Uncertainty
Adaptation Accelerating Sampling-based Bayesian Inference in Attractor Neural Networks
The brain performs probabilistic Bayesian inference to interpret the external world. The sampling-based view assumes that the brain represents the stimulus posterior distribution via samples of stochastic neuronal responses. Although the idea of sampling-based inference is appealing, it faces a critical challenge of whether stochastic sampling is fast enough to match the rapid computation of the brain. In this study, we explore how latent stimulus sampling can be accelerated in neural circuits. Specifically, we consider a canonical neural circuit model called continuous attractor neural networks (CANNs) and investigate how sampling-based inference of latent continuous variables is accelerated in CANNs.
Variational Gaussian Process State-Space Models
State-space models have been successfully used for more than fifty years in different areas of science and engineering. We present a procedure for efficient variational Bayesian learning of nonlinear state-space models based on sparse Gaussian processes. The result of learning is a tractable posterior over nonlinear dynamical systems. In comparison to conventional parametric models, we offer the possibility to straightforwardly trade off model capacity and computational cost whilst avoiding overfitting. Our main algorithm uses a hybrid inference approach combining variational Bayes and sequential Monte Carlo.
Robust Kernel Density Estimation by Scaling and Projection in Hilbert Space
While robust parameter estimation has been well studied in parametric density estimation, there has been little investigation into robust density estimation in the nonparametric setting. We present a robust version of the popular kernel density estimator (KDE). As with other estimators, a robust version of the KDE is useful since sample contamination is a common issue with datasets. What robustness'' means for a nonparametric density estimate is not straightforward and is a topic we explore in this paper. To construct a robust KDE we scale the traditional KDE and project it to its nearest weighted KDE in the L 2 norm.
Mean and Variance Estimation Complexity in Arbitrary Distributions via Wasserstein Minimization
Iverson, Valentio, Vavasis, Stephen
Parameter estimation is a fundamental challenge in machine learning, crucial for tasks such as neural network weight fitting and Bayesian inference. This paper focuses on the complexity of estimating translation $\boldsymbol{\mu} \in \mathbb{R}^l$ and shrinkage $\sigma \in \mathbb{R}_{++}$ parameters for a distribution of the form $\frac{1}{\sigma^l} f_0 \left( \frac{\boldsymbol{x} - \boldsymbol{\mu}}{\sigma} \right)$, where $f_0$ is a known density in $\mathbb{R}^l$ given $n$ samples. We highlight that while the problem is NP-hard for Maximum Likelihood Estimation (MLE), it is possible to obtain $\varepsilon$-approximations for arbitrary $\varepsilon > 0$ within $\text{poly} \left( \frac{1}{\varepsilon} \right)$ time using the Wasserstein distance.
Comparing hundreds of machine learning classifiers and discrete choice models in predicting travel behavior: an empirical benchmark
Wang, Shenhao, Mo, Baichuan, Zheng, Yunhan, Hess, Stephane, Zhao, Jinhua
Numerous studies have compared machine learning (ML) and discrete choice models (DCMs) in predicting travel demand. However, these studies often lack generalizability as they compare models deterministically without considering contextual variations. To address this limitation, our study develops an empirical benchmark by designing a tournament model, thus efficiently summarizing a large number of experiments, quantifying the randomness in model comparisons, and using formal statistical tests to differentiate between the model and contextual effects. This benchmark study compares two large-scale data sources: a database compiled from literature review summarizing 136 experiments from 35 studies, and our own experiment data, encompassing a total of 6,970 experiments from 105 models and 12 model families. This benchmark study yields two key findings. Firstly, many ML models, particularly the ensemble methods and deep learning, statistically outperform the DCM family (i.e., multinomial, nested, and mixed logit models). However, this study also highlights the crucial role of the contextual factors (i.e., data sources, inputs and choice categories), which can explain models' predictive performance more effectively than the differences in model types alone. Model performance varies significantly with data sources, improving with larger sample sizes and lower dimensional alternative sets. After controlling all the model and contextual factors, significant randomness still remains, implying inherent uncertainty in such model comparisons. Overall, we suggest that future researchers shift more focus from context-specific model comparisons towards examining model transferability across contexts and characterizing the inherent uncertainty in ML, thus creating more robust and generalizable next-generation travel demand models.
Robust density estimation over star-shaped density classes
We establish a novel criterion for comparing the performance of two densities, $g_1$ and $g_2$, within the context of corrupted data. Utilizing this criterion, we propose an algorithm to construct a density estimator within a star-shaped density class, $\mathcal{F}$, under conditions of data corruption. We proceed to derive the minimax upper and lower bounds for density estimation across this star-shaped density class, characterized by densities that are uniformly bounded above and below (in the sup norm), in the presence of adversarially corrupted data. Specifically, we assume that a fraction $\epsilon \leq \frac{1}{3}$ of the $N$ observations are arbitrarily corrupted. We obtain the minimax upper bound $\max\{ \tau_{\overline{J}}^2, \epsilon \} \wedge d^2$. Under certain conditions, we obtain the minimax risk, up to proportionality constants, under the squared $L_2$ loss as $$ \max\left\{ \tau^{*2} \wedge d^2, \epsilon \wedge d^2 \right\}, $$ where $\tau^* := \sup\left\{ \tau : N\tau^2 \leq \log \mathcal{M}_{\mathcal{F}}^{\text{loc}}(\tau, c) \right\}$ for a sufficiently large constant $c$. Here, $\mathcal{M}_{\mathcal{F}}^{\text{loc}}(\tau, c)$ denotes the local entropy of the set $\mathcal{F}$, and $d$ is the $L_2$ diameter of $\mathcal{F}$.
Contributions to the Decision Theoretic Foundations of Machine Learning and Robust Statistics under Weakly Structured Information
This habilitation thesis is cumulative and, therefore, is collecting and connecting research that I (together with several co-authors) have conducted over the last few years. Thus, the absolute core of the work is formed by the ten publications listed on page 5 under the name Contributions 1 to 10. The references to the complete versions of these articles are also found in this list, making them as easily accessible as possible for readers wishing to dive deep into the different research projects. The chapters following this thesis, namely Parts A to C and the concluding remarks, serve to place the articles in a larger scientific context, to (briefly) explain their respective content on a less formal level, and to highlight some interesting perspectives for future research in their respective contexts. Naturally, therefore, the following presentation has neither the level of detail nor the formal rigor that can (hopefully) be found in the papers. The purpose of the following text is to provide the reader an easy and high-level access to this interesting and important research field as a whole, thereby, advertising it to a broader audience.
Amortized Bayesian Mixture Models
Kucharský, Šimon, Bürkner, Paul Christian
Finite mixtures are a broad class of models useful in scenarios where observed data is generated by multiple distinct processes but without explicit information about the responsible process for each data point. Estimating Bayesian mixture models is computationally challenging due to issues such as high-dimensional posterior inference and label switching. Furthermore, traditional methods such as MCMC are applicable only if the likelihoods for each mixture component are analytically tractable. Amortized Bayesian Inference (ABI) is a simulation-based framework for estimating Bayesian models using generative neural networks. This allows the fitting of models without explicit likelihoods, and provides fast inference. ABI is therefore an attractive framework for estimating mixture models. This paper introduces a novel extension of ABI tailored to mixture models. We factorize the posterior into a distribution of the parameters and a distribution of (categorical) mixture indicators, which allows us to use a combination of generative neural networks for parameter inference, and classification networks for mixture membership identification. The proposed framework accommodates both independent and dependent mixture models, enabling filtering and smoothing. We validate and demonstrate our approach through synthetic and real-world datasets.
DPERC: Direct Parameter Estimation for Mixed Data
Vo, Tuan L., Do, Quan Huu, Dang, Uyen, Nguyen, Thu, Halvorsen, Pål, Riegler, Michael A., Nguyen, Binh T.
The covariance matrix is a foundation in numerous statistical and machine-learning applications such as Principle Component Analysis, Correlation Heatmap, etc. However, missing values within datasets present a formidable obstacle to accurately estimating this matrix. While imputation methods offer one avenue for addressing this challenge, they often entail a trade-off between computational efficiency and estimation accuracy. Consequently, attention has shifted towards direct parameter estimation, given its precision and reduced computational burden. In this paper, we propose Direct Parameter Estimation for Randomly Missing Data with Categorical Features (DPERC), an efficient approach for direct parameter estimation tailored to mixed data that contains missing values within continuous features. Our method is motivated by leveraging information from categorical features, which can significantly enhance covariance matrix estimation for continuous features. Our approach effectively harnesses the information embedded within mixed data structures. Through comprehensive evaluations of diverse datasets, we demonstrate the competitive performance of DPERC compared to various contemporary techniques. In addition, we also show by experiments that DPERC is a valuable tool for visualizing the correlation heatmap.
Agnostic Q -learning with Function Approximation in Deterministic Systems: Near-Optimal Bounds on Approximation Error and Sample Complexity
The current paper studies the problem of agnostic Q -learning with function approximation in deterministic systems where the optimal Q -function is approximable by a function in the class \mathcal{F} with approximation error \delta \ge 0 . We propose a novel recursion-based algorithm and show that if \delta O\left(\rho/\sqrt{\dim_E}\right), then one can find the optimal policy using O(\dim_E) trajectories, where \rho is the gap between the optimal Q -value of the best actions and that of the second-best actions and \dim_E is the Eluder dimension of \mathcal{F} . Our result has two implications: \begin{enumerate} \item In conjunction with the lower bound in [Du et al., 2020], our upper bound suggests that the condition \delta \widetilde{\Theta}\left(\rho/\sqrt{\dim_E}\right) is necessary and sufficient for algorithms with polynomial sample complexity. We further extend our algorithm to the stochastic reward setting and obtain similar results.