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Marc Sebban

Publications and source records attributed to Marc Sebban.

At least 19 recordsLinked to original sources

On the post-hoc Evaluation of PDE Discovery: A Multifaceted Challenge of Scientific Advancement

Partial differential equation (PDE) discovery aims to identify from data the governing law of a physical system. Constituting a cornerstone of scientific advancement, it has become during the past decade a major line of research in the rapidly evolving field of Physics-informed Machine Learning (PiML). Among the remaining open problems to address in this domain, the post-hoc evaluation of discovered PDEs raises the particular difficulty of being multifaceted. Indeed, it requires jointly considering predictive accuracy, physical consistency, interpretability, and out-of-distribution generalization capacity. Given that some of these properties are conflicting, it is worth noting that the wide range of existing evaluation metrics only partially address the overall problem, potentially leading to overly interpreted conclusions about the validity of a presumed new physical theory. From an abundant literature spanning machine learning, numerical analysis, information theory or symbolic regression, we propose, to our knowledge, the first taxonomy of PDE evaluation metrics, and discuss their advantages and limitations in depth. Based on the observation that evaluation is often achieved on a case-by-case basis and that a universally accepted methodology remains elusive, we further provide recommendations with the aim of promoting standardized and reliable practices, before sketching promising future lines of research in this field. We argue that this paper is intended both for ML experts who design new PDE discovery algorithms and for users of these methods aiming, in real applications, to discover and validate well-founded scientific laws.

cs.LG

Unrolled-SINDy: A Stable Explicit Method for Non linear PDE Discovery from Sparsely Sampled Data

Identifying from observation data the governing differential equations of a physical dynamics is a key challenge in machine learning. Although approaches based on SINDy have shown great promise in this area, they still fail to address a whole class of real world problems where the data is sparsely sampled in time. In this article, we introduce Unrolled-SINDy, a simple methodology that leverages an unrolling scheme to improve the stability of explicit methods for PDE discovery. By decorrelating the numerical time step size from the sampling rate of the available data, our approach enables the recovery of equation parameters that would not be the minimizers of the original SINDy optimization problem due to large local truncation errors. Our method can be exploited either through an iterative closed-form approach or by a gradient descent scheme. Experiments show the versatility of our method. On both traditional SINDy and state-of-the-art noise-robust iNeuralSINDy, with different numerical schemes (Euler, RK4), our proposed unrolling scheme allows to tackle problems not accessible to non-unrolled methods.

cs.LG

Photonic Learning in Ultrafast Laser-Induced Complexity

How can one design complex systems capable of learning for a given functionality? In the context of ultrafast laser-surface interaction, we unravel the nature of learning schemes tied to the emergence of complexity in dissipative structures. The progressive development of learning mechanisms, from direct information storage to the development of smart surfaces, originates from the network of curvatures formed in the unstable fluid under thermoconvective instability, which is subsequently quenched and resolidified. Under pulsed laser irradiation, non-equilibrium dynamics generate intricate nanoscale patterns, unveiling adaptive process mechanisms. We demonstrate that the imprints left by light act as a form of structural memory, encoding not only local effects directed by laser field polarization but also a cooperative strategy of reliefs that dynamically adjust surface morphology to optimize light capture. By investigating how apparent complexity and optical response are intricately intertwined, shaping one another, we establish a framework that draws parallels between material adaptation and learning dynamics observed in biological systems.

physics.optics

M\'ethode de quadrature pour les PINNs fond\'ee th\'eoriquement sur la hessienne des r\'esiduels

Physics-informed Neural Networks (PINNs) have emerged as an efficient way to learn surrogate neural solvers of PDEs by embedding the physical model in the loss function and minimizing its residuals using automatic differentiation at so-called collocation points. Originally uniformly sampled, the choice of the latter has been the subject of recent advances leading to adaptive sampling refinements. In this paper, we propose a new quadrature method for approximating definite integrals based on the hessian of the considered function, and that we leverage to guide the selection of the collocation points during the training process of PINNs.

cs.LG

Provably Accurate Adaptive Sampling for Collocation Points in Physics-informed Neural Networks

Despite considerable scientific advances in numerical simulation, efficiently solving PDEs remains a complex and often expensive problem. Physics-informed Neural Networks (PINN) have emerged as an efficient way to learn surrogate solvers by embedding the PDE in the loss function and minimizing its residuals using automatic differentiation at so-called collocation points. Originally uniformly sampled, the choice of the latter has been the subject of recent advances leading to adaptive sampling refinements for PINNs. In this paper, leveraging a new quadrature method for approximating definite integrals, we introduce a provably accurate sampling method for collocation points based on the Hessian of the PDE residuals. Comparative experiments conducted on a set of 1D and 2D PDEs demonstrate the benefits of our method.

cs.LG

Learning complexity to guide light-induced self-organized nanopatterns

Ultrafast laser irradiation can induce spontaneous self-organization of surfaces into dissipative structures with nanoscale reliefs. These surface patterns emerge from symmetry-breaking dynamical processes that occur in Rayleigh-B\'enard-like instabilities. In this study, we demonstrate that the coexistence and competition between surface patterns of different symmetries in two dimensions can be numerically unraveled using the stochastic generalized Swift-Hohenberg model. We originally propose a deep convolutional network to identify and learn the dominant modes that stabilize for a given bifurcation and quadratic model coefficients. The model is scale-invariant and has been calibrated on microscopy measurements using a physics-guided machine learning strategy. Our approach enables the identification of experimental irradiation conditions for a desired self-organization pattern. It can be applied generally to predict structure formation in situations where the underlying physics can be approximately described by a self-organization process and data is sparse and non-time series. Our work paves the way for supervised local manipulation of matter using timely-controlled optical fields in laser manufacturing.

cond-mat.mtrl-sci

Fast Multiscale Diffusion on Graphs

Diffusing a graph signal at multiple scales requires computing the action of the exponential of several multiples of the Laplacian matrix. We tighten a bound on the approximation error of truncated Chebyshev polynomial approximations of the exponential, hence significantly improving a priori estimates of the polynomial order for a prescribed error. We further exploit properties of these approximations to factorize the computation of the action of the diffusion operator over multiple scales, thus reducing drastically its computational cost.

eess.SP

A survey on domain adaptation theory: learning bounds and theoretical guarantees

All famous machine learning algorithms that comprise both supervised and semi-supervised learning work well only under a common assumption: the training and test data follow the same distribution. When the distribution changes, most statistical models must be reconstructed from newly collected data, which for some applications can be costly or impossible to obtain. Therefore, it has become necessary to develop approaches that reduce the need and the effort to obtain new labeled samples by exploiting data that are available in related areas, and using these further across similar fields. This has given rise to a new machine learning framework known as transfer learning: a learning setting inspired by the capability of a human being to extrapolate knowledge across tasks to learn more efficiently. Despite a large amount of different transfer learning scenarios, the main objective of this survey is to provide an overview of the state-of-the-art theoretical results in a specific, and arguably the most popular, sub-field of transfer learning, called domain adaptation. In this sub-field, the data distribution is assumed to change across the training and the test data, while the learning task remains the same. We provide a first up-to-date description of existing results related to domain adaptation problem that cover learning bounds based on different statistical learning frameworks.

cs.LG

Metric Learning from Imbalanced Data

A key element of any machine learning algorithm is the use of a function that measures the dis/similarity between data points. Given a task, such a function can be optimized with a metric learning algorithm. Although this research field has received a lot of attention during the past decade, very few approaches have focused on learning a metric in an imbalanced scenario where the number of positive examples is much smaller than the negatives. Here, we address this challenging task by designing a new Mahalanobis metric learning algorithm (IML) which deals with class imbalance. The empirical study performed shows the efficiency of IML.

stat.ML

An Adjusted Nearest Neighbor Algorithm Maximizing the F-Measure from Imbalanced Data

In this paper, we address the challenging problem of learning from imbalanced data using a Nearest-Neighbor (NN) algorithm. In this setting, the minority examples typically belong to the class of interest requiring the optimization of specific criteria, like the F-Measure. Based on simple geometrical ideas, we introduce an algorithm that reweights the distance between a query sample and any positive training example. This leads to a modification of the Voronoi regions and thus of the decision boundaries of the NN algorithm. We provide a theoretical justification about the weighting scheme needed to reduce the False Negative rate while controlling the number of False Positives. We perform an extensive experimental study on many public imbalanced datasets, but also on large scale non public data from the French Ministry of Economy and Finance on a tax fraud detection task, showing that our method is very effective and, interestingly, yields the best performance when combined with state of the art sampling methods.

cs.LG

Learning Landmark-Based Ensembles with Random Fourier Features and Gradient Boosting

We propose a Gradient Boosting algorithm for learning an ensemble of kernel functions adapted to the task at hand. Unlike state-of-the-art Multiple Kernel Learning techniques that make use of a pre-computed dictionary of kernel functions to select from, at each iteration we fit a kernel by approximating it as a weighted sum of Random Fourier Features (RFF) and by optimizing their barycenter. This allows us to obtain a more versatile method, easier to setup and likely to have better performance. Our study builds on a recent result showing one can learn a kernel from RFF by computing the minimum of a PAC-Bayesian bound on the kernel alignment generalization loss, which is obtained efficiently from a closed-form solution. We conduct an experimental analysis to highlight the advantages of our method w.r.t. both Boosting-based and kernel-learning state-of-the-art methods.

stat.ML

L$^3$-SVMs: Landmarks-based Linear Local Support Vectors Machines

For their ability to capture non-linearities in the data and to scale to large training sets, local Support Vector Machines (SVMs) have received a special attention during the past decade. In this paper, we introduce a new local SVM method, called L$^3$-SVMs, which clusters the input space, carries out dimensionality reduction by projecting the data on landmarks, and jointly learns a linear combination of local models. Simple and effective, our algorithm is also theoretically well-founded. Using the framework of Uniform Stability, we show that our SVM formulation comes with generalization guarantees on the true risk. The experiments based on the simplest configuration of our model (i.e. landmarks randomly selected, linear projection, linear kernel) show that L$^3$-SVMs is very competitive w.r.t. the state of the art and opens the door to new exciting lines of research.

stat.ML

Similarity Learning for Time Series Classification

Multivariate time series naturally exist in many fields, like energy, bioinformatics, signal processing, and finance. Most of these applications need to be able to compare these structured data. In this context, dynamic time warping (DTW) is probably the most common comparison measure. However, not much research effort has been put into improving it by learning. In this paper, we propose a novel method for learning similarities based on DTW, in order to improve time series classification. Making use of the uniform stability framework, we provide the first theoretical guarantees in the form of a generalization bound for linear classification. The experimental study shows that the proposed approach is efficient, while yielding sparse classifiers.

cs.LG

Theoretical Analysis of Domain Adaptation with Optimal Transport

Domain adaptation (DA) is an important and emerging field of machine learning that tackles the problem occurring when the distributions of training (source domain) and test (target domain) data are similar but different. Current theoretical results show that the efficiency of DA algorithms depends on their capacity of minimizing the divergence between source and target probability distributions. In this paper, we provide a theoretical study on the advantages that concepts borrowed from optimal transportation theory can bring to DA. In particular, we show that the Wasserstein metric can be used as a divergence measure between distributions to obtain generalization guarantees for three different learning settings: (i) classic DA with unsupervised target data (ii) DA combining source and target labeled data, (iii) multiple source DA. Based on the obtained results, we provide some insights showing when this analysis can be tighter than other existing frameworks.

stat.ML

Lipschitz Continuity of Mahalanobis Distances and Bilinear Forms

Many theoretical results in the machine learning domain stand only for functions that are Lipschitz continuous. Lipschitz continuity is a strong form of continuity that linearly bounds the variations of a function. In this paper, we derive tight Lipschitz constants for two families of metrics: Mahalanobis distances and bounded-space bilinear forms. To our knowledge, this is the first time the Mahalanobis distance is formally proved to be Lipschitz continuous and that such tight Lipschitz constants are derived.

math.NA

Algorithmic Robustness for Learning via $(\epsilon, \gamma, \tau)$-Good Similarity Functions

The notion of metric plays a key role in machine learning problems such as classification, clustering or ranking. However, it is worth noting that there is a severe lack of theoretical guarantees that can be expected on the generalization capacity of the classifier associated to a given metric. The theoretical framework of $(\epsilon, \gamma, \tau)$-good similarity functions (Balcan et al., 2008) has been one of the first attempts to draw a link between the properties of a similarity function and those of a linear classifier making use of it. In this paper, we extend and complete this theory by providing a new generalization bound for the associated classifier based on the algorithmic robustness framework.

cs.LG

Subspace Alignment For Domain Adaptation

In this paper, we introduce a new domain adaptation (DA) algorithm where the source and target domains are represented by subspaces spanned by eigenvectors. Our method seeks a domain invariant feature space by learning a mapping function which aligns the source subspace with the target one. We show that the solution of the corresponding optimization problem can be obtained in a simple closed form, leading to an extremely fast algorithm. We present two approaches to determine the only hyper-parameter in our method corresponding to the size of the subspaces. In the first approach we tune the size of subspaces using a theoretical bound on the stability of the obtained result. In the second approach, we use maximum likelihood estimation to determine the subspace size, which is particularly useful for high dimensional data. Apart from PCA, we propose a subspace creation method that outperform partial least squares (PLS) and linear discriminant analysis (LDA) in domain adaptation. We test our method on various datasets and show that, despite its intrinsic simplicity, it outperforms state of the art DA methods.

cs.CV

A Survey on Metric Learning for Feature Vectors and Structured Data

The need for appropriate ways to measure the distance or similarity between data is ubiquitous in machine learning, pattern recognition and data mining, but handcrafting such good metrics for specific problems is generally difficult. This has led to the emergence of metric learning, which aims at automatically learning a metric from data and has attracted a lot of interest in machine learning and related fields for the past ten years. This survey paper proposes a systematic review of the metric learning literature, highlighting the pros and cons of each approach. We pay particular attention to Mahalanobis distance metric learning, a well-studied and successful framework, but additionally present a wide range of methods that have recently emerged as powerful alternatives, including nonlinear metric learning, similarity learning and local metric learning. Recent trends and extensions, such as semi-supervised metric learning, metric learning for histogram data and the derivation of generalization guarantees, are also covered. Finally, this survey addresses metric learning for structured data, in particular edit distance learning, and attempts to give an overview of the remaining challenges in metric learning for the years to come.

cs.LG