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Manifold learning flows are a class of generative modelling techniques that assume a low-dimensional manifold description of the data. The embedding of such a manifold into the high-dimensional space of the data is achieved via learnable invertible transformations. Therefore, once the manifold is properly aligned via a reconstruction loss, the probability density is tractable on the manifold and maximum likelihood can be used to optimize the network parameters. Naturally, the lower-dimensional representation of the data requires an injective-mapping. Recent approaches were able to enforce that the density aligns with the modelled manifold, while efficiently calculating the density volume-change term when embedding to the higher-dimensional space. However, unless the injective-mapping is analytically predefined, the learned manifold is not necessarily an efficient representation of the data. Namely, the latent dimensions of such models frequently learn an entangled intrinsic basis, with degenerate information being stored in each dimension. Alternatively, if a locally orthogonal and/or sparse basis is to be learned, here coined canonical intrinsic basis, it can serve in learning a more compact latent space representation. Toward this end, we propose a canonical manifold learning flow method, where a novel optimization objective enforces the transformation matrix to have few prominent and non-degenerate basis functions. We demonstrate that by minimizing the off-diagonal manifold metric elements $\ell_1$-norm, we can achieve such a basis, which is simultaneously sparse and/or orthogonal. Canonical manifold flow yields a more efficient use of the latent space, automatically generating fewer prominent and distinct dimensions to represent data, and a better approximation of target distributions than other manifold flow methods in most experiments we conducted, resulting in lower FID scores.

Computer model calibration involves using partial and imperfect observations of the real world to learn which values of a model's input parameters lead to outputs that are consistent with real-world observations. When calibrating models with high-dimensional output (e.g. a spatial field), it is common to represent the output as a linear combination of a small set of basis vectors. Often, when trying to calibrate to such output, what is important to the credibility of the model is that key emergent physical phenomena are represented, even if not faithfully or in the right place. In these cases, comparison of model output and data in a linear subspace is inappropriate and will usually lead to poor model calibration. To overcome this, we present kernel-based history matching (KHM), generalising the meaning of the technique sufficiently to be able to project model outputs and observations into a higher-dimensional feature space, where patterns can be compared without their location necessarily being fixed. We develop the technical methodology, present an expert-driven kernel selection algorithm, and then apply the techniques to the calibration of boundary layer clouds for the French climate model IPSL-CM.

We construct and analyze finite element approximations of the Einstein tensor in dimension $N \ge 3$. We focus on the setting where a smooth Riemannian metric tensor $g$ on a polyhedral domain $\Omega \subset \mathbb{R}^N$ has been approximated by a piecewise polynomial metric $g_h$ on a simplicial triangulation $\mathcal{T}$ of $\Omega$ having maximum element diameter $h$. We assume that $g_h$ possesses single-valued tangential-tangential components on every codimension-1 simplex in $\mathcal{T}$. Such a metric is not classically differentiable in general, but it turns out that one can still attribute meaning to its Einstein curvature in a distributional sense. We study the convergence of the distributional Einstein curvature of $g_h$ to the Einstein curvature of $g$ under refinement of the triangulation. We show that in the $H^{-2}(\Omega)$-norm, this convergence takes place at a rate of $O(h^{r+1})$ when $g_h$ is an optimal-order interpolant of $g$ that is piecewise polynomial of degree $r \ge 1$. We provide numerical evidence to support this claim.

Most identification methods of unknown parameters of linear regression equations (LRE) ensure only boundedness of a parametric error in the presence of additive perturbations, which is almost always unacceptable for practical scenarios. In this paper, a new identification law is proposed to overcome this drawback and guarantee asymptotic convergence of the unknown parameters estimation error to zero in case the mentioned additive perturbation meets special averaging conditions. Theoretical results are illustrated by numerical simulations.

Dispersion relation reflects the dependence of wave frequency on its wave vector when the wave passes through certain material. It demonstrates the properties of this material and thus it is critical. However, dispersion relation reconstruction is very time consuming and expensive. To address this bottleneck, we propose in this paper an efficient dispersion relation reconstruction scheme based on global polynomial interpolation for the approximation of 2D photonic band functions. Our method relies on the fact that the band functions are piecewise analytic with respect to the wave vector in the first Brillouin zone. We utilize suitable sampling points in the first Brillouin zone at which we solve the eigenvalue problem involved in the band function calculation, and then employ Lagrange interpolation to approximate the band functions on the whole first Brillouin zone. Numerical results show that our proposed methods can significantly improve the computational efficiency.

Since their initial introduction, score-based diffusion models (SDMs) have been successfully applied to solve a variety of linear inverse problems in finite-dimensional vector spaces due to their ability to efficiently approximate the posterior distribution. However, using SDMs for inverse problems in infinite-dimensional function spaces has only been addressed recently, primarily through methods that learn the unconditional score. While this approach is advantageous for some inverse problems, it is mostly heuristic and involves numerous computationally costly forward operator evaluations during posterior sampling. To address these limitations, we propose a theoretically grounded method for sampling from the posterior of infinite-dimensional Bayesian linear inverse problems based on amortized conditional SDMs. In particular, we prove that one of the most successful approaches for estimating the conditional score in finite dimensions - the conditional denoising estimator - can also be applied in infinite dimensions. A significant part of our analysis is dedicated to demonstrating that extending infinite-dimensional SDMs to the conditional setting requires careful consideration, as the conditional score typically blows up for small times, contrarily to the unconditional score. We conclude by presenting stylized and large-scale numerical examples that validate our approach, offer additional insights, and demonstrate that our method enables large-scale, discretization-invariant Bayesian inference.

We give improved algorithms for maintaining edge-orientations of a fully-dynamic graph, such that the maximum out-degree is bounded. On one hand, we show how to orient the edges such that maximum out-degree is proportional to the arboricity $\alpha$ of the graph, in, either, an amortised update time of $O(\log^2 n \log \alpha)$, or a worst-case update time of $O(\log^3 n \log \alpha)$. On the other hand, motivated by applications including dynamic maximal matching, we obtain a different trade-off. Namely, the improved update time of either $O(\log n \log \alpha)$, amortised, or $O(\log ^2 n \log \alpha)$, worst-case, for the problem of maintaining an edge-orientation with at most $O(\alpha + \log n)$ out-edges per vertex. Finally, all of our algorithms naturally limit the recourse to be polylogarithmic in $n$ and $\alpha$. Our algorithms adapt to the current arboricity of the graph. Moreover, further analysis shows that they can yield a $(1 + \varepsilon)$-approximation of the arboricity or the subgraph density at the cost of increased update time.

A geometric representation for multivariate extremes, based on the shapes of scaled sample clouds in light-tailed margins and their so-called limit sets, has recently been shown to connect several existing extremal dependence concepts. However, these results are purely probabilistic, and the geometric approach itself has not been fully exploited for statistical inference. We outline a method for parametric estimation of the limit set shape, which includes a useful non/semi-parametric estimate as a pre-processing step. More fundamentally, our approach provides a new class of asymptotically-motivated statistical models for the tails of multivariate distributions, and such models can accommodate any combination of simultaneous or non-simultaneous extremes through appropriate parametric forms for the limit set shape. Extrapolation further into the tail of the distribution is possible via simulation from the fitted model. A simulation study confirms that our methodology is very competitive with existing approaches, and can successfully allow estimation of small probabilities in regions where other methods struggle. We apply the methodology to two environmental datasets, with diagnostics demonstrating a good fit.

Uniform continuity bounds on entropies are generally expressed in terms of a single distance measure between a pair of probability distributions or quantum states, typically, the total variation distance or trace distance. However, if an additional distance measure between the probability distributions or states is known, then the continuity bounds can be significantly strengthened. Here, we prove a tight uniform continuity bound for the Shannon entropy in terms of both the local- and total variation distances, sharpening an inequality proven in [I. Sason, IEEE Trans. Inf. Th., 59, 7118 (2013)]. We also obtain a uniform continuity bound for the von Neumann entropy in terms of both the operator norm- and trace distances. The bound is tight when the quotient of the trace distance by the operator norm distance is an integer. We then apply our results to compute upper bounds on the quantum- and private classical capacities of channels. We begin by refining the concept of approximate degradable channels, namely, $\varepsilon$-degradable channels, which are, by definition, $\varepsilon$-close in diamond norm to their complementary channel when composed with a degrading channel. To this end, we introduce the notion of $(\varepsilon,\nu)$-degradable channels; these are $\varepsilon$-degradable channels that are, in addition, $\nu$-close in completely bounded spectral norm to their complementary channel, when composed with the same degrading channel. This allows us to derive improved upper bounds to the quantum- and private classical capacities of such channels. Moreover, these bounds can be further improved by considering certain unstabilized versions of the above norms. We show that upper bounds on the latter can be efficiently expressed as semidefinite programs. We illustrate our results by obtaining a new upper bound on the quantum capacity of the qubit depolarizing channel.

Graph-centric artificial intelligence (graph AI) has achieved remarkable success in modeling interacting systems prevalent in nature, from dynamical systems in biology to particle physics. The increasing heterogeneity of data calls for graph neural architectures that can combine multiple inductive biases. However, combining data from various sources is challenging because appropriate inductive bias may vary by data modality. Multimodal learning methods fuse multiple data modalities while leveraging cross-modal dependencies to address this challenge. Here, we survey 140 studies in graph-centric AI and realize that diverse data types are increasingly brought together using graphs and fed into sophisticated multimodal models. These models stratify into image-, language-, and knowledge-grounded multimodal learning. We put forward an algorithmic blueprint for multimodal graph learning based on this categorization. The blueprint serves as a way to group state-of-the-art architectures that treat multimodal data by choosing appropriately four different components. This effort can pave the way for standardizing the design of sophisticated multimodal architectures for highly complex real-world problems.