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Electronic density of states (DOS) is a key factor in condensed matter physics and material science that determines the properties of metals. First-principles density-functional theory (DFT) calculations have typically been used to obtain…

Materials Science · Physics 2019-04-12 Byung Chul Yeo , Donghun Kim , Chansoo Kim , Sang Soo Han

In many machine learning tasks, a common approach for dealing with large-scale data is to build a small summary, {\em e.g.,} coreset, that can efficiently represent the original input. However, real-world datasets usually contain outliers…

Machine Learning · Computer Science 2022-01-24 Zixiu Wang , Yiwen Guo , Hu Ding

Efficient probability density estimation is a core challenge in statistical machine learning. Tensor-based probabilistic graph methods address interpretability and stability concerns encountered in neural network approaches. However, a…

Machine Learning · Computer Science 2023-12-14 Ruituo Wu , Jiani Liu , Ce Zhu , Anh-Huy Phan , Ivan V. Oseledets , Yipeng Liu

We propose a new splitting criterion for a meta-learning approach to multiclass classifier design that adaptively merges the classes into a tree-structured hierarchy of increasingly difficult binary classification problems. The…

Machine Learning · Computer Science 2017-11-10 Gerrit J. J. van den Burg , Alfred O. Hero

We introduce a local machine-learning method for predicting the electron densities of periodic systems. The framework is based on a numerical, atom-centred auxiliary basis, which enables an accurate expansion of the all-electron density in…

Chemical Physics · Physics 2021-11-10 Alan M. Lewis , Andrea Grisafi , Michele Ceriotti , Mariana Rossi

Machine learning and data analysis have been used in many robotics fields, especially for modelling. Data are usually the result of sensor measurements and, as such, they might be subjected to noise and outliers. The presence of outliers…

Robotics · Computer Science 2019-08-26 Francesco Cursi , Guang-Zhong Yang

Few-shot learning is a challenging problem that has attracted more and more attention recently since abundant training samples are difficult to obtain in practical applications. Meta-learning has been proposed to address this issue, which…

Computer Vision and Pattern Recognition · Computer Science 2020-07-23 Xian Zhong , Cheng Gu , Wenxin Huang , Lin Li , Shuqin Chen , Chia-Wen Lin

Regression aims at estimating the conditional mean of output given input. However, regression is not informative enough if the conditional density is multimodal, heteroscedastic, and asymmetric. In such a case, estimating the conditional…

Machine Learning · Computer Science 2014-04-29 Voot Tangkaratt , Ning Xie , Masashi Sugiyama

Evidential deep learning (EDL) has shown remarkable success in uncertainty estimation. However, there is still room for improvement, particularly in out-of-distribution (OOD) detection and classification tasks. The limited OOD detection…

Machine Learning · Computer Science 2025-10-15 Taeseong Yoon , Heeyoung Kim

Meta-reinforcement learning (RL) addresses the problem of sample inefficiency in deep RL by using experience obtained in past tasks for a new task to be solved. However, most meta-RL methods require partially or fully on-policy data, i.e.,…

Artificial Intelligence · Computer Science 2021-01-07 Takahisa Imagawa , Takuya Hiraoka , Yoshimasa Tsuruoka

The vast majority of Dimensionality Reduction (DR) techniques rely on second-order statistics to define their optimization objective. Even though this provides adequate results in most cases, it comes with several shortcomings. The methods…

Computer Vision and Pattern Recognition · Computer Science 2017-08-21 Nikolaos Passalis , Anastasios Tefas

Meta reinforcement learning (Meta-RL) is an approach wherein the experience gained from solving a variety of tasks is distilled into a meta-policy. The meta-policy, when adapted over only a small (or just a single) number of steps, is able…

Machine Learning · Computer Science 2022-09-28 Desik Rengarajan , Sapana Chaudhary , Jaewon Kim , Dileep Kalathil , Srinivas Shakkottai

Deep learning models require a large amount of data to perform well. When data is scarce for a target task, we can transfer the knowledge gained by training on similar tasks to quickly learn the target. A successful approach is…

Machine Learning · Computer Science 2021-03-18 Alberto Bernacchia

In this paper, we study a class of non-parametric density estimators under Bayesian settings. The estimators are piecewise constant functions on binary partitions. We analyze the concentration rate of the posterior distribution under a…

Statistics Theory · Mathematics 2015-08-21 Linxi Liu , Wing Hung Wong

Meta learning of optimal classifier error rates allows an experimenter to empirically estimate the intrinsic ability of any estimator to discriminate between two populations, circumventing the difficult problem of estimating the optimal…

Machine Learning · Statistics 2017-11-01 Morteza Noshad Iranzad , Alfred O. Hero

Medical professionals frequently work in a data constrained setting to provide insights across a unique demographic. A few medical observations, for instance, informs the diagnosis and treatment of a patient. This suggests a unique setting…

Computation and Language · Computer Science 2022-12-06 Pankaj Sharma , Imran Qureshi , Minh Tran

Out-of-distribution (OOD) detection is an important task in machine learning systems for ensuring their reliability and safety. Deep probabilistic generative models facilitate OOD detection by estimating the likelihood of a data sample.…

Machine Learning · Computer Science 2021-06-16 Jaemoo Choi , Changyeon Yoon , Jeongwoo Bae , Myungjoo Kang

In this work, we begin to investigate the possibility of training a deep neural network on the task of binary code understanding. Specifically, the network would take, as input, features derived directly from binaries and output English…

Machine Learning · Computer Science 2024-05-01 Alexander Interrante-Grant , Andy Davis , Heather Preslier , Tim Leek

We introduce a data-driven framework for approximating the convex set of $N$-representable two-electron reduced density matrices (2-RDMs). Traditional approaches characterize this set through linear matrix inequalities that define its…

Chemical Physics · Physics 2026-03-09 Luis H. Delgado-Granados , David A. Mazziotti

By now, most outlier-detection algorithms struggle to accurately detect both point anomalies and cluster anomalies simultaneously. Furthermore, a few K-nearest-neighbor-based anomaly-detection methods exhibit excellent performance on many…

Information Theory · Computer Science 2025-06-06 Kaituo Zhang , Wei Huang , Bingyang Zhang , Jinshan Xu , Xuhua Yang