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In this work, we present methodologies for the quantification of confidence in bottom-up coarse-grained models for molecular and macromolecular systems. Coarse-graining methods have been extensively used in the past decades in order to…

Decentralized learning enables a group of collaborative agents to learn models using a distributed dataset without the need for a central parameter server. Recently, decentralized learning algorithms have demonstrated state-of-the-art…

Machine Learning · Computer Science 2021-06-30 Yasaman Esfandiari , Sin Yong Tan , Zhanhong Jiang , Aditya Balu , Ethan Herron , Chinmay Hegde , Soumik Sarkar

Coarse graining enables the investigation of molecular dynamics for larger systems and at longer timescales than is possible at atomic resolution. However, a coarse graining model must be formulated such that the conclusions we draw from it…

This work studies gradient coding (GC) in the context of distributed training problems with unreliable communication. We propose cooperative GC (CoGC), a novel gradient-sharing-based GC framework that leverages cooperative communication…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-08 Shudi Weng , Ming Xiao , Chao Ren , Mikael Skoglund

This work presents a novel framework governing the development of an efficient, accurate, and transferable coarse-grained (CG) model of a polyether material. The proposed framework combines the two fundamentally different classical…

Speculative decoding accelerates autoregressive speech generation by letting a fast draft model propose tokens that a larger target model verifies. However, for speech LLMs that generate acoustic tokens, exact token matching is overly…

Audio and Speech Processing · Electrical Eng. & Systems 2026-01-23 Moran Yanuka , Paul Dixon , Eyal Finkelshtein , Daniel Rotman , Raja Giryes

We propose to employ the hierarchical coarse-grained structure in the artificial neural networks explicitly to improve the interpretability without degrading performance. The idea has been applied in two situations. One is a neural network…

Machine Learning · Computer Science 2024-06-19 Xi-Ci Yang , Z. Y. Xie , Xiao-Tao Yang

Using an information theoretic point of view, we investigate how a dynamics acting on a network can be coarse grained through the use of graph partitions. Specifically, we are interested in how aggregating the state space of a Markov…

Physics and Society · Physics 2017-11-07 Mauro Faccin , Michael T. Schaub , Jean-Charles Delvenne

We introduce an RG-inspired coarse-graining for extracting the collective features of data. The key to successful coarse-graining lies in finding appropriate pairs of data sets. We coarse-grain the two closest data in a regular real-space…

Data Analysis, Statistics and Probability · Physics 2023-07-19 Jonathan Landy , Tsvi Tlusty , YeongKyu Lee , YongSeok Jho

Information-theoretical quantities such as statistical distinguishability typically result from optimisations over all conceivable observables. Physical theories, however, are not generally considered valid for all mathematically allowed…

Quantum Physics · Physics 2018-05-28 Cédric Bény

This paper tackles the problem of learning a finer representation than the one provided by training labels. This enables fine-grained category retrieval of images in a collection annotated with coarse labels only. Our network is learned…

Computer Vision and Pattern Recognition · Computer Science 2020-11-30 Hugo Touvron , Alexandre Sablayrolles , Matthijs Douze , Matthieu Cord , Hervé Jégou

The combination of high-dimensionality and disparity of time scales encountered in many problems in computational physics has motivated the development of coarse-grained (CG) models. In this paper, we advocate the paradigm of data-driven…

Computational Physics · Physics 2018-03-05 L. Felsberger , P. S. Koutsourelakis

Recent approaches to evaluating Artificial General Intelligence (AGI) typically summarize a system's capability using the arithmetic mean of its proficiencies across multiple cognitive domains. While simple, this implicitly assumes…

Artificial Intelligence · Computer Science 2025-12-01 Fares Fourati

Due to the wide range of timescales that are present in macromolecular systems, hierarchical multiscale strategies are necessary for their computational study. Coarse-graining (CG) allows to establish a link between different system…

This paper tackles practical challenges in governing child centered artificial intelligence: policy texts state principles and requirements but often lack reproducible evidence anchors, explicit causal pathways, executable governance…

Computers and Society · Computer Science 2026-01-10 Wei Meng

A well-designed fine-grained categorization system usually has three contradictory requirements: accuracy (the ability to identify objects among subordinate categories); interpretability (the ability to provide human-understandable…

Computer Vision and Pattern Recognition · Computer Science 2016-10-05 Shaoli Huang , Dacheng Tao

Training large-scale artificial intelligence (AI) models demands significant computational power and energy, leading to increased carbon footprint with potential environmental repercussions. This paper delves into the challenges of training…

Machine Learning · Computer Science 2024-02-07 Jieming Bian , Lei Wang , Shaolei Ren , Jie Xu

Attribute-missing graph clustering has emerged as a significant unsupervised task, where only attribute vectors of partial nodes are available and the graph structure is intact. The related models generally follow the two-step paradigm of…

Machine Learning · Computer Science 2025-10-30 Mulin Chen , Bocheng Wang , Jiaxin Zhong , Zongcheng Miao , Xuelong Li

We present a data-driven machine-learning approach for modeling space-time socioeconomic dynamics. Through coarse-graining fine-scale observations, our modeling framework simplifies these complex systems to a set of tractable mechanistic…

Machine Learning · Computer Science 2024-07-26 James Koch , Pranab Roy Chowdhury , Heng Wan , Parin Bhaduri , Jim Yoon , Vivek Srikrishnan , W. Brent Daniel

In this paper, we discuss information-theoretic tools for obtaining optimized coarse-grained molecular models for both equilibrium and non-equilibrium molecular dynamics. The latter are ubiquitous in physicochemical and biological…

Numerical Analysis · Mathematics 2016-04-20 Vagelis Harmandaris , Evangelia Kalligiannaki , Markos A. Katsoulakis , Petr Plecháč