12 accepted papers
Recently, machine learning Hamiltonian (MLH) models have gained traction as fast approximations of electronic structures such as orbitals and electron densities, while also enabling direct evaluation of energies and forces from their predictions. However, despite their physical grounding, existing H…
This paper addresses the problem of multi-risk measure agnostic multi-armed bandits in heavy-tailed reward settings. We propose a framework that leverages novel deviation inequalities for the $1$-Wasserstein distance to construct confidence intervals for Lipschitz risk measures. The distributional…
Ordering-based approaches to causal discovery identify topological orders of causal graphs, providing scalable alternatives to combinatorial search methods. Under the Additive Noise Models (ANMs) assumption, recent causal ordering methods based on score matching require an accurate estimation of the…
Recent advancements in diffusion models and diffusion bridges primarily focus on finite-dimensional spaces, yet many real-world problems necessitate operations in infinite-dimensional function spaces for more natural and interpretable formulations. In this paper, we present a theory of stochastic o…
Continuous-time score-based generative models consist of a pair of stochastic differential equations (SDEs)—a forward SDE that smoothly transitions data into a noise space and a reverse SDE that incrementally eliminates noise from a Gaussian prior distribution to generate data distribution samples—a…
Investigating the optimal stochastic process beyond Gaussian for noise injection in a score-based generative model remains an open question. Brownian motion is a light-tailed process with continuous paths, which leads to a slow convergence rate for the Number of Function Evaluation (NFE). Recent stu…
Bootstrapping has been a primary tool for ensemble and uncertainty quantification in machine learning and statistics. However, due to its nature of multiple training and resampling, bootstrapping deep neural networks is computationally burdensome; hence it has difficulties in practical application…
In this paper, we present a new class of Markov decision processes (MDPs), called Tsallis MDPs, with Tsallis entropy maximization, which generalizes existing maximum entropy reinforcement learning (RL). A Tsallis MDP provides a unified framework for the original RL problem and RL with various types…
In this paper, we consider stochastic multi-armed bandits (MABs) with heavy-tailed rewards, whose p-th moment is bounded by a constant nu_p for 1
In this paper, we focus on weakly supervised learning with noisy training data for both classification and regression problems. We assume that the training outputs are collected from a mixture of a target and correlated noise distributions. Our proposed method simultaneously estimates the target dis…
Data augmentation is an essential technique for improving generalization ability of deep learning models. Recently, AutoAugment \cite{cubuk2018autoaugment} has been proposed as an algorithm to automatically search for augmentation policies from a dataset and has significantly enhanced performances o…
In this paper, we propose an uncertainty-aware learning from demonstration method by presenting a novel uncertainty estimation method utilizing a mixture density network appropriate for modeling complex and noisy human behaviors. The proposed uncertainty acquisition can be done with a single forward…