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Optimal designs are usually model-dependent and likely to be sub-optimal if the postulated model is not correctly specified. In practice, it is common that a researcher has a list of candidate models at hand and a design has to be found…

Statistics Theory · Mathematics 2023-03-29 Mingyao Ai , Holger Dette , Zhengfu Liu , Jun Yu

Automated analyses of the outcome of a simulation have been an important part of atomistic modeling since the early days, addressing the need of linking the behavior of individual atoms and the collective properties that are usually the…

Chemical Physics · Physics 2019-05-22 Michele Ceriotti

Deep learning has revolutionized many industries by enabling models to automatically learn complex patterns from raw data, reducing dependence on manual feature engineering. However, deep learning algorithms are sensitive to input data, and…

Machine Learning · Computer Science 2025-07-21 Mert Sehri , Zehui Hua , Francisco de Assis Boldt , Patrick Dumond

Tabular data learning has extensive applications in deep learning but its existing embedding techniques are limited in numerical and categorical features such as the inability to capture complex relationships and engineering. This paper…

Machine Learning · Computer Science 2024-09-02 Yuqian Wu , Hengyi Luo , Raymond S. T. Lee

This paper examines the characterization and learning of grammars defined with enriched representational models. Model-theoretic approaches to formal language theory traditionally assume that each position in a string belongs to exactly one…

Formal Languages and Automata Theory · Computer Science 2019-06-25 Jane Chandlee , Remi Eyraud , Jeffrey Heinz , Adam Jardine , Jonathan Rawski

Machine Learning with deep neural networks has transformed computational approaches to scientific and engineering problems. Central to many of these advancements are precisely tuned neural architectures that are tailored to the domains in…

Quantum Physics · Physics 2025-04-23 Mathias Weiden , Justin Kalloor , John Kubiatowicz , Costin Iancu

We design a deep-learning algorithm for the discovery and identification of the continuous group of symmetries present in a labeled dataset. We use fully connected neural networks to model the symmetry transformations and the corresponding…

High Energy Physics - Phenomenology · Physics 2023-01-16 Roy T. Forestano , Konstantin T. Matchev , Katia Matcheva , Alexander Roman , Eyup Unlu , Sarunas Verner

In this work, we address unconstrained finite-sum optimization problems, with particular focus on instances originating in large scale deep learning scenarios. Our main interest lies in the exploration of the relationship between recent…

Optimization and Control · Mathematics 2026-03-13 Matteo Lapucci , Davide Pucci

Contemporary machine learning models, including large language models, exhibit remarkable capabilities in static tasks yet falter in non-stationary environments due to rigid architectures that hinder continual adaptation and lifelong…

Machine Learning · Computer Science 2026-05-15 Akbar Anbar Jafari , Cagri Ozcinar , Gholamreza Anbarjafari

The advent of Large Language Models (LLMs) has provided unprecedented capabilities for analyzing unstructured text data. However, deploying these models as reliable, robust, and scalable classifiers in production environments presents…

Computation and Language · Computer Science 2025-08-25 Doohee You , Andy Parisi , Zach Vander Velden , Lara Dantas Inojosa

We present a framework to systematically investigate higher categorical symmetries in two-dimensional spin systems. Though exotic, such generalised symmetries have been shown to naturally arise as dual symmetries upon gauging invertible…

High Energy Physics - Theory · Physics 2024-04-24 Clement Delcamp , Apoorv Tiwari

The area of constrained clustering has been extensively explored by researchers and used by practitioners. Constrained clustering formulations exist for popular algorithms such as k-means, mixture models, and spectral clustering but have…

Machine Learning · Computer Science 2019-12-20 Hongjing Zhang , Sugato Basu , Ian Davidson

We introduce a notion of synchronization for higher-dimensional automata, based on coskeletons of cubical sets. Categorification transports this notion to the setting of categorical transition systems. We apply the results to study the…

Programming Languages · Computer Science 2007-05-23 Krzysztof Worytkiewicz

This paper develops a systematic framework for integrating local categories that model logical connectives using higher category theory. By extending these local categories into a unified two-category enriched with natural isomorphisms, the…

General Mathematics · Mathematics 2025-05-19 Barreto Joaquim Reizi

We consider the problem of distributionally robust multimodal machine learning. Existing approaches often rely on merging modalities on the feature level (early fusion) or heuristic uncertainty modeling, which downplays modality-aware…

Machine Learning · Computer Science 2025-11-11 Peilin Yang , Yu Ma

State of the art language models return a natural language text continuation from any piece of input text. This ability to generate coherent text extensions implies significant sophistication, including a knowledge of grammar and semantics.…

Category Theory · Mathematics 2021-11-19 Tai-Danae Bradley , John Terilla , Yiannis Vlassopoulos

Stacking, a potent ensemble learning method, leverages a meta-model to harness the strengths of multiple base models, thereby enhancing prediction accuracy. Traditional stacking techniques typically utilize established learning models, such…

Machine Learning · Computer Science 2024-10-31 Wei Wu , Liang Tang , Zhongjie Zhao , Chung-Piaw Teo

A new framework of thermodynamic modeling is proposed by introducing the concept of differentiable programming, where all the thermodynamic observables including both thermochemical quantities and phase equilibria can be differentiated with…

Materials Science · Physics 2021-02-23 Pin-Wen Guan

Model merging is an efficient empowerment technique in the machine learning community that does not require the collection of raw training data and does not require expensive computation. As model merging becomes increasingly prevalent…

Machine Learning · Computer Science 2026-01-01 Enneng Yang , Li Shen , Guibing Guo , Xingwei Wang , Xiaochun Cao , Jie Zhang , Dacheng Tao

This monograph aims at providing an introduction to key concepts, algorithms, and theoretical results in machine learning. The treatment concentrates on probabilistic models for supervised and unsupervised learning problems. It introduces…

Machine Learning · Computer Science 2018-05-21 Osvaldo Simeone