arXiv:2608. 07610v1 Announce Type: cross Abstract: Overlapping peaks and sample-dependent chemical shift variability prevent reliable metabolite recovery from complex biological spectra.
By Jesper L{\o}ve Hinrich, Pia Susan Mayer, Bekzod Khakimov, S{\o}ren Balling Engelsen, Morten M{\o}rup
Magnetic resonance imaging (MRI) super-resolution is vital for improving diagnostic accessibility, yet most methods treat it as a deterministic mapping from a fixed low-resolution input to a high-resolution target. This overlooks a key property of MRI acquisition physics: spatial resolution and signal-to-noise ratio (SNR) are inherently coupled, making any given low-resolution scan merely one of many possible realizations under varying acquisition trade-offs.
arXiv:2609.14569v1 Announce Type: cross
Abstract: Constraining reaction rate coefficients is a central challenge in the development of explicit atmospheric chemical mechanisms, particularly for autox...
By Valery Ashu, Wenqing Peng, Zhi-Song Liu, Heikki Haario, Andreas Rupp, Taiwo Ashu, Petri Clusius, Lukas Pichelstorfer, Zihao Fu, Michael Boy
Monroe is a new molecular foundation model that improves upon existing models by pre‑training on over 81 million molecules from the PM6 quantum chemistry dataset, enhancing stereochemistry representation, and introducing novel training losses such as conformer denoising and embedding decorrelation. It also incorporates a prior‑data‑fitted model (TabPFN) for downstream in‑context prediction and demonstrates superior performance on Polaris benchmarks and activity cliff tests. Ablation studies show that the PFN‑based downstream approach can upgrade other models, producing state‑of‑the‑art variants MiniMol_PFN and CheMeleon_PFN.
By Blazej Banaszewski, Andrew W. Fitzgibbon
arXiv:2607. 06132v1 Announce Type: cross Abstract: Multi-Pool Chemical Exchange Saturation Transfer (CEST) MRI provides valuable metabolic information but is clinically limited by long acquisition times.
By Dexuan Li, Yupeng Wu, Chenglong Wang, Hanlin Liu, Hui Zhen, Jianqi Li, Guang Yang
The paper introduces a Bayesian framework that models BOLD dynamics as coupled Ornstein‑Uhlenbeck processes and uses Sequential Neural Posterior Estimation to produce connectivity posteriors while accounting for measurement noise. Applied to 28 healthy controls scanned at 7T, the method quantifies uncertainty from scanner noise, subject variability, and scan length, revealing that about 46 voxels per ROI and 7 minutes of 7T data suffice for 90% of asymptotic precision. It also shows that 7T achieves within‑session precision 40% faster than 3T and requires roughly 37 times less per‑subject scan time to reach population‑level convergence, offering concrete, scanner‑specific guidance for protocol optimization.
By Simon Carter, Zeming Kuang, Lilianne R. Mujica-Parodi, Helmut H. Strey