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Physics-informed neural networks have emerged as an alternative method for solving partial differential equations. However, for complex problems, the training of such networks can still require high-fidelity data which can be expensive to generate. To reduce or even eliminate the dependency on high-fidelity data, we propose a novel multi-fidelity architecture which is based on a feature space shared by the low- and high-fidelity solutions. In the feature space, the projections of the low-fidelity and high-fidelity solutions are adjacent by constraining their relative distance. The feature space is represented with an encoder and its mapping to the original solution space is effected through a decoder. The proposed multi-fidelity approach is validated on forward and inverse problems for steady and unsteady problems described by partial differential equations.

Deep neural networks (DNN) have outstanding performance in various applications. Despite numerous efforts of the research community, out-of-distribution (OOD) samples remain a significant limitation of DNN classifiers. The ability to identify previously unseen inputs as novel is crucial in safety-critical applications such as self-driving cars, unmanned aerial vehicles, and robots. Existing approaches to detect OOD samples treat a DNN as a black box and evaluate the confidence score of the output predictions. Unfortunately, this method frequently fails, because DNNs are not trained to reduce their confidence for OOD inputs. In this work, we introduce a novel method for OOD detection. Our method is motivated by theoretical analysis of neuron activation patterns (NAP) in ReLU-based architectures. The proposed method does not introduce a high computational overhead due to the binary representation of the activation patterns extracted from convolutional layers. The extensive empirical evaluation proves its high performance on various DNN architectures and seven image datasets.

In this article, we study Euler characteristic techniques in topological data analysis. Pointwise computing the Euler characteristic of a family of simplicial complexes built from data gives rise to the so-called Euler characteristic profile. We show that this simple descriptor achieve state-of-the-art performance in supervised tasks at a very low computational cost. Inspired by signal analysis, we compute hybrid transforms of Euler characteristic profiles. These integral transforms mix Euler characteristic techniques with Lebesgue integration to provide highly efficient compressors of topological signals. As a consequence, they show remarkable performances in unsupervised settings. On the qualitative side, we provide numerous heuristics on the topological and geometric information captured by Euler profiles and their hybrid transforms. Finally, we prove stability results for these descriptors as well as asymptotic guarantees in random settings.

Discrete latent variables are considered important for real world data, which has motivated research on Variational Autoencoders (VAEs) with discrete latents. However, standard VAE training is not possible in this case, which has motivated different strategies to manipulate discrete distributions in order to train discrete VAEs similarly to conventional ones. Here we ask if it is also possible to keep the discrete nature of the latents fully intact by applying a direct discrete optimization for the encoding model. The approach is consequently strongly diverting from standard VAE-training by sidestepping sampling approximation, reparameterization trick and amortization. Discrete optimization is realized in a variational setting using truncated posteriors in conjunction with evolutionary algorithms. For VAEs with binary latents, we (A) show how such a discrete variational method ties into gradient ascent for network weights, and (B) how the decoder is used to select latent states for training. Conventional amortized training is more efficient and applicable to large neural networks. However, using smaller networks, we here find direct discrete optimization to be efficiently scalable to hundreds of latents. More importantly, we find the effectiveness of direct optimization to be highly competitive in `zero-shot' learning. In contrast to large supervised networks, the here investigated VAEs can, e.g., denoise a single image without previous training on clean data and/or training on large image datasets. More generally, the studied approach shows that training of VAEs is indeed possible without sampling-based approximation and reparameterization, which may be interesting for the analysis of VAE-training in general. For `zero-shot' settings a direct optimization, furthermore, makes VAEs competitive where they have previously been outperformed by non-generative approaches.

We consider high-dimensional MIMO transmissions in frequency division duplexing (FDD) systems. For precoding, the frequency selective channel has to be measured, quantized and fed back to the base station by the users. When the number of antennas is very high this typically leads to prohibitively high quantization complexity and large feedback. In 5G New Radio (NR), a modular quantization approach has been applied for this, where first a low-dimensional subspace is identified for the whole frequency selective channel, and then subband channels are linearly mapped to this subspace and quantized. We analyze how the components in such a modular scheme contribute to the overall quantization distortion. Based on this analysis we improve the technology components in the modular approach and propose an orthonormalized wideband precoding scheme and a sequential wideband precoding approach which provide considerable gains over the conventional method. We compare the performance of the developed quantization schemes to prior art by simulations in terms of the projection distortion, overall distortion and spectral efficiency, in a scenario with a realistic spatial channel model.

In this paper, we consider distributed optimization problems where $n$ agents, each possessing a local cost function, collaboratively minimize the average of the local cost functions over a connected network. To solve the problem, we propose a distributed random reshuffling (D-RR) algorithm that invokes the random reshuffling (RR) update in each agent. We show that D-RR inherits favorable characteristics of RR for both smooth strongly convex and smooth nonconvex objective functions. In particular, for smooth strongly convex objective functions, D-RR achieves $\mathcal{O}(1/T^2)$ rate of convergence (where $T$ counts epoch number) in terms of the squared distance between the iterate and the global minimizer. When the objective function is assumed to be smooth nonconvex, we show that D-RR drives the squared norm of gradient to $0$ at a rate of $\mathcal{O}(1/T^{2/3})$. These convergence results match those of centralized RR (up to constant factors) and outperform the distributed stochastic gradient descent (DSGD) algorithm if we run a relatively large number of epochs. Finally, we conduct a set of numerical experiments to illustrate the efficiency of the proposed D-RR method on both strongly convex and nonconvex distributed optimization problems.

Efficient and accurate estimation of multivariate empirical probability distributions is fundamental to the calculation of information-theoretic measures such as mutual information and transfer entropy. Common techniques include variations on histogram estimation which, whilst computationally efficient, are often unable to precisely capture the probability density of samples with high correlation, kurtosis or fine substructure, especially when sample sizes are small. Adaptive partitions, which adjust heuristically to the sample, can reduce the bias imparted from the geometry of the histogram itself, but these have commonly focused on the location, scale and granularity of the partition, the effects of which are limited for highly correlated distributions. In this paper, I reformulate the differential entropy estimator for the special case of an equiprobable histogram, using a k-d tree to partition the sample space into bins of equal probability mass. By doing so, I expose an implicit rotational orientation parameter, which is conjectured to be suboptimally specified in the typical marginal alignment. I propose that the optimal orientation minimises the variance of the bin volumes, and demonstrate that improved entropy estimates can be obtained by rotationally aligning the partition to the sample distribution accordingly. Such optimal partitions are observed to be more accurate than existing techniques in estimating entropies of correlated bivariate Gaussian distributions with known theoretical values, across varying sample sizes (99% CI).

This paper deals with speeding up the convergence of a class of two-step iterative methods for solving linear systems of equations. To implement the acceleration technique, the residual norm associated with computed approximations for each sub-iterate is minimized over a certain two-dimensional subspace. Convergence properties of the proposed method are studied in detail. The approach is further developed to solve (regularized) normal equations arising from the discretization of ill-posed problems. The results of numerical experiments are reported to illustrate the performance of exact and inexact variants of the method for some test problems.

Knowledge graph embedding (KGE) that maps entities and relations into vector representations is essential for downstream tasks. Conventional KGE methods require relatively high-dimensional entity representations to preserve the structural information of knowledge graph, but lead to oversized model parameters. Recent methods reduce model parameters by adopting low-dimensional entity representations, while developing techniques (e.g., knowledge distillation) to compensate for the reduced dimension. However, such operations produce degraded model accuracy and limited reduction of model parameters. Specifically, we view the concatenation of all entity representations as an embedding layer, and then conventional KGE methods that adopt high-dimensional entity representations equal to enlarging the width of the embedding layer to gain expressiveness. To achieve parameter efficiency without sacrificing accuracy, we instead increase the depth and propose a deeper embedding network for entity representations, i.e., a narrow embedding layer and a multi-layer dimension lifting network (LiftNet). Experiments on three public datasets show that the proposed method (implemented based on TransE and DistMult) with 4-dimensional entity representations achieves more accurate link prediction results than counterpart parameter-efficient KGE methods and strong KGE baselines, including TransE and DistMult with 512-dimensional entity representations.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.