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This paper studies the fusogenicity of cationic liposomes in relation to their surface distribution of cationic lipids and utilizes membrane phase separation to control this surface distribution. It is found that concentrating the cationic lipids into small surface patches on liposomes, through phase-separation, can enhance liposome's fusogenicity. Further concentrating these lipids into smaller patches on the surface of liposomes led to an increased level of fusogenicity. These experimental findings are supported by numerical simulations using a mathematical model for phase-separated charged liposomes. Findings of this study may be used for design and development of highly fusogenic liposomes with minimal level of toxicity.

We consider the fundamental task of optimizing a real-valued function defined in a potentially high-dimensional Euclidean space, such as the loss function in many machine-learning tasks or the logarithm of the probability distribution in statistical inference. We use the warped Riemannian geometry notions to redefine the optimisation problem of a function on Euclidean space to a Riemannian manifold with a warped metric, and then find the function's optimum along this manifold. The warped metric chosen for the search domain induces a computational friendly metric-tensor for which optimal search directions associate with geodesic curves on the manifold becomes easier to compute. Performing optimization along geodesics is known to be generally infeasible, yet we show that in this specific manifold we can analytically derive Taylor approximations up to third-order. In general these approximations to the geodesic curve will not lie on the manifold, however we construct suitable retraction maps to pull them back onto the manifold. Therefore, we can efficiently optimize along the approximate geodesic curves. We cover the related theory, describe a practical optimization algorithm and empirically evaluate it on a collection of challenging optimisation benchmarks. Our proposed algorithm, using third-order approximation of geodesics, outperforms standard Euclidean gradient-based counterparts in term of number of iterations until convergence and an alternative method for Hessian-based optimisation routines.

We propose a generalization of nonlinear stability of numerical one-step integrators to Riemannian manifolds in the spirit of Butcher's notion of B-stability. Taking inspiration from Simpson-Porco and Bullo, we introduce non-expansive systems on such manifolds and define B-stability of integrators. In this first exposition, we provide concrete results for a geodesic version of the Implicit Euler (GIE) scheme. We prove that the GIE method is B-stable on Riemannian manifolds with non-positive sectional curvature. We show through numerical examples that the GIE method is expansive when applied to a certain non-expansive vector field on the 2-sphere, and that the GIE method does not necessarily possess a unique solution for large enough step sizes. Finally, we derive a new improved global error estimate for general Lie group integrators.

We introduce and analyze a symmetric low-regularity scheme for the nonlinear Schr\"odinger (NLS) equation beyond classical Fourier-based techniques. We show fractional convergence of the scheme in $L^2$-norm, from first up to second order, both on the torus $\mathbb{T}^d$ and on a smooth bounded domain $\Omega \subset \mathbb{R}^d$, $d\le 3$, equipped with homogeneous Dirichlet boundary condition. The new scheme allows for a symmetric approximation to the NLS equation in a more general setting than classical splitting, exponential integrators, and low-regularity schemes (i.e. under lower regularity assumptions, on more general domains, and with fractional rates). We motivate and illustrate our findings through numerical experiments, where we witness better structure preserving properties and an improved error-constant in low-regularity regimes.

The time-harmonic Maxwell equations at high wavenumber k in domains with an analytic boundary and impedance boundary conditions are considered. A wavenumber-explicit stability and regularity theory is developed that decomposes the solution into a part with finite Sobolev regularity that is controlled uniformly in k and an analytic part. Using this regularity, quasi-optimality of the Galerkin discretization based on Nedelec elements of order p on a mesh with mesh size h is shown under the k-explicit scale resolution condition that a) kh/p is sufficient small and b) p/\ln k is bounded from below.

In this paper, we introduce a novel numerical approach for approximating the SIR model in epidemiology. Our method enhances the existing linearization procedure by incorporating a suitable relaxation term to tackle the transcendental equation of nonlinear type. Developed within the continuous framework, our relaxation method is explicit and easy to implement, relying on a sequence of linear differential equations. This approach yields accurate approximations in both discrete and analytical forms. Through rigorous analysis, we prove that, with an appropriate choice of the relaxation parameter, our numerical scheme is non-negativity-preserving and globally strongly convergent towards the true solution. These theoretical findings have not received sufficient attention in various existing SIR solvers. We also extend the applicability of our relaxation method to handle some variations of the traditional SIR model. Finally, we present numerical examples using simulated data to demonstrate the effectiveness of our proposed method.

Confidence intervals based on the central limit theorem (CLT) are a cornerstone of classical statistics. Despite being only asymptotically valid, they are ubiquitous because they permit statistical inference under very weak assumptions, and can often be applied to problems even when nonasymptotic inference is impossible. This paper introduces time-uniform analogues of such asymptotic confidence intervals. To elaborate, our methods take the form of confidence sequences (CS) -- sequences of confidence intervals that are uniformly valid over time. CSs provide valid inference at arbitrary stopping times, incurring no penalties for "peeking" at the data, unlike classical confidence intervals which require the sample size to be fixed in advance. Existing CSs in the literature are nonasymptotic, and hence do not enjoy the aforementioned broad applicability of asymptotic confidence intervals. Our work bridges the gap by giving a definition for "asymptotic CSs", and deriving a universal asymptotic CS that requires only weak CLT-like assumptions. While the CLT approximates the distribution of a sample average by that of a Gaussian at a fixed sample size, we use strong invariance principles (stemming from the seminal 1960s work of Strassen and improvements by Koml\'os, Major, and Tusn\'ady) to uniformly approximate the entire sample average process by an implicit Gaussian process. As an illustration of our theory, we derive asymptotic CSs for the average treatment effect using efficient estimators in observational studies (for which no nonasymptotic bounds can exist even in the fixed-time regime) as well as randomized experiments, enabling causal inference that can be continuously monitored and adaptively stopped.

We study the problem of enumerating Tarski fixed points, focusing on the relational lattices of equivalences, quasiorders and binary relations. We present a polynomial space enumeration algorithm for Tarski fixed points on these lattices and other lattices of polynomial height. It achieves polynomial delay when enumerating fixed points of increasing isotone maps on all three lattices, as well as decreasing isotone maps on the lattice of binary relations. In those cases in which the enumeration algorithm does not guarantee polynomial delay on the three relational lattices on the other hand, we prove exponential lower bounds for deciding the existence of three fixed points when the isotone map is given as an oracle, and that it is NP-hard to find three or more Tarski fixed points. More generally, we show that any deterministic or bounded-error randomized algorithm must perform a number of queries asymptotically at least as large as the lattice width to decide the existence of three fixed points when the isotone map is given as an oracle. Finally, we demonstrate that our findings yield a polynomial delay and space algorithm for listing bisimulations and instances of some related models of behavioral or role equivalence.

We provide a non-unit disk framework to solve combinatorial optimization problems such as Maximum Cut (Max-Cut) and Maximum Independent Set (MIS) on a Rydberg quantum annealer. Our setup consists of a many-body interacting Rydberg system where locally controllable light shifts are applied to individual qubits in order to map the graph problem onto the Ising spin model. Exploiting the flexibility that optical tweezers offer in terms of spatial arrangement, our numerical simulations implement the local-detuning protocol while globally driving the Rydberg annealer to the desired many-body ground state, which is also the solution to the optimization problem. Using optimal control methods, these solutions are obtained for prototype graphs with varying sizes at time scales well within the system lifetime and with approximation ratios close to one. The non-blockade approach facilitates the encoding of graph problems with specific topologies that can be realized in two-dimensional Rydberg configurations and is applicable to both unweighted as well as weighted graphs. A comparative analysis with fast simulated annealing is provided which highlights the advantages of our scheme in terms of system size, hardness of the graph, and the number of iterations required to converge to the solution.

Matrices are built and designed by applying procedures from lower order matrices. Matrix tensor products, direct sums or multiplication of matrices are such procedures and a matrix built from these is said to be a {\em separable} matrix. A {\em non-separable} matrix is a matrix which is not separable and is often referred to as {\em an entangled matrix}. The matrices built may retain properties of the lower order matrices or may also acquire new desired properties not inherent in the constituents. Here design methods for non-separable matrices of required types are derived. These can retain properties of lower order matrices or have new desirable properties. Infinite series of required non-separable matrices are constructible by the general methods. Non-separable matrices are required for applications and other uses; they can capture the structure in a unique way and thus perform much better than separable matrices. General new methods are developed with which to construct {\em multidimensional entangled paraunitary matrices}; these have applications for wavelet and filter bank design. The constructions are in addition used to design new systems of non-separable unitary matrices; these have applications in quantum information theory. Some consequences include the design of full diversity constellations of unitary matrices, which are used in MIMO systems, and methods to design infinite series of special types of Hadamard matrices.