, Joseph Isaac Bloom 3/9/2026

ContextBench: Modifying Contexts for Targeted Latent Activation

ContextBench: benchmark for generating targeted linguistically fluent inputs that activate specific latent features in language models for safety analysis.

Ax Martine Hjelkrem-Tan, Marius Aasan, Gabriel Y. Arteaga, Ad\'in Ram\'irez Rivera 3/9/2026

SPoT: Subpixel Placement of Tokens in Vision Transformers

SPoT: tokenization strategy for Vision Transformers enabling continuous subpixel token placement instead of grid-based constraints for sparse regime exploitation.

Ax Andrew Campbell, Valentin De Bortoli, Jiaxin Shi, Arnaud Doucet 3/9/2026

Self-Speculative Masked Diffusions

Self-speculative masked diffusions: discrete data generative models reducing function evaluations through speculative sampling without factorization approximations.

Ax Jiarui Li, Zixiang Yin, Zhengming Ding, Samuel J. Landry, Ramgopal R. Mettu 3/9/2026

TCR-EML: Explainable Model Layers for TCR-pMHC Prediction

TCR-EML: explainable machine learning model layers for predicting T cell receptor-peptide MHC binding with interpretability for immunotherapy applications.

Ax Gregory Yauney, Shahzaib Saqib Warraich, Swabha Swayamdipta 3/9/2026

How Reliable is Language Model Micro-Benchmarking?

Meta-evaluation study analyzing reliability of micro-benchmarks for ranking LLMs, comparing against full benchmarks and random sampling approaches.

Ax Mario Markov (INSAIT, Sofia University "St. Kliment Ohridski"), Stefan Maria Ailuro (INSAIT, Sofia University "St. Kliment Ohridski"), Luc Van Gool (INSAIT, Sofia University "St. Kliment Ohridski"), Konrad Schindler (ETH Zurich), Danda Pani Paudel (INSAIT, Sofia University "St. Kliment Ohridski") 3/9/2026

FireScope: Wildfire Risk Prediction with a Chain-of-Thought Oracle

FireScope-Bench: dataset and benchmark for wildfire risk prediction using satellite imagery, climate data, and chain-of-thought reasoning with multimodal integration.

Ax Dashti A. Ali, Aras T. Asaad, Jacob J. Peoples, Mohammad Hamghalam, Natalie Gangai, Richard K. G. Do, Alice C. Wei, Amber L. Simpson 3/9/2026

A Novel Patch-Based TDA Approach for Computed Tomography Imaging

Applies topological data analysis to CT imaging for improved feature extraction in medical imaging ML models.