Karan Shah

Karan Shah, Attila Cangi

Time-dependent density functional theory (TDDFT) is a widely used method to investigate electron dynamics under various external perturbations such as laser fields. In this work, we present a novel approach to accelerate real time TDDFT based electron dynamics simulations using autoregressive neural operators as time-propagators for the electron density. By leveraging physics-informed constraints and high-resolution training data, our model achieves superior accuracy and computational speed compared to traditional numerical solvers. We demonstrate the effectiveness of our model on a class of one-dimensional diatomic molecules. This method has potential in enabling real-time, on-the-fly modeling of laser-irradiated molecules and materials with varying experimental parameters.

Karan Shah, Vishruth Veerendranath, Anushka Hebbar et al.

Streaming Linear Discriminant Analysis (LDA) while proven in Class-incremental Learning deployments at the edge with limited classes (upto 1000), has not been proven for deployment in extreme classification scenarios. In this paper, we present: (a) XLDA, a framework for Class-IL in edge deployment where LDA classifier is proven to be equivalent to FC layer including in extreme classification scenarios, and (b) optimizations to enable XLDA-based training and inference for edge deployment where there is a constraint on available compute resources. We show up to 42x speed up using a batched training approach and up to 5x inference speedup with nearest neighbor search on extreme datasets like AliProducts (50k classes) and Google Landmarks V2 (81k classes)