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In this paper, we present a toolbox for interval analysis in numpy, with an application to formal verification of neural network controlled systems. Using the notion of natural inclusion functions, we systematically construct interval bounds for a general class of mappings. The toolbox offers efficient computation of natural inclusion functions using compiled C code, as well as a familiar interface in numpy with its canonical features, such as n-dimensional arrays, matrix/vector operations, and vectorization. We then use this toolbox in formal verification of dynamical systems with neural network controllers, through the composition of their inclusion functions.

Nurmuhammad et al. developed Sinc-Nystr\"{o}m methods for initial value problems in which solutions exhibit exponential decay end behavior. In the methods, the Single-Exponential (SE) transformation or the Double-Exponential (DE) transformation is combined with the Sinc approximation. Hara and Okayama improved those transformations so that a better convergence rate could be attained, which was afterward supported by theoretical error analyses. However, due to a special function included in the basis functions, the methods have a drawback for computation. To address this issue, Okayama and Hara proposed Sinc-collocation methods, which do not include any special function in the basis functions. This study gives error analyses for the methods.

We study the structural and statistical properties of $\mathcal{R}$-norm minimizing interpolants of datasets labeled by specific target functions. The $\mathcal{R}$-norm is the basis of an inductive bias for two-layer neural networks, recently introduced to capture the functional effect of controlling the size of network weights, independently of the network width. We find that these interpolants are intrinsically multivariate functions, even when there are ridge functions that fit the data, and also that the $\mathcal{R}$-norm inductive bias is not sufficient for achieving statistically optimal generalization for certain learning problems. Altogether, these results shed new light on an inductive bias that is connected to practical neural network training.

Many real-world decision-making tasks require learning causal relationships between a set of variables. Traditional causal discovery methods, however, require that all variables are observed, which is often not feasible in practical scenarios. Without additional assumptions about the unobserved variables, it is not possible to recover any causal relationships from observational data. Fortunately, in many applied settings, additional structure among the confounders can be expected. In particular, pervasive confounding is commonly encountered and has been utilized for consistent causal estimation in linear causal models. In this paper, we present a provably consistent method to estimate causal relationships in the non-linear, pervasive confounding setting. The core of our procedure relies on the ability to estimate the confounding variation through a simple spectral decomposition of the observed data matrix. We derive a DAG score function based on this insight, prove its consistency in recovering a correct ordering of the DAG, and empirically compare it to previous approaches. We demonstrate improved performance on both simulated and real datasets by explicitly accounting for both confounders and non-linear effects.

Discretization of the uniform norm of functions from a given finite dimensional subspace of continuous functions is studied. Previous known results show that for any $N$-dimensional subspace of the space of continuous functions it is sufficient to use $e^{CN}$ sample points for an accurate upper bound for the uniform norm by the discrete norm and that one cannot improve on the exponential growth of the number of sampling points for a good discretization theorem in the uniform norm. In this paper we focus on two types of results, which allow us to obtain good discretization of the uniform norm with polynomial in $N$ number of points. In the first way we weaken the discretization inequality by allowing a bound of the uniform norm by the discrete norm multiplied by an extra factor, which may depend on $N$. In the second way we impose restrictions on the finite dimensional subspace under consideration. In particular, we prove a general result, which connects the upper bound on the number of sampling points in the discretization theorem for the uniform norm with the best $m$-term bilinear approximation of the Dirichlet kernel associated with the given subspace.

We study the asymptotic generalization of an overparameterized linear model for multiclass classification under the Gaussian covariates bi-level model introduced in Subramanian et al.~'22, where the number of data points, features, and classes all grow together. We fully resolve the conjecture posed in Subramanian et al.~'22, matching the predicted regimes for generalization. Furthermore, our new lower bounds are akin to an information-theoretic strong converse: they establish that the misclassification rate goes to 0 or 1 asymptotically. One surprising consequence of our tight results is that the min-norm interpolating classifier can be asymptotically suboptimal relative to noninterpolating classifiers in the regime where the min-norm interpolating regressor is known to be optimal. The key to our tight analysis is a new variant of the Hanson-Wright inequality which is broadly useful for multiclass problems with sparse labels. As an application, we show that the same type of analysis can be used to analyze the related multilabel classification problem under the same bi-level ensemble.

Most state-of-the-art machine learning techniques revolve around the optimisation of loss functions. Defining appropriate loss functions is therefore critical to successfully solving problems in this field. We present a survey of the most commonly used loss functions for a wide range of different applications, divided into classification, regression, ranking, sample generation and energy based modelling. Overall, we introduce 33 different loss functions and we organise them into an intuitive taxonomy. Each loss function is given a theoretical backing and we describe where it is best used. This survey aims to provide a reference of the most essential loss functions for both beginner and advanced machine learning practitioners.

Knowledge graph embedding (KGE) is a increasingly popular technique that aims to represent entities and relations of knowledge graphs into low-dimensional semantic spaces for a wide spectrum of applications such as link prediction, knowledge reasoning and knowledge completion. In this paper, we provide a systematic review of existing KGE techniques based on representation spaces. Particularly, we build a fine-grained classification to categorise the models based on three mathematical perspectives of the representation spaces: (1) Algebraic perspective, (2) Geometric perspective, and (3) Analytical perspective. We introduce the rigorous definitions of fundamental mathematical spaces before diving into KGE models and their mathematical properties. We further discuss different KGE methods over the three categories, as well as summarise how spatial advantages work over different embedding needs. By collating the experimental results from downstream tasks, we also explore the advantages of mathematical space in different scenarios and the reasons behind them. We further state some promising research directions from a representation space perspective, with which we hope to inspire researchers to design their KGE models as well as their related applications with more consideration of their mathematical space properties.

The generalization mystery in deep learning is the following: Why do over-parameterized neural networks trained with gradient descent (GD) generalize well on real datasets even though they are capable of fitting random datasets of comparable size? Furthermore, from among all solutions that fit the training data, how does GD find one that generalizes well (when such a well-generalizing solution exists)? We argue that the answer to both questions lies in the interaction of the gradients of different examples during training. Intuitively, if the per-example gradients are well-aligned, that is, if they are coherent, then one may expect GD to be (algorithmically) stable, and hence generalize well. We formalize this argument with an easy to compute and interpretable metric for coherence, and show that the metric takes on very different values on real and random datasets for several common vision networks. The theory also explains a number of other phenomena in deep learning, such as why some examples are reliably learned earlier than others, why early stopping works, and why it is possible to learn from noisy labels. Moreover, since the theory provides a causal explanation of how GD finds a well-generalizing solution when one exists, it motivates a class of simple modifications to GD that attenuate memorization and improve generalization. Generalization in deep learning is an extremely broad phenomenon, and therefore, it requires an equally general explanation. We conclude with a survey of alternative lines of attack on this problem, and argue that the proposed approach is the most viable one on this basis.

Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use as a layer in neural networks trained by backpropagation. To address this issue, we propose to smooth the max operator in the dynamic programming recursion, using a strongly convex regularizer. This allows to relax both the optimal value and solution of the original combinatorial problem, and turns a broad class of DP algorithms into differentiable operators. Theoretically, we provide a new probabilistic perspective on backpropagating through these DP operators, and relate them to inference in graphical models. We derive two particular instantiations of our framework, a smoothed Viterbi algorithm for sequence prediction and a smoothed DTW algorithm for time-series alignment. We showcase these instantiations on two structured prediction tasks and on structured and sparse attention for neural machine translation.