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Structural identifiability is an important property of parametric ODE models. When conducting an experiment and inferring the parameter value from the time-series data, we want to know if the value is globally, locally, or non-identifiable. Global identifiability of the parameter indicates that there exists only one possible solution to the inference problem, local identifiability suggests that there could be several (but finitely many) possibilities, while non-identifiability implies that there are infinitely many possibilities for the value. Having this information is useful since, one would, for example, only perform inferences for the parameters which are identifiable. Given the current significance and widespread research conducted in this area, we decided to create a database of linear compartment models and their identifiability results. This facilitates the process of checking theorems and conjectures and drawing conclusions on identifiability. By only storing models up to symmetries and isomorphisms, we optimize memory efficiency and reduce query time. We conclude by applying our database to real problems. We tested a conjecture about deleting one leak of the model states in the paper 'Linear compartmental models: Input-output equations and operations that preserve identifiability' by E. Gross et al., and managed to produce a counterexample. We also compute some interesting statistics related to the identifiability of linear compartment model parameters.

We derive the Alternating-Direction Implicit (ADI) method based on a commuting operator split and apply the results to the continuous time algebraic Lyapunov equation with low-rank constant term and approximate solution. Previously, it has been mandatory to start the low-rank ADI (LR-ADI) with an all-zero initial value. Our approach retains the known efficient iteration schemes of low-rank increments and residual to arbitrary low-rank initial values for the LR-ADI method. We further generalize some of the known properties of the LR-ADI for Lyapunov equations to larger classes of algorithms or problems. We investigate the performance of arbitrary initial values using two outer iterations in which LR-ADI is typically called. First, we solve an algebraic Riccati equation with the Newton method. Second, we solve a differential Riccati equation with a first-order Rosenbrock method. Numerical experiments confirm that the proposed new initial value of the alternating-directions implicit (ADI) can lead to a significant reduction in the total number of ADI steps, while also showing a 17% and 8x speed-up over the zero initial value for the two equation types, respectively.

Learning tasks play an increasingly prominent role in quantum information and computation. They range from fundamental problems such as state discrimination and metrology over the framework of quantum probably approximately correct (PAC) learning, to the recently proposed shadow variants of state tomography. However, the many directions of quantum learning theory have so far evolved separately. We propose a general mathematical formalism for describing quantum learning by training on classical-quantum data and then testing how well the learned hypothesis generalizes to new data. In this framework, we prove bounds on the expected generalization error of a quantum learner in terms of classical and quantum information-theoretic quantities measuring how strongly the learner's hypothesis depends on the specific data seen during training. To achieve this, we use tools from quantum optimal transport and quantum concentration inequalities to establish non-commutative versions of decoupling lemmas that underlie recent information-theoretic generalization bounds for classical machine learning. Our framework encompasses and gives intuitively accessible generalization bounds for a variety of quantum learning scenarios such as quantum state discrimination, PAC learning quantum states, quantum parameter estimation, and quantumly PAC learning classical functions. Thereby, our work lays a foundation for a unifying quantum information-theoretic perspective on quantum learning.

We propose a scalable variational Bayes method for statistical inference for a single or low-dimensional subset of the coordinates of a high-dimensional parameter in sparse linear regression. Our approach relies on assigning a mean-field approximation to the nuisance coordinates and carefully modelling the conditional distribution of the target given the nuisance. This requires only a preprocessing step and preserves the computational advantages of mean-field variational Bayes, while ensuring accurate and reliable inference for the target parameter, including for uncertainty quantification. We investigate the numerical performance of our algorithm, showing that it performs competitively with existing methods. We further establish accompanying theoretical guarantees for estimation and uncertainty quantification in the form of a Bernstein--von Mises theorem.

Close to the origin, the nonlinear Klein--Gordon equations on the circle are nearly integrable Hamiltonian systems which have infinitely many almost conserved quantities called harmonic actions or super-actions. We prove that, at low regularity and with a CFL number of size 1, this property is preserved if we discretize the nonlinear Klein--Gordon equations with the symplectic mollified impulse methods. This extends previous results of D. Cohen, E. Hairer and C. Lubich to non-smooth solutions.

The statistical modeling of discrete extremes has received less attention than their continuous counterparts in the Extreme Value Theory (EVT) literature. One approach to the transition from continuous to discrete extremes is the modeling of threshold exceedances of integer random variables by the discrete version of the generalized Pareto distribution. However, the optimal choice of thresholds defining exceedances remains a problematic issue. Moreover, in a regression framework, the treatment of the majority of non-extreme data below the selected threshold is either ignored or separated from the extremes. To tackle these issues, we expand on the concept of employing a smooth transition between the bulk and the upper tail of the distribution. In the case of zero inflation, we also develop models with an additional parameter. To incorporate possible predictors, we relate the parameters to additive smoothed predictors via an appropriate link, as in the generalized additive model (GAM) framework. A penalized maximum likelihood estimation procedure is implemented. We illustrate our modeling proposal with a real dataset of avalanche activity in the French Alps. With the advantage of bypassing the threshold selection step, our results indicate that the proposed models are more flexible and robust than competing models, such as the negative binomial distribution

We consider the problem of sampling a high dimensional multimodal target probability measure. We assume that a good proposal kernel to move only a subset of the degrees of freedoms (also known as collective variables) is known a priori. This proposal kernel can for example be built using normalizing flows. We show how to extend the move from the collective variable space to the full space and how to implement an accept-reject step in order to get a reversible chain with respect to a target probability measure. The accept-reject step does not require to know the marginal of the original measure in the collective variable (namely to know the free energy). The obtained algorithm admits several variants, some of them being very close to methods which have been proposed previously in the literature. We show how the obtained acceptance ratio can be expressed in terms of the work which appears in the Jarzynski-Crooks equality, at least for some variants. Numerical illustrations demonstrate the efficiency of the approach on various simple test cases, and allow us to compare the variants of the algorithm.

For the fractional Laplacian of variable order, an efficient and accurate numerical evaluation in multi-dimension is a challenge for the nature of a singular integral. We propose a simple and easy-to-implement finite difference scheme for the multi-dimensional variable-order fractional Laplacian defined by a hypersingular integral. We prove that the scheme is of second-order convergence and apply the developed finite difference scheme to solve various equations with the variable-order fractional Laplacian. We present a fast solver with quasi-linear complexity of the scheme for computing variable-order fractional Laplacian and corresponding PDEs. Several numerical examples demonstrate the accuracy and efficiency of our algorithm and verify our theory.

We propose a novel and simple spectral method based on the semi-discrete Fourier transforms to discretize the fractional Laplacian $(-\Delta)^\frac{\alpha}{2}$. Numerical analysis and experiments are provided to study its performance. Our method has the same symbol $|\boldsymbol\xi|^\alpha$ as the fractional Laplacian $(-\Delta)^\frac{\alpha}{2}$ at the discrete level, and thus it can be viewed as the exact discrete analogue of the fractional Laplacian. This {\it unique feature} distinguishes our method from other existing methods for the fractional Laplacian. Note that our method is different from the Fourier pseudospectral methods in the literature which are usually limited to periodic boundary conditions (see Remark \ref{remark0}). Numerical analysis shows that our method can achieve a spectral accuracy. The stability and convergence of our method in solving the fractional Poisson equations were analyzed. Our scheme yields a multilevel Toeplitz stiffness matrix, and thus fast algorithms can be developed for efficient matrix-vector multiplications. The computational complexity is ${\mathcal O}(2N\log(2N))$, and the memory storage is ${\mathcal O}(N)$ with $N$ the total number of points. Extensive numerical experiments verify our analytical results and demonstrate the effectiveness of our method in solving various problems.

Using probabilistic methods, we obtain grid-drawings of graphs without crossings with low volume and small aspect ratio. We show that every $D$-degenerate graph on $n$ vertices can be drawn in $[m]^3$ where $m^3 = O(D^2 n\log n)$. In particular, every graph of bounded maximum degree can be drawn in a grid with volume $O(n \log n)$.