Smita Chakraborty

h-index8
2papers

2 Papers

45.9COMP-PHMay 22
A differentiable machine learning small-angle X-ray scattering analysis framework for structure elucidation of lipid nanoparticles

Maria Bånkestad, Sandra Barman, Magnus Röding et al.

Lipid nanoparticles (LNPs) are efficient delivery systems for negatively charged nucleic acids. Their multi-component architecture yields a core-shell structure. Small-angle X-ray scattering (SAXS) is an important characterization technique for LNPs, but recovering internal structure and size distribution from SAXS is an inverse problem with non-unique solutions. Realistic models are often too expensive for systematic exploration. We introduce a machine-learning-accelerated, differentiable framework for SAXS analysis of heterogeneous, polydisperse LNPs. The forward model combines a core-shell particle with a Gaussian random-field interior, a neural surrogate for the monodisperse SAXS map, and a differentiable layer integrating over particle-size distributions. The surrogate reduces prediction cost by four orders of magnitude, while differentiability enables large-scale multi-start fitting and ensemble identifiability analysis. Applied to synthetic and experimental MC3 LNP data, the framework shows that near-identical SAXS fits can arise from distinct parameter modes, with the experimental fits dominated by a trade-off between size-distribution and interior-structure parameters.

CVOct 16, 2025
Grazing Detection using Deep Learning and Sentinel-2 Time Series Data

Aleksis Pirinen, Delia Fano Yela, Smita Chakraborty et al.

Grazing shapes both agricultural production and biodiversity, yet scalable monitoring of where grazing occurs remains limited. We study seasonal grazing detection from Sentinel-2 L2A time series: for each polygon-defined field boundary, April-October imagery is used for binary prediction (grazed / not grazed). We train an ensemble of CNN-LSTM models on multi-temporal reflectance features, and achieve an average F1 score of 77 percent across five validation splits, with 90 percent recall on grazed pastures. Operationally, if inspectors can visit at most 4 percent of sites annually, prioritising fields predicted by our model as non-grazed yields 17.2 times more confirmed non-grazing sites than random inspection. These results indicate that coarse-resolution, freely available satellite data can reliably steer inspection resources for conservation-aligned land-use compliance. Code and models have been made publicly available.