A decision tree is one of the most popular approaches in machine learning fields. However, it suffers from the problem of overfitting caused by overly deepened trees. Then, a meta-tree is recently proposed. It solves the problem of overfitting caused by overly deepened trees. Moreover, the meta-tree guarantees statistical optimality based on Bayes decision theory. Therefore, the meta-tree is expected to perform better than the decision tree. In contrast to a single decision tree, it is known that ensembles of decision trees, which are typically constructed boosting algorithms, are more effective in improving predictive performance. Thus, it is expected that ensembles of meta-trees are more effective in improving predictive performance than a single meta-tree, and there are no previous studies that construct multiple meta-trees in boosting. Therefore, in this study, we propose a method to construct multiple meta-trees using a boosting approach. Through experiments with synthetic and benchmark datasets, we conduct a performance comparison between the proposed methods and the conventional methods using ensembles of decision trees. Furthermore, while ensembles of decision trees can cause overfitting as well as a single decision tree, experiments confirmed that ensembles of meta-trees can prevent overfitting due to the tree depth.

We develop optimal algorithms for learning undirected Gaussian trees and directed Gaussian polytrees from data. We consider both problems of distribution learning (i.e. in KL distance) and structure learning (i.e. exact recovery). The first approach is based on the Chow-Liu algorithm, and learns an optimal tree-structured distribution efficiently. The second approach is a modification of the PC algorithm for polytrees that uses partial correlation as a conditional independence tester for constraint-based structure learning. We derive explicit finite-sample guarantees for both approaches, and show that both approaches are optimal by deriving matching lower bounds. Additionally, we conduct numerical experiments to compare the performance of various algorithms, providing further insights and empirical evidence.

Time Series Supplier Allocation (TSSA) poses a complex NP-hard challenge, aimed at refining future order dispatching strategies to satisfy order demands with maximum supply efficiency fully. Traditionally derived from financial portfolio management, the Black-Litterman (BL) model offers a new perspective for the TSSA scenario by balancing expected returns against insufficient supply risks. However, its application within TSSA is constrained by the reliance on manually constructed perspective matrices and spatio-temporal market dynamics, coupled with the absence of supervisory signals and data unreliability inherent to supplier information. To solve these limitations, we introduce the pioneering Deep Black-Litterman Model (DBLM), which innovatively adapts the BL model from financial roots to supply chain context. Leveraging the Spatio-Temporal Graph Neural Networks (STGNNS), DBLM automatically generates future perspective matrices for TSSA, by integrating spatio-temporal dependency. Moreover, a novel Spearman rank correlation distinctively supervises our approach to address the lack of supervisory signals, specifically designed to navigate through the complexities of supplier risks and interactions. This is further enhanced by a masking mechanism aimed at counteracting the biases from unreliable data, thereby improving the model's precision and reliability. Extensive experimentation on two datasets unequivocally demonstrates DBLM's enhanced performance in TSSA, setting new standards for the field. Our findings and methodology are made available for community access and further development.

Efficiently generating statistically independent samples from an unnormalized probability distribution, such as equilibrium samples of many-body systems, is a foundational problem in science. In this paper, we propose Iterated Denoising Energy Matching (iDEM), an iterative algorithm that uses a novel stochastic score matching objective leveraging solely the energy function and its gradient -- and no data samples -- to train a diffusion-based sampler. Specifically, iDEM alternates between (I) sampling regions of high model density from a diffusion-based sampler and (II) using these samples in our stochastic matching objective to further improve the sampler. iDEM is scalable to high dimensions as the inner matching objective, is simulation-free, and requires no MCMC samples. Moreover, by leveraging the fast mode mixing behavior of diffusion, iDEM smooths out the energy landscape enabling efficient exploration and learning of an amortized sampler. We evaluate iDEM on a suite of tasks ranging from standard synthetic energy functions to invariant $n$-body particle systems. We show that the proposed approach achieves state-of-the-art performance on all metrics and trains $2-5\times$ faster, which allows it to be the first method to train using energy on the challenging $55$-particle Lennard-Jones system.

In this work, we propose to tackle the problem of domain generalization in the context of \textit{insufficient samples}. Instead of extracting latent feature embeddings based on deterministic models, we propose to learn a domain-invariant representation based on the probabilistic framework by mapping each data point into probabilistic embeddings. Specifically, we first extend empirical maximum mean discrepancy (MMD) to a novel probabilistic MMD that can measure the discrepancy between mixture distributions (i.e., source domains) consisting of a series of latent distributions rather than latent points. Moreover, instead of imposing the contrastive semantic alignment (CSA) loss based on pairs of latent points, a novel probabilistic CSA loss encourages positive probabilistic embedding pairs to be closer while pulling other negative ones apart. Benefiting from the learned representation captured by probabilistic models, our proposed method can marriage the measurement on the \textit{distribution over distributions} (i.e., the global perspective alignment) and the distribution-based contrastive semantic alignment (i.e., the local perspective alignment). Extensive experimental results on three challenging medical datasets show the effectiveness of our proposed method in the context of insufficient data compared with state-of-the-art methods.

Estimation of heterogeneous treatment effects from observational data has become an important problem. It plays a crucial role in determining the individualized causal effects of a treatment, which then leads to a personalized assignment of optimal treatment (Wendling et al., 2018; Rekkas et al., 2020). Estimation of such heterogeneity however requires reasonable representations from each treatment subgroup. With the increasing availability of large-scale health outcome data such as electronic health records (EHR) data in recent years, it has become possible to develop individualized treatment strategies efficiently. This led to the development of several novel statistical methods, primarily tailored for binary treatment scenarios (Wendling et al., 2018; Cheng et al., 2020), with some accommodating multiple treatment settings (Brown et al., 2020; Chalkou et al., 2021). Most of these approaches are specifically designed for estimating population average treatment effects (ATEs) (Van Der Laan and Rubin, 2006; Chernozhukov et al., 2018; McCaffrey et al., 2013) and more recently, methods are being developed to estimate conditional average treatment effects (CATEs) (Taddy et al., 2016; Wager and Athey, 2018; Künzel et al., 2019; Nie and Wager, 2021). Here, we tackle a generic problem of heterogeneous treatment effect or CATE estimation in a multi-treatment setting, where the treatment responses may share some commonalities.

In the general framework of Bayesian inference, the target distribution can only be evaluated up-to a constant of proportionality. Classical consistent Bayesian methods such as sequential Monte Carlo (SMC) and Markov chain Monte Carlo (MCMC) have unbounded time complexity requirements. We develop a fully parallel sequential Monte Carlo (pSMC) method which provably delivers parallel strong scaling, i.e. the time complexity (and per-node memory) remains bounded if the number of asynchronous processes is allowed to grow. More precisely, the pSMC has a theoretical convergence rate of MSE$ = O(1/NR)$, where $N$ denotes the number of communicating samples in each processor and $R$ denotes the number of processors. In particular, for suitably-large problem-dependent $N$, as $R \rightarrow \infty$ the method converges to infinitesimal accuracy MSE$=O(\varepsilon^2)$ with a fixed finite time-complexity Cost$=O(1)$ and with no efficiency leakage, i.e. computational complexity Cost$=O(\varepsilon^{-2})$. A number of Bayesian inference problems are taken into consideration to compare the pSMC and MCMC methods.

This paper explores a modern predictive uncertainty estimation approach, called evidential deep learning (EDL), in which a single neural network model is trained to learn a meta distribution over the predictive distribution by minimizing a specific objective function. Despite their strong empirical performance, recent studies by Bengs et al. identify a fundamental pitfall of the existing methods: the learned epistemic uncertainty may not vanish even in the infinite-sample limit. We corroborate the observation by providing a unifying view of a class of widely used objectives from the literature. Our analysis reveals that the EDL methods essentially train a meta distribution by minimizing a certain divergence measure between the distribution and a sample-size-independent target distribution, resulting in spurious epistemic uncertainty. Grounded in theoretical principles, we propose learning a consistent target distribution by modeling it with a mixture of Dirichlet distributions and learning via variational inference. Afterward, a final meta distribution model distills the learned uncertainty from the target model. Experimental results across various uncertainty-based downstream tasks demonstrate the superiority of our proposed method, and illustrate the practical implications arising from the consistency and inconsistency of learned epistemic uncertainty.

Affordances are fundamental descriptors of relationships between actions, objects and effects. They provide the means whereby a robot can predict effects, recognize actions, select objects and plan its behavior according to desired goals. This paper approaches the problem of an embodied agent exploring the world and learning these affordances autonomously from its sensory experiences. Models exist for learning the structure and the parameters of a Bayesian Network encoding this knowledge. Although Bayesian Networks are capable of dealing with uncertainty and redundancy, previous work considered complete observability of the discrete sensory data, which may lead to hard errors in the presence of noise. In this paper we consider a probabilistic representation of the sensors by Gaussian Mixture Models (GMMs) and explicitly taking into account the probability distribution contained in each discrete affordance concept, which can lead to a more correct learning.

We build a computational model of how humans actively infer hidden rules by doing experiments. The basic principles behind the model is that, even if the rule is deterministic, the learner considers a broader space of fuzzy probabilistic rules, which it represents in natural language, and updates its hypotheses online after each experiment according to approximately Bayesian principles. In the same framework we also model experiment design according to information-theoretic criteria. We find that the combination of these three principles -- explicit hypotheses, probabilistic rules, and online updates -- can explain human performance on a Zendo-style task, and that removing any of these components leaves the model unable to account for the data.