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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

In this paper, we propose to utilize Automated Machine Learning to adaptively search a neural architecture for deepfake detection. This is the first time to employ automated machine learning for deepfake detection. Based on our explored…

Computer Vision and Pattern Recognition · Computer Science 2021-08-13 Ping Liu , Yuewei Lin , Yang He , Yunchao Wei , Liangli Zhen , Joey Tianyi Zhou , Rick Siow Mong Goh , Jingen Liu

For a real function, automatic differentiation is such a standard algorithm used to efficiently compute its gradient, that it is integrated in various neural network frameworks. However, despite the recent advances in using complex…

Machine Learning · Computer Science 2021-01-19 Chu Guo , Dario Poletti

Machine learning (ML) has emerged as a powerful tool for tackling complex regression and classification tasks, yet its success often hinges on the quality of training data. This study introduces an ML paradigm inspired by domain knowledge…

Machine Learning · Computer Science 2025-01-10 Mohsen Rashki

Machine learning with application to questions in the physical sciences has become a widely used tool, successfully applied to classification, regression and optimization tasks in many areas. Research focus mostly lies in improving the…

Machine Learning · Computer Science 2021-07-20 Pascal Friederich , Mario Krenn , Isaac Tamblyn , Alan Aspuru-Guzik

Automatic differentiation is everywhere, but there exists only minimal documentation of how it works in complex arithmetic beyond stating "derivatives in $\mathbb{C}^d$" $\cong$ "derivatives in $\mathbb{R}^{2d}$" and, at best, shallow…

Mathematical Software · Computer Science 2024-12-11 Nicholas Krämer

A tremendous range of design tasks in materials, physics, and biology can be formulated as finding the optimum of an objective function depending on many parameters without knowing its closed-form expression or the derivative. Traditional…

Machine Learning · Computer Science 2024-04-08 Ye Wei , Bo Peng , Ruiwen Xie , Yangtao Chen , Yu Qin , Peng Wen , Stefan Bauer , Po-Yen Tung

Reinforcement learning defines the problem facing agents that learn to make good decisions through action and observation alone. To be effective problem solvers, such agents must efficiently explore vast worlds, assign credit from delayed…

Machine Learning · Computer Science 2022-03-02 David Abel

In this paper we explore how machine learning techniques can be applied to the discovery of efficient mathematical identities. We introduce an attribute grammar framework for representing symbolic expressions. Given a set of grammar rules…

Machine Learning · Computer Science 2014-11-07 Wojciech Zaremba , Karol Kurach , Rob Fergus

The use of machine learning to estimate the energy of a group of atoms, and the forces that drive them to more stable configurations, has revolutionized the fields of computational chemistry and materials discovery. In this domain, rigorous…

Chemical Physics · Physics 2025-10-28 Filippo Bigi , Marcel Langer , Michele Ceriotti

Artificial intelligence, particularly through recent advancements in deep learning, has achieved exceptional performances in many tasks in fields such as natural language processing and computer vision. In addition to desirable evaluation…

Machine Learning · Computer Science 2024-03-04 Sean Xie , Soroush Vosoughi , Saeed Hassanpour

Intelligent systems have the ability to improve their behaviour over time taking observations, experiences or explicit feedback into account. Traditional approaches separate the learning problem and make isolated use of techniques from…

Machine Learning · Computer Science 2022-01-12 Simon Reichhuber , Sven Tomforde

Building a good predictive model requires an array of activities such as data imputation, feature transformations, estimator selection, hyper-parameter search and ensemble construction. Given the large, complex and heterogenous space of…

Machine Learning · Computer Science 2019-03-06 Udayan Khurana , Horst Samulowitz

Reinforcement Learning (RL) has emerged as a powerful paradigm in Artificial Intelligence (AI), enabling agents to learn optimal behaviors through interactions with their environments. Drawing from the foundations of trial and error, RL…

Artificial Intelligence · Computer Science 2025-02-04 Majid Ghasemi , Amir Hossein Moosavi , Dariush Ebrahimi

More and more processes governing our lives use in some part an automatic decision step, where -- based on a feature vector derived from an applicant -- an algorithm has the decision power over the final outcome. Here we present a simple…

Machine Learning · Statistics 2017-01-16 Matthias Gallé

This paper presents a novel approach to automatically solving arithmetic word problems. This is the first algorithmic approach that can handle arithmetic problems with multiple steps and operations, without depending on additional…

Computation and Language · Computer Science 2016-08-23 Subhro Roy , Dan Roth

This work presents an approach to automatically induction for non-greedy decision trees constructed from neural network architecture. This construction can be used to transfer weights when growing or pruning a decision tree, allowing…

Machine Learning · Statistics 2019-12-10 Chapman Siu

Decision Trees (DTs) are commonly used for many machine learning tasks due to their high degree of interpretability. However, learning a DT from data is a difficult optimization problem, as it is non-convex and non-differentiable.…

Machine Learning · Computer Science 2024-08-20 Sascha Marton , Stefan Lüdtke , Christian Bartelt , Heiner Stuckenschmidt

We build a dual-way neural dictionary to retrieve words given definitions, and produce definitions for queried words. The model learns the two tasks simultaneously and handles unknown words via embeddings. It casts a word or a definition to…

Computation and Language · Computer Science 2022-10-12 Pinzhen Chen , Zheng Zhao

Automata learning is a popular technique used to automatically construct an automaton model from queries. Much research went into devising ad hoc adaptations of algorithms for different types of automata. The CALF project seeks to unify…

Formal Languages and Automata Theory · Computer Science 2023-02-03 Gerco van Heerdt , Tobias Kappé , Jurriaan Rot , Matteo Sammartino , Alexandra Silva