The efficiency of locally generating unitary designs, which capture statistical notions of quantum pseudorandomness, lies at the heart of wide-ranging areas in physics and quantum information technologies. While there are extensive potent methods and results for this problem, the evidently important setting where continuous symmetries or conservation laws (most notably U(1) and SU(d)) are involved is known to present fundamental difficulties. In particular, even the basic question of whether any local symmetric circuit can generate 2-designs efficiently (in time that grows at most polynomially in the system size) remains open with no circuit constructions provably known to do so, despite intensive efforts. In this work, we resolve this long-standing open problem for both U(1) and SU(d) symmetries by explicitly constructing local symmetric quantum circuits which we prove to converge to symmetric unitary 2-designs in polynomial time using a combination of representation theory, graph theory, and Markov chain methods. As a direct application, our constructions can be used to efficiently generate near-optimal random covariant quantum error-correcting codes, confirming a conjecture in [PRX Quantum 3, 020314 (2022)].
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We consider estimators obtained by iterates of the conjugate gradient (CG) algorithm applied to the normal equation of prototypical statistical inverse problems. Stopping the CG algorithm early induces regularisation, and optimal convergence rates of prediction and reconstruction error are established in wide generality for an ideal oracle stopping time. Based on this insight, a fully data-driven early stopping rule $\tau$ is constructed, which also attains optimal rates, provided the error in estimating the noise level is not dominant. The error analysis of CG under statistical noise is subtle due to its nonlinear dependence on the observations. We provide an explicit error decomposition and identify two terms in the prediction error, which share important properties of classical bias and variance terms. Together with a continuous interpolation between CG iterates, this paves the way for a comprehensive error analysis of early stopping. In particular, a general oracle-type inequality is proved for the prediction error at $\tau$. For bounding the reconstruction error, a more refined probabilistic analysis, based on concentration of self-normalised Gaussian processes, is developed. The methodology also provides some new insights into early stopping for CG in deterministic inverse problems. A numerical study for standard examples shows good results in practice for early stopping at $\tau$.
The sum of quantum computing errors is the key element both for the estimation and control of errors in quantum computing and for its statistical study. In this article we analyze the sum of two independent quantum computing errors, $X_1$ and $X_2$, and we obtain the formula of the variance of the sum of these errors: $$ V(X_1+X_2)=V(X_1)+V(X_2)-\frac{V(X_1)V(X_2)}{2}. $$ We conjecture that this result holds true for general quantum computing errors and we prove the formula for independent isotropic quantum computing errors.
We investigate the proof complexity of systems based on positive branching programs, i.e. non-deterministic branching programs (NBPs) where, for any 0-transition between two nodes, there is also a 1-transition. Positive NBPs compute monotone Boolean functions, just like negation-free circuits or formulas, but constitute a positive version of (non-uniform) NL, rather than P or NC1, respectively. The proof complexity of NBPs was investigated in previous work by Buss, Das and Knop, using extension variables to represent the dag-structure, over a language of (non-deterministic) decision trees, yielding the system eLNDT. Our system eLNDT+ is obtained by restricting their systems to a positive syntax, similarly to how the 'monotone sequent calculus' MLK is obtained from the usual sequent calculus LK by restricting to negation-free formulas. Our main result is that eLNDT+ polynomially simulates eLNDT over positive sequents. Our proof method is inspired by a similar result for MLK by Atserias, Galesi and Pudl\'ak, that was recently improved to a bona fide polynomial simulation via works of Je\v{r}\'abek and Buss, Kabanets, Kolokolova and Kouck\'y. Along the way we formalise several properties of counting functions within eLNDT+ by polynomial-size proofs and, as a case study, give explicit polynomial-size poofs of the propositional pigeonhole principle.
Machine learning interatomic potentials (MLIPs) often neglect long-range interactions, such as electrostatic and dispersion forces. In this work, we introduce a straightforward and efficient method to account for long-range interactions by learning a latent variable from local atomic descriptors and applying an Ewald summation to this variable. We demonstrate that in systems including charged and polar molecular dimers, bulk water, and water-vapor interface, standard short-ranged MLIPs can lead to unphysical predictions even when employing message passing. The long-range models effectively eliminate these artifacts, with only about twice the computational cost of short-range MLIPs.
Gradient boosting for decision tree algorithms are increasingly used in actuarial applications as they show superior predictive performance over traditional generalized linear models. Many improvements and sophistications to the first gradient boosting machine algorithm exist. We present in a unified notation, and contrast, all the existing point and probabilistic gradient boosting for decision tree algorithms: GBM, XGBoost, DART, LightGBM, CatBoost, EGBM, PGBM, XGBoostLSS, cyclic GBM, and NGBoost. In this comprehensive numerical study, we compare their performance on five publicly available datasets for claim frequency and severity, of various size and comprising different number of (high cardinality) categorical variables. We explain how varying exposure-to-risk can be handled with boosting in frequency models. We compare the algorithms on the basis of computational efficiency, predictive performance, and model adequacy. LightGBM and XGBoostLSS win in terms of computational efficiency. The fully interpretable EGBM achieves competitive predictive performance compared to the black box algorithms considered. We find that there is no trade-off between model adequacy and predictive accuracy: both are achievable simultaneously.
We establish a general convergence theory of the Rayleigh--Ritz method and the refined Rayleigh--Ritz method for computing some simple eigenpair $(\lambda_{*},x_{*})$ of a given analytic regular nonlinear eigenvalue problem (NEP). In terms of the deviation $\varepsilon$ of $x_{*}$ from a given subspace $\mathcal{W}$, we establish a priori convergence results on the Ritz value, the Ritz vector and the refined Ritz vector. The results show that, as $\varepsilon\rightarrow 0$, there exists a Ritz value that unconditionally converges to $\lambda_*$ and the corresponding refined Ritz vector does so too but the Ritz vector converges conditionally and it may fail to converge and even may not be unique. We also present an error bound for the approximate eigenvector in terms of the computable residual norm of a given approximate eigenpair, and give lower and upper bounds for the error of the refined Ritz vector and the Ritz vector as well as for that of the corresponding residual norms. These results nontrivially extend some convergence results on these two methods for the linear eigenvalue problem to the NEP. Examples are constructed to illustrate the main results.
We propose a novel methodology to solve a key eigenvalue optimization problem which arises in the contractivity analysis of neural ODEs. When looking at contractivity properties of a one layer weight-tied neural ODE $\dot{u}(t)=\sigma(Au(t)+b)$ (with $u,b \in {\mathbb R}^n$, $A$ is a given $n \times n$ matrix, $\sigma : {\mathbb R} \to {\mathbb R}$ denotes an activation function and for a vector $z \in {\mathbb R}^n$, $\sigma(z) \in {\mathbb R}^n$ has to be interpreted entry-wise), we are led to study the logarithmic norm of a set of products of type $D A$, where $D$ is a diagonal matrix such that ${\mathrm{diag}}(D) \in \sigma'({\mathbb R}^n)$. Specifically, given a real number $c$ (usually $c=0$), the problem consists in finding the largest positive interval $\text{I}\subseteq \mathbb [0,\infty)$ such that the logarithmic norm $\mu(DA) \le c$ for all diagonal matrices $D$ with $D_{ii}\in \text{I}$. We propose a two-level nested methodology: an inner level where, for a given $\text{I}$, we compute an optimizer $D^\star(\text{I})$ by a gradient system approach, and an outer level where we tune $\text{I}$ so that the value $c$ is reached by $\mu(D^\star(\text{I})A)$. We extend the proposed two-level approach to the general multilayer, and possibly time-dependent, case $\dot{u}(t) = \sigma( A_k(t) \ldots \sigma ( A_{1}(t) u(t) + b_{1}(t) ) \ldots + b_{k}(t) )$ and we propose several numerical examples to illustrate its behaviour, including its stabilizing performance on a one-layer neural ODE applied to the classification of the MNIST handwritten digits dataset.
The notion of a non-deterministic logical matrix (where connectives are interpreted as multi-functions) extends the traditional semantics for propositional logics based on logical matrices (where connectives are interpreted as functions). This extension allows for finitely characterizing a much wider class of logics, and has proven decisive in a myriad of recent compositionality results. In this paper we show that the added expressivity brought by non-determinism also has its drawbacks, and in particular that the problem of determining whether two given finite non-deterministic matrices are equivalent, in the sense that they induce the same logic, becomes undecidable. We also discuss some workable sufficient conditions and particular cases, namely regarding rexpansion homomorphisms and bridges to calculi.
Statistical learning under distribution shift is challenging when neither prior knowledge nor fully accessible data from the target distribution is available. Distributionally robust learning (DRL) aims to control the worst-case statistical performance within an uncertainty set of candidate distributions, but how to properly specify the set remains challenging. To enable distributional robustness without being overly conservative, in this paper, we propose a shape-constrained approach to DRL, which incorporates prior information about the way in which the unknown target distribution differs from its estimate. More specifically, we assume the unknown density ratio between the target distribution and its estimate is isotonic with respect to some partial order. At the population level, we provide a solution to the shape-constrained optimization problem that does not involve the isotonic constraint. At the sample level, we provide consistency results for an empirical estimator of the target in a range of different settings. Empirical studies on both synthetic and real data examples demonstrate the improved accuracy of the proposed shape-constrained approach.
We prove, for stably computably enumerable formal systems, direct analogues of the first and second incompleteness theorems of G\"odel. A typical stably computably enumerable set is the set of Diophantine equations with no integer solutions, and in particular such sets are generally not computably enumerable. And so this gives the first extension of the second incompleteness theorem to non classically computable formal systems. Let's motivate this with a somewhat physical application. Let $\mathcal{H} $ be the suitable infinite time limit (stabilization in the sense of the paper) of the mathematical output of humanity, specializing to first order sentences in the language of arithmetic (for simplicity), and understood as a formal system. Suppose that all the relevant physical processes in the formation of $\mathcal{H} $ are Turing computable. Then as defined $\mathcal{H} $ may \emph{not} be computably enumerable, but it is stably computably enumerable. Thus, the classical G\"odel disjunction applied to $\mathcal{H} $ is meaningless, but applying our incompleteness theorems to $\mathcal{H} $ we then get a sharper version of G\"odel's disjunction: assume $\mathcal{H} \vdash PA$ then either $\mathcal{H} $ is not stably computably enumerable or $\mathcal{H} $ is not 1-consistent (in particular is not sound) or $\mathcal{H} $ cannot prove a certain true statement of arithmetic (and cannot disprove it if in addition $\mathcal{H} $ is 2-consistent).
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