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Sonaly Goswami

Publications and source records attributed to Sonaly Goswami.

2 recordsLinked to original sources

Typed Component Algebras for Simulated Annealing and Markov-Chain Monte Carlo

Simulated annealing (SA) and fixed-temperature Markov-chain Monte Carlo (MCMC) run the same Metropolis-Hastings kernel over a tempered objective, but the variants appear as separate monolithic drivers, so improving one ingredient requires rewriting and re-verifying a whole solver. The shared kernel becomes a typed algebra of five components (objective, cooling schedule, neighborhood, move kernel, and acceptance rule) whose four local composition laws the construction checks; a single Sampler step then runs any point of the algebra. A surrogate proposal, a fitted generalized-Langevin thermostat, a quasi-Monte Carlo polish, or a noise-aware acceptance rule is implemented once and becomes available to every classical, fast, generalized, Hamiltonian, or parallel-tempered driver that shares the interface. The same typing carries the correctness artifacts: SymPy-checked reductions of Generalized SA to its Boltzmann, fast, and Metropolis limits (the reductions surfaced a sign error that had stood in the visiting-distribution literature for three decades); a TLA+ specification model-checked for four safety and two liveness properties; and a three-channel finite-precision audit showing that fixing one channel of the acceptance path does not let float16 reproduce float64 basin selection. The implementation is the open-source Rust-and-Python package anneal, with an Array-API/DLPack device boundary and a portfolio optimizer whose only argument is a budget. On the CUTEst collection under a shared work-unit budget it reaches the best observed basin on more problems than a budget-matched CMA-ES restart heuristic, while carrying the almost-sure convergence and regret guarantees that heuristic lacks. Every reported number and figure regenerates from the reproducibility package with its pinned environment.

cs.SE

Compositional Analysis of Fragrance Accords Using Femtosecond Thermal Lens Spectroscopy

Femtosecond thermal lens spectroscopy (FTLS) is a powerful analytical tool, yet its application to complex, multi-component mixtures like fragrance accords remains limited. Here, we introduce and validate a unified metric, the Femtosecond Thermal Lens Integrated Magnitude (FTL-IM), to characterize such mixtures. The FTL-IM, derived from the integrated signal area, provides a direct, model-free measure of the total thermo-optical response, including critical convective effects. Applying the FTL-IM to complex six-component accords, we demonstrate its utility in predicting a mixture's thermal response from its composition through linear additivity with respect to component mole fractions. Our method quantifies the accords' behavior, revealing both the baseline contributions of components and the dominant, non-linear effects of highly-active species like Methyl Anthranilate. This consistency is validated across single-beam Z-scan, dual-beam Z-scan, and time-resolved FTLS measurements. The metric also demonstrates the necessity of single-beam measurements for interpreting dual-beam data. This work establishes a rapid, quantitative method for fragrance analysis, offering advantages for quality control by directly linking a mixture's bulk thermo-optical properties to its composition.

physics.chem-ph