A Note on the Generalized Nonlinear Vector Variational-Like Inequality Problem

In this paper, we discuss two variants of the generalized nonlinear vector variational-like inequality problem. We provide their solutions by adopting topological approach. Topological properties such as compactness, closedness, and net theory are used in the proof. The admissibility of the function space topology and KKM-Theorem have played important role in proving the results.

Dynamic particle swarm optimization of biomolecular simulation parameters with flexible objective functions

Molecular simulations are a powerful tool to complement and interpret ambiguous experimental data on biomolecules to obtain structural models. Such data-assisted simulations often rely on parameters, the choice of which is highly non-trivial and crucial to performance. The key challenge is weighting experimental information with respect to the underlying physical model. We introduce FLAPS, a self-adapting variant of dynamic particle swarm optimization, to overcome this parameter selection problem. FLAPS is suited for the optimization of composite objective functions that depend on both the optimization parameters and additional, a priori unknown weighting parameters, which substantially influence the search-space topology. These weighting parameters are learned at runtime, yielding a dynamically evolving and iteratively refined search-space topology. As a practical example, we show how FLAPS can be used to find functional parameters for small-angle X-ray scattering-guided protein simulations.

Fragility of surface states in topological superfluid 3He

Superfluid 3He, with unconventional spin-triplet p-wave pairing, provides a model system for topological superconductors, which have attracted significant interest through potential applications in topologically protected quantum computing. In topological insulators and quantum Hall systems, the surface/edge states, arising from bulk-surface correspondence and the momentum space topology of the band structure, are robust. Here we demonstrate that in topological superfluids and superconductors the surface Andreev bound states, which depend on the momentum space topology of the emergent order parameter, are fragile with respect to the details of surface scattering. We confine superfluid 3He within a cavity of height D comparable to the Cooper pair diameter ξ0. We precisely determine the superfluid transition temperature Tc and the suppression of the superfluid energy gap, for different scattering conditions tuned in situ, and compare to the predictions of quasiclassical theory. We discover that surface magnetic scattering leads to unexpectedly large suppression of Tc, corresponding to an increased density of low energy bound states.