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 Mathematical & Statistical Methods


Differentiable Cutting-plane Layers for Mixed-integer Linear Optimization

arXiv.org Machine Learning

We consider the problem of solving a family of parametric mixed-integer linear optimization problems where some entries in the input data change. We introduce the concept of cutting-plane layer (CPL), i.e., a differentiable cutting-plane generator mapping the problem data and previous iterates to cutting planes. We propose a CPL implementation to generate split cuts, and by combining several CPLs, we devise a differentiable cutting-plane algorithm that exploits the repeated nature of parametric instances. In an offline phase, we train our algorithm by updating the internal parameters controlling the CPLs, thus altering cut generation. Once trained, our algorithm computes, with predictable execution times and a fixed number of cuts, solutions with low integrality gaps. Preliminary computational tests show that our algorithm generalizes on unseen instances and captures underlying parametric structures.


TAKDE: Temporal Adaptive Kernel Density Estimator for Real-Time Dynamic Density Estimation

arXiv.org Machine Learning

Real-time density estimation is ubiquitous in many applications, including computer vision and signal processing. Kernel density estimation is arguably one of the most commonly used density estimation techniques, and the use of "sliding window" mechanism adapts kernel density estimators to dynamic processes. In this paper, we derive the asymptotic mean integrated squared error (AMISE) upper bound for the "sliding window" kernel density estimator. This upper bound provides a principled guide to devise a novel estimator, which we name the temporal adaptive kernel density estimator (TAKDE). Compared to heuristic approaches for "sliding window" kernel density estimator, TAKDE is theoretically optimal in terms of the worst-case AMISE. We provide numerical experiments using synthetic and real-world datasets, showing that TAKDE outperforms other state-of-the-art dynamic density estimators (including those outside of kernel family). In particular, TAKDE achieves a superior test log-likelihood with a smaller runtime.


Statistical limits of correlation detection in trees

arXiv.org Machine Learning

In this paper we address the problem of testing whether two observed trees $(t,t')$ are sampled either independently or from a joint distribution under which they are correlated. This problem, which we refer to as correlation detection in trees, plays a key role in the study of graph alignment for two correlated random graphs. Motivated by graph alignment, we investigate the conditions of existence of one-sided tests, i.e. tests which have vanishing type I error and non-vanishing power in the limit of large tree depth. For the correlated Galton-Watson model with Poisson offspring of mean $\lambda>0$ and correlation parameter $s \in (0,1)$, we identify a phase transition in the limit of large degrees at $s = \sqrt{\alpha}$, where $\alpha \sim 0.3383$ is Otter's constant. Namely, we prove that no such test exists for $s \leq \sqrt{\alpha}$, and that such a test exists whenever $s > \sqrt{\alpha}$, for $\lambda$ large enough. This result sheds new light on the graph alignment problem in the sparse regime (with $O(1)$ average node degrees) and on the performance of the MPAlign method studied in Ganassali et al. (2021), Piccioli et al. (2021), proving in particular the conjecture of Piccioli et al. (2021) that MPAlign succeeds in the partial recovery task for correlation parameter $s>\sqrt{\alpha}$ provided the average node degree $\lambda$ is large enough. As a byproduct, we identify a new family of orthogonal polynomials for the Poisson-Galton-Watson measure which enjoy remarkable properties. These polynomials may be of independent interest for a variety of problems involving graphs, trees or branching processes, beyond the scope of graph alignment.


Generative learning for nonlinear dynamics

arXiv.org Artificial Intelligence

Modern generative machine learning models demonstrate surprising ability to create realistic outputs far beyond their training data, such as photorealistic artwork, accurate protein structures, or conversational text. These successes suggest that generative models learn to effectively parametrize and sample arbitrarily complex distributions. Beginning half a century ago, foundational works in nonlinear dynamics used tools from information theory to infer properties of chaotic attractors from time series, motivating the development of algorithms for parametrizing chaos in real datasets. In this perspective, we aim to connect these classical works to emerging themes in large-scale generative statistical learning. We first consider classical attractor reconstruction, which mirrors constraints on latent representations learned by state space models of time series. We next revisit early efforts to use symbolic approximations to compare minimal discrete generators underlying complex processes, a problem relevant to modern efforts to distill and interpret black-box statistical models. Emerging interdisciplinary works bridge nonlinear dynamics and learning theory, such as operator-theoretic methods for complex fluid flows, or detection of broken detailed balance in biological datasets. We anticipate that future machine learning techniques may revisit other classical concepts from nonlinear dynamics, such as transinformation decay and complexity-entropy tradeoffs.


Generative Diffusion Models for Lattice Field Theory

arXiv.org Artificial Intelligence

This study delves into the connection between machine learning and lattice field theory by linking generative diffusion models (DMs) with stochastic quantization, from a stochastic differential equation perspective. We show that DMs can be conceptualized by reversing a stochastic process driven by the Langevin equation, which then produces samples from an initial distribution to approximate the target distribution. In a toy model, we highlight the capability of DMs to learn effective actions. Furthermore, we demonstrate its feasibility to act as a global sampler for generating configurations in the two-dimensional $\phi^4$ quantum lattice field theory.


Enhancing Understanding of Driving Attributes through Quantitative Assessment of Driver Cognition

arXiv.org Artificial Intelligence

This paper presents a novel approach for analysing EEG data from drivers in a simulated driving test. We focused on the Hurst exponent, Shannon entropy, and fractal dimension as markers of the nonlinear dynamics of the brain. The results show significant trends: Shannon Entropy and Fractal Dimension exhibit variations during driving condition transitions, whereas the Hurst exponent reflects memory retention portraying learning patterns. These findings suggest that the tools of Non-linear Dynamical (NLD) Theory as indicators of cognitive state and driving memory changes for assessing driver performance, and advancing the understanding of non-linear dynamics of human cognition in the context of driving and beyond. Our study reveals the potential of NLD tools to elucidate brain state and system variances, enabling their integration into current Deep Learning and Machine Learning models. This integration can extend beyond driving applications and be harnessed for cognitive learning, thereby improving overall productivity and accuracy levels.


Deep Transformed Gaussian Processes

arXiv.org Machine Learning

Transformed Gaussian Processes (TGPs) are stochastic processes specified by transforming samples from the joint distribution from a prior process (typically a GP) using an invertible transformation; increasing the flexibility of the base process. Furthermore, they achieve competitive results compared with Deep Gaussian Processes (DGPs), which are another generalization constructed by a hierarchical concatenation of GPs. In this work, we propose a generalization of TGPs named Deep Transformed Gaussian Processes (DTGPs), which follows the trend of concatenating layers of stochastic processes. More precisely, we obtain a multi-layer model in which each layer is a TGP. This generalization implies an increment of flexibility with respect to both TGPs and DGPs. Exact inference in such a model is intractable. However, we show that one can use variational inference to approximate the required computations yielding a straightforward extension of the popular DSVI inference algorithm Salimbeni et al (2017). The experiments conducted evaluate the proposed novel DTGPs in multiple regression datasets, achieving good scalability and performance.


Degree Heterogeneity in Higher-Order Networks: Inference in the Hypergraph $\boldsymbol{\beta}$-Model

arXiv.org Machine Learning

The $\boldsymbol{\beta}$-model for random graphs is commonly used for representing pairwise interactions in a network with degree heterogeneity. Going beyond pairwise interactions, Stasi et al. (2014) introduced the hypergraph $\boldsymbol{\beta}$-model for capturing degree heterogeneity in networks with higher-order (multi-way) interactions. In this paper we initiate the rigorous study of the hypergraph $\boldsymbol{\beta}$-model with multiple layers, which allows for hyperedges of different sizes across the layers. To begin with, we derive the rates of convergence of the maximum likelihood (ML) estimate and establish their minimax rate optimality. We also derive the limiting distribution of the ML estimate and construct asymptotically valid confidence intervals for the model parameters. Next, we consider the goodness-of-fit problem in the hypergraph $\boldsymbol{\beta}$-model. Specifically, we establish the asymptotic normality of the likelihood ratio (LR) test under the null hypothesis, derive its detection threshold, and also its limiting power at the threshold. Interestingly, the detection threshold of the LR test turns out to be minimax optimal, that is, all tests are asymptotically powerless below this threshold. The theoretical results are further validated in numerical experiments. In addition to developing the theoretical framework for estimation and inference for hypergraph $\boldsymbol{\beta}$-models, the above results fill a number of gaps in the graph $\boldsymbol{\beta}$-model literature, such as the minimax optimality of the ML estimates and the non-null properties of the LR test, which, to the best of our knowledge, have not been studied before.


Information-Theoretic Trust Regions for Stochastic Gradient-Based Optimization

arXiv.org Artificial Intelligence

Stochastic gradient-based optimization is crucial to optimize neural networks. While popular approaches heuristically adapt the step size and direction by rescaling gradients, a more principled approach to improve optimizers requires second-order information. Such methods precondition the gradient using the objective's Hessian. Yet, computing the Hessian is usually expensive and effectively using second-order information in the stochastic gradient setting is non-trivial. We propose using Information-Theoretic Trust Region Optimization (arTuRO) for improved updates with uncertain second-order information. By modeling the network parameters as a Gaussian distribution and using a Kullback-Leibler divergence-based trust region, our approach takes bounded steps accounting for the objective's curvature and uncertainty in the parameters. Before each update, it solves the trust region problem for an optimal step size, resulting in a more stable and faster optimization process. We approximate the diagonal elements of the Hessian from stochastic gradients using a simple recursive least squares approach, constructing a model of the expected Hessian over time using only first-order information. We show that arTuRO combines the fast convergence of adaptive moment-based optimization with the generalization capabilities of SGD.


Machine Learning for Cutting Planes in Integer Programming: A Survey

arXiv.org Artificial Intelligence

We survey recent work on machine learning (ML) techniques for selecting cutting planes (or cuts) in mixed-integer linear programming (MILP). Despite the availability of various classes of cuts, the task of choosing a set of cuts to add to the linear programming (LP) relaxation at a given node of the branch-and-bound (B&B) tree has defied both formal and heuristic solutions to date. ML offers a promising approach for improving the cut selection process by using data to identify promising cuts that accelerate the solution of MILP instances. This paper presents an overview of the topic, highlighting recent advances in the literature, common approaches to data collection, evaluation, and ML model architectures. We analyze the empirical results in the literature in an attempt to quantify the progress that has been made and conclude by suggesting avenues for future research.