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Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

Learning representations of neural network weights given a model zoo is an emerging and challenging area with many potential applications from model inspection, to neural architecture search or knowledge distillation. Recently, an…

Machine Learning · Computer Science 2022-09-30 Konstantin Schürholt , Boris Knyazev , Xavier Giró-i-Nieto , Damian Borth

Although an object may appear in numerous contexts, we often describe it in a limited number of ways. Language allows us to abstract away visual variation to represent and communicate concepts. Building on this intuition, we propose an…

Computer Vision and Pattern Recognition · Computer Science 2023-03-30 Mohamed El Banani , Karan Desai , Justin Johnson

Understanding the deep representations of complex networks is an important step of building interpretable and trustworthy machine learning applications in the age of internet. Global surrogate models that approximate the predictions of a…

Machine Learning · Computer Science 2022-03-15 Baihan Lin

There has been growing interest in developing accurate models that can also be explained to humans. Unfortunately, if there exist multiple distinct but accurate models for some dataset, current machine learning methods are unlikely to find…

Machine Learning · Computer Science 2018-07-23 Andrew Slavin Ross , Weiwei Pan , Finale Doshi-Velez

Model Predictive Controllers (MPC) are widely used for controlling cyber-physical systems. It is an iterative process of optimizing the prediction of the future states of a robot over a fixed time horizon. MPCs are effective in practice,…

Robotics · Computer Science 2022-12-23 Aravindakumar Vijayasri Mohan Kumar

Variational representations of divergences and distances between high-dimensional probability distributions offer significant theoretical insights and practical advantages in numerous research areas. Recently, they have gained popularity in…

Machine Learning · Computer Science 2022-03-25 Jeremiah Birrell , Markos A. Katsoulakis , Yannis Pantazis

This paper aims to clarify the representational status of Deep Learning Models (DLMs). While commonly referred to as 'representations', what this entails is ambiguous due to a conflation of functional and relational conceptions of…

Artificial Intelligence · Computer Science 2025-03-25 Eamon Duede

Scientists often use observational time series data to study complex natural processes, but regression analyses often assume simplistic dynamics. Recent advances in deep learning have yielded startling improvements to the performance of…

Machine Learning · Computer Science 2023-04-21 Cory Shain , William Schuler

This work analyses main features that should be present in knowledge representation. It suggests a model for representation and a way to implement this model in software. Representation takes care of both low-level sensor information and…

Artificial Intelligence · Computer Science 2007-05-23 Mikalai Birukou

We propose and study a method for learning interpretable representations for the task of regression. Features are represented as networks of multi-type expression trees comprised of activation functions common in neural networks in addition…

Neural and Evolutionary Computing · Computer Science 2019-03-26 William La Cava , Tilak Raj Singh , James Taggart , Srinivas Suri , Jason H. Moore

Recent work has sought to understand the behavior of neural networks by comparing representations between layers and between different trained models. We examine methods for comparing neural network representations based on canonical…

Machine Learning · Computer Science 2019-07-22 Simon Kornblith , Mohammad Norouzi , Honglak Lee , Geoffrey Hinton

Representation learning is a fundamental task in machine learning, aiming at uncovering structures from data to facilitate subsequent tasks. However, what is a good representation for planning and reasoning in a stochastic world remains an…

Machine Learning · Computer Science 2024-03-19 Meng Song

Path loss prediction is a beneficial tool for efficient use of the radio frequency spectrum. Building on prior research on high-resolution map-based path loss models, this paper studies convolutional neural network input representations in…

Machine Learning · Computer Science 2026-02-05 Ryan G. Dempsey , Jonathan Ethier , Halim Yanikomeroglu

We focus on the problem of learning distributed representations for entity search queries, named entities, and their short descriptions. With our representation learning models, the entity search query, named entity and description can be…

Computation and Language · Computer Science 2017-01-17 Shijia E , Yang Xiang , Mohan Zhang

While a real-world research program in mathematics may be guided by a motivating question, the process of mathematical discovery is typically open-ended. Ideally, exploration needed to answer the original question will reveal new…

Machine Learning · Computer Science 2026-01-30 Henry Kvinge , Andrew Aguilar , Nayda Farnsworth , Grace O'Brien , Robert Jasper , Sarah Scullen , Helen Jenne

Networks are a powerful abstraction with applicability to a variety of scientific fields. Models explaining their morphology and growth processes permit a wide range of phenomena to be more systematically analysed and understood. At the…

Neural and Evolutionary Computing · Computer Science 2020-04-27 Telmo Menezes , Camille Roth

We consider the problem of evaluating representations of data for use in solving a downstream task. We propose to measure the quality of a representation by the complexity of learning a predictor on top of the representation that achieves…

Machine Learning · Computer Science 2021-02-08 William F. Whitney , Min Jae Song , David Brandfonbrener , Jaan Altosaar , Kyunghyun Cho

Manifold learning (ML), known also as non-linear dimension reduction, is a set of methods to find the low dimensional structure of data. Dimension reduction for large, high dimensional data is not merely a way to reduce the data; the new…

Machine Learning · Statistics 2023-11-08 Marina Meilă , Hanyu Zhang

Recent developments in Machine Learning approaches for modelling physical systems have begun to mirror the past development of numerical methods in the computational sciences. In this survey, we begin by providing an example of this with…

Machine Learning · Computer Science 2023-04-04 Artur P. Toshev , Ludger Paehler , Andrea Panizza , Nikolaus A. Adams
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