In Hyperparameter Optimization (HPO), only the hyperparameter configuration with the best performance is chosen after performing several trials, then, discarding the effort of training all the models with every hyperparameter configuration trial and performing an ensemble of all them. This ensemble consists of simply averaging the model predictions or weighting the models by a certain probability. Recently, other more sophisticated ensemble strategies, such as the Caruana method or the stacking strategy has been proposed. On the one hand, the Caruana method performs well in HPO ensemble, since it is not affected by the effects of multicollinearity, which is prevalent in HPO. It just computes the average over a subset of predictions with replacement. But it does not benefit from the generalization power of a learning process. On the other hand, stacking methods include a learning procedure since a meta-learner is required to perform the ensemble. Yet, one hardly finds advice about which meta-learner is adequate. Besides, some meta-learners may suffer from the effects of multicollinearity or need to be tuned to reduce them. This paper explores meta-learners for stacking ensemble in HPO, free of hyperparameter tuning, able to reduce the effects of multicollinearity and considering the ensemble learning process generalization power. At this respect, the boosting strategy seems promising as a stacking meta-learner. In fact, it completely removes the effects of multicollinearity. This paper also proposes an implicit regularization in the classical boosting method and a novel non-parametric stop criterion suitable only for boosting and specifically designed for HPO. The synergy between these two improvements over boosting exhibits competitive and promising predictive power performance compared to other existing meta-learners and ensemble approaches for HPO other than the stacking ensemble.
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Modern Artificial Intelligence (AI) systems, especially Deep Learning (DL) models, poses challenges in understanding their inner workings by AI researchers. eXplainable Artificial Intelligence (XAI) inspects internal mechanisms of AI models providing explanations about their decisions. While current XAI research predominantly concentrates on explaining AI systems, there is a growing interest in using XAI techniques to automatically improve the performance of AI systems themselves. This paper proposes a general framework for automatically improving the performance of pre-trained DL classifiers using XAI methods, avoiding the computational overhead associated with retraining complex models from scratch. In particular, we outline the possibility of two different learning strategies for implementing this architecture, which we will call auto-encoder-based and encoder-decoder-based, and discuss their key aspects.
Large-scale applications of Visual Place Recognition (VPR) require computationally efficient approaches. Further, a well-balanced combination of data-based and training-free approaches can decrease the required amount of training data and effort and can reduce the influence of distribution shifts between the training and application phases. This paper proposes a runtime and data-efficient hierarchical VPR pipeline that extends existing approaches and presents novel ideas. There are three main contributions: First, we propose Local Positional Graphs (LPG), a training-free and runtime-efficient approach to encode spatial context information of local image features. LPG can be combined with existing local feature detectors and descriptors and considerably improves the image-matching quality compared to existing techniques in our experiments. Second, we present Attentive Local SPED (ATLAS), an extension of our previous local features approach with an attention module that improves the feature quality while maintaining high data efficiency. The influence of the proposed modifications is evaluated in an extensive ablation study. Third, we present a hierarchical pipeline that exploits hyperdimensional computing to use the same local features as holistic HDC-descriptors for fast candidate selection and for candidate reranking. We combine all contributions in a runtime and data-efficient VPR pipeline that shows benefits over the state-of-the-art method Patch-NetVLAD on a large collection of standard place recognition datasets with 15$\%$ better performance in VPR accuracy, 54$\times$ faster feature comparison speed, and 55$\times$ less descriptor storage occupancy, making our method promising for real-world high-performance large-scale VPR in changing environments. Code will be made available with publication of this paper.
There are now many explainable AI methods for understanding the decisions of a machine learning model. Among these are those based on counterfactual reasoning, which involve simulating features changes and observing the impact on the prediction. This article proposes to view this simulation process as a source of creating a certain amount of knowledge that can be stored to be used, later, in different ways. This process is illustrated in the additive model and, more specifically, in the case of the naive Bayes classifier, whose interesting properties for this purpose are shown.
We investigate a convective Brinkman--Forchheimer problem coupled with a heat transfer equation. The investigated model considers thermal diffusion and viscosity depending on the temperature. We prove the existence of a solution without restriction on the data and uniqueness when the solution is slightly smoother and the data is suitably restricted. We propose a finite element discretization scheme for the considered model and derive convergence results and a priori error estimates. Finally, we illustrate the theory with numerical examples.
Generative diffusion models have achieved spectacular performance in many areas of generative modeling. While the fundamental ideas behind these models come from non-equilibrium physics, variational inference and stochastic calculus, in this paper we show that many aspects of these models can be understood using the tools of equilibrium statistical mechanics. Using this reformulation, we show that generative diffusion models undergo second-order phase transitions corresponding to symmetry breaking phenomena. We show that these phase-transitions are always in a mean-field universality class, as they are the result of a self-consistency condition in the generative dynamics. We argue that the critical instability that arises from the phase transitions lies at the heart of their generative capabilities, which are characterized by a set of mean field critical exponents. Furthermore, using the statistical physics of disordered systems, we show that memorization can be understood as a form of critical condensation corresponding to a disordered phase transition. Finally, we show that the dynamic equation of the generative process can be interpreted as a stochastic adiabatic transformation that minimizes the free energy while keeping the system in thermal equilibrium.
Confidence intervals based on the central limit theorem (CLT) are a cornerstone of classical statistics. Despite being only asymptotically valid, they are ubiquitous because they permit statistical inference under weak assumptions and can often be applied to problems even when nonasymptotic inference is impossible. This paper introduces time-uniform analogues of such asymptotic confidence intervals, adding to the literature on confidence sequences (CS) -- sequences of confidence intervals that are uniformly valid over time -- which provide valid inference at arbitrary stopping times and incur no penalties for "peeking" at the data, unlike classical confidence intervals which require the sample size to be fixed in advance. Existing CSs in the literature are nonasymptotic, enjoying finite-sample guarantees but not the aforementioned broad applicability of asymptotic confidence intervals. This work provides a definition for "asymptotic CSs" and a general recipe for deriving them. Asymptotic CSs forgo nonasymptotic validity for CLT-like versatility and (asymptotic) time-uniform guarantees. While the CLT approximates the distribution of a sample average by that of a Gaussian for a fixed sample size, we use strong invariance principles (stemming from the seminal 1960s work of Strassen) to uniformly approximate the entire sample average process by an implicit Gaussian process. As an illustration, we derive asymptotic CSs for the average treatment effect in observational studies (for which nonasymptotic bounds are essentially impossible to derive even in the fixed-time regime) as well as randomized experiments, enabling causal inference in sequential environments.
Randomized Controlled Trials (RCTs) may suffer from limited scope. In particular, samples may be unrepresentative: some RCTs over- or under- sample individuals with certain characteristics compared to the target population, for which one wants conclusions on treatment effectiveness. Re-weighting trial individuals to match the target population can improve the treatment effect estimation. In this work, we establish the exact expressions of the bias and variance of such reweighting procedures -- also called Inverse Propensity of Sampling Weighting (IPSW) -- in presence of categorical covariates for any sample size. Such results allow us to compare the theoretical performance of different versions of IPSW estimates. Besides, our results show how the performance (bias, variance, and quadratic risk) of IPSW estimates depends on the two sample sizes (RCT and target population). A by-product of our work is the proof of consistency of IPSW estimates. Results also reveal that IPSW performances are improved when the trial probability to be treated is estimated (rather than using its oracle counterpart). In addition, we study choice of variables: how including covariates that are not necessary for identifiability of the causal effect may impact the asymptotic variance. Including covariates that are shifted between the two samples but not treatment effect modifiers increases the variance while non-shifted but treatment effect modifiers do not. We illustrate all the takeaways in a didactic example, and on a semi-synthetic simulation inspired from critical care medicine.
Reconstructing a dynamic object with affine motion in computerized tomography (CT) leads to motion artifacts if the motion is not taken into account. In most cases, the actual motion is neither known nor can be determined easily. As a consequence, the respective model that describes CT is incomplete. The iterative RESESOP-Kaczmarz method can - under certain conditions and by exploiting the modeling error - reconstruct dynamic objects at different time points even if the exact motion is unknown. However, the method is very time-consuming. To speed the reconstruction process up and obtain better results, we combine the following three steps: 1. RESESOP-Kacmarz with only a few iterations is implemented to reconstruct the object at different time points. 2. The motion is estimated via landmark detection, e.g. using deep learning. 3. The estimated motion is integrated into the reconstruction process, allowing the use of dynamic filtered backprojection. We give a short review of all methods involved and present numerical results as a proof of principle.
We propose an implicit Discontinuous Galerkin (DG) discretization for incompressible two-phase flows using an artificial compressibility formulation. The conservative level set (CLS) method is employed in combination with a reinitialization procedure to capture the moving interface. A projection method based on the L-stable TR-BDF2 method is adopted for the time discretization of the Navier-Stokes equations and of the level set method. Adaptive Mesh Refinement (AMR) is employed to enhance the resolution in correspondence of the interface between the two fluids. The effectiveness of the proposed approach is shown in a number of classical benchmarks. A specific analysis on the influence of different choices of the mixture viscosity is also carried out.
This paper presents asymptotic results for the maximum likelihood and restricted maximum likelihood (REML) estimators within a two-way crossed mixed effect model as the sizes of the rows, columns, and cells tend to infinity. Under very mild conditions which do not require the assumption of normality, the estimators are proven to be asymptotically normal, possessing a structured covariance matrix. The growth rate for the number of rows, columns, and cells is unrestricted, whether considered pairwise or collectively.
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