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The Maximum Mean Discrepancy (MMD) has found numerous applications in statistics and machine learning, most recently as a penalty in the Wasserstein Auto-Encoder (WAE). In this paper we compute closed-form expressions for estimating the…

Machine Learning · Statistics 2020-06-03 Raif M. Rustamov

In this paper, we study the Temporal Difference (TD) learning with linear value function approximation. It is well known that most TD learning algorithms are unstable with linear function approximation and off-policy learning. Recent…

Artificial Intelligence · Computer Science 2016-10-06 Dominik Meyer , Hao Shen , Klaus Diepold

In this paper we introduce the deep kernelized autoencoder, a neural network model that allows an explicit approximation of (i) the mapping from an input space to an arbitrary, user-specified kernel space and (ii) the back-projection from…

Machine Learning · Statistics 2017-02-09 Michael Kampffmeyer , Sigurd Løkse , Filippo Maria Bianchi , Robert Jenssen , Lorenzo Livi

We present a general framework of semi-supervised dimensionality reduction for manifold learning which naturally generalizes existing supervised and unsupervised learning frameworks which apply the spectral decomposition. Algorithms derived…

Machine Learning · Computer Science 2009-07-29 Ratthachat Chatpatanasiri , Boonserm Kijsirikul

Existing convergence of distributed optimization methods in non-Euclidean geometries typically rely on kernel assumptions: (i) global Lipschitz smoothness and (ii) bi-convexity of the associated Bregman divergence function. Unfortunately,…

Optimization and Control · Mathematics 2026-03-16 Junwen Qiu , Ziyang Zeng , Leilei Mei , Junyu Zhang

Discovering atom-level phenomena requires molecular dynamics (MD) simulations with ab initio accuracy. Machine learning interatomic potentials (MLIPs) enable stable, high-accuracy MD simulations, and their models exhibit scaling-law trends…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-20 Hongyu Wang , Weijian Liu , Hongtao Xu , Yan Wang , Mingzhen Li , Weile Jia , Guangming Tan

First-order methods in convex optimization offer low per-iteration cost but often suffer from slow convergence, while second-order methods achieve fast local convergence at the expense of costly Hessian inversions. In this paper, we…

Machine Learning · Statistics 2025-07-08 Qiang Heng , Caixing Wang

The development of multimodal models for pulmonary nodule diagnosis is limited by the scarcity of labeled data and the tendency for these models to overfit on the training distribution. In this work, we leverage self-supervised learning…

Computer Vision and Pattern Recognition · Computer Science 2025-09-22 Thomas Z. Li , Aravind R. Krishnan , Lianrui Zuo , John M. Still , Kim L. Sandler , Fabien Maldonado , Thomas A. Lasko , Bennett A. Landman

Machine Learning (ML) has widely been used for modeling and predicting physical systems. These techniques offer high expressive power and good generalizability for interpolation within observed data sets. However, the disadvantage of…

Machine Learning · Statistics 2023-03-02 Omid Sedehi , Antonina M. Kosikova , Costas Papadimitriou , Lambros S. Katafygiotis

Equivariant neural networks have shown great success in reinforcement learning, improving sample efficiency and generalization when there is symmetry in the task. However, in many problems, only approximate symmetry is present, which makes…

Machine Learning · Computer Science 2025-04-24 Jung Yeon Park , Sujay Bhatt , Sihan Zeng , Lawson L. S. Wong , Alec Koppel , Sumitra Ganesh , Robin Walters

Clustering is a fundamental unsupervised learning approach. Many clustering algorithms -- such as $k$-means -- rely on the euclidean distance as a similarity measure, which is often not the most relevant metric for high dimensional data…

Machine Learning · Computer Science 2019-10-22 Aude Genevay , Gabriel Dulac-Arnold , Jean-Philippe Vert

Gaussian process (GP) regression provides a flexible, nonparametric framework for probabilistic modeling, yet remains computationally demanding in large-scale applications. For one-dimensional data, state space (SS) models achieve…

Machine Learning · Statistics 2025-11-07 Liang Ding , Rui Tuo , Lu Zhou

The emergence of unsupervised word embeddings, pre-trained on very large monolingual text corpora, is at the core of the ongoing neural revolution in Natural Language Processing (NLP). Initially introduced for English, such pre-trained word…

Computation and Language · Computer Science 2024-06-18 Guillem Ramírez , Rumen Dangovski , Preslav Nakov , Marin Soljačić

Partial differential equations (PDEs) are important tools to model physical systems and including them into machine learning models is an important way of incorporating physical knowledge. Given any system of linear PDEs with constant…

Machine Learning · Statistics 2023-11-03 Marc Härkönen , Markus Lange-Hegermann , Bogdan Raiţă

This paper introduces a new and effective algorithm for learning kernels in a Multi-Task Learning (MTL) setting. Although, we consider a MTL scenario here, our approach can be easily applied to standard single task learning, as well. As…

Machine Learning · Computer Science 2017-07-13 Niloofar Yousefi , Cong Li , Mansooreh Mollaghasemi , Georgios Anagnostopoulos , Michael Georgiopoulos

Training certifiable neural networks enables one to obtain models with robustness guarantees against adversarial attacks. In this work, we introduce a framework to bound the adversary-free region in the neighborhood of the input data by a…

Machine Learning · Computer Science 2021-09-21 Chen Liu , Mathieu Salzmann , Sabine Süsstrunk

Deep neural networks dominate modern machine learning, while alternative function approximators remain comparatively underexplored at scale. In this work, we revisit kernel methods as drop-in components for standard deep learning pipelines.…

Machine Learning · Computer Science 2026-05-05 Jean-Marc Mercier , Gabriele Santin

Persistence diagrams (PDs) play a key role in topological data analysis (TDA), in which they are routinely used to describe topological properties of complicated shapes. PDs enjoy strong stability properties and have proven their utility in…

Computational Geometry · Computer Science 2017-11-10 Mathieu Carrière , Marco Cuturi , Steve Oudot

In this paper I propose a generative model of supervised learning that unifies two approaches to supervised learning, using a concept of a correct loss function. Addressing two measurability problems, which have been ignored in statistical…

Statistics Theory · Mathematics 2025-04-29 Hông Vân Lê

Markov decision processes (MDPs) are a well studied framework for solving sequential decision making problems under uncertainty. Exact methods for solving MDPs based on dynamic programming such as policy iteration and value iteration are…

Artificial Intelligence · Computer Science 2015-09-09 Yanping Huang
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