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Machine learning (ML) models have achieved strikingly high accuracies in spectroscopic classification tasks, often without a clear proof that those models used chemically meaningful features. Existing studies have linked these results to…

Machine Learning · Computer Science 2026-04-07 Umberto Michelucci , Francesca Venturini

Continual Learning (CL) aims to enable models to sequentially learn multiple tasks without forgetting previous knowledge. Recent studies have shown that optimizing towards flatter loss minima can improve model generalization. However,…

Machine Learning · Computer Science 2026-01-13 Yanan Chen , Tieliang Gong , Yunjiao Zhang , Wen Wen

Large-scale neural networks possess considerable expressive power. They are well-suited for complex learning tasks in industrial applications. However, large-scale models pose significant challenges for training under the current Federated…

Machine Learning · Computer Science 2025-04-23 Yuanyuan Chen , Zichen Chen , Pengcheng Wu , Han Yu

The representation of feature space is a crucial environment where data points get vectorized and embedded for subsequent modeling. Thus the efficacy of machine learning (ML) algorithms is closely related to the quality of feature…

Machine Learning · Computer Science 2026-01-12 Xinhao Zhang , Jinghan Zhang , Banafsheh Rekabdar , Yuanchun Zhou , Pengfei Wang , Kunpeng Liu

Dynamic feature selection (DFS) is a machine learning framework in which features are acquired sequentially for individual samples under budget constraints. The exponential growth in the number of possible feature acquisition paths forces a…

Machine Learning · Computer Science 2026-05-13 Javier Fumanal-Idocin , Raquel Fernandez-Peralta , Javier Andreu-Perez

Neural networks represent more features than they have dimensions via superposition, forcing features to share representational space. Current methods decompose activations into sparse linear features but discard geometric structure. We…

Machine Learning · Computer Science 2026-02-03 Georgi Ivanov , Narmeen Oozeer , Shivam Raval , Tasana Pejovic , Shriyash Upadhyay , Amir Abdullah

Diffusion models have achieved remarkable success in generating high-quality images thanks to their novel training procedures applied to unprecedented amounts of data. However, training a diffusion model from scratch is computationally…

Machine Learning · Computer Science 2023-03-28 Michał Zając , Kamil Deja , Anna Kuzina , Jakub M. Tomczak , Tomasz Trzciński , Florian Shkurti , Piotr Miłoś

We present Manifold Diffusion Fields (MDF), an approach that unlocks learning of diffusion models of data in general non-Euclidean geometries. Leveraging insights from spectral geometry analysis, we define an intrinsic coordinate system on…

Machine Learning · Computer Science 2024-01-23 Ahmed A. Elhag , Yuyang Wang , Joshua M. Susskind , Miguel Angel Bautista

Pruning is a model compression method that removes redundant parameters in deep neural networks (DNNs) while maintaining accuracy. Most available filter pruning methods require complex treatments such as iterative pruning, features…

Computer Vision and Pattern Recognition · Computer Science 2023-03-28 Yue Wu , Yuan Lan , Luchan Zhang , Yang Xiang

Modeling of turbulent flows is still challenging. One way to deal with the large scale separation due to turbulence is to simulate only the large scales and model the unresolved contributions as done in large-eddy simulation (LES). This…

Computational Physics · Physics 2019-10-03 Mathis Bode , Michael Gauding , Konstantin Kleinheinz , Heinz Pitsch

The scientific computation methods development in conjunction with artificial intelligence technologies remains a hot research topic. Finding a balance between lightweight and accurate computations is a solid foundation for this direction.…

Machine Learning · Computer Science 2025-07-03 Nikita Sakovich , Dmitry Aksenov , Ekaterina Pleshakova , Sergey Gataullin

The accuracy of the information that can be extracted from electron diffraction patterns is often limited by the presence of optical distortions. Existing distortion characterization techniques typically require knowledge of the reciprocal…

We consider increasingly complex models of matrix denoising and dictionary learning in the Bayes-optimal setting, in the challenging regime where the matrices to infer have a rank growing linearly with the system size. This is in contrast…

Information Theory · Computer Science 2022-09-14 Jean Barbier , Nicolas Macris

This paper proposes a fully decentralized federated learning (FL) scheme for Internet of Everything (IoE) devices that are connected via multi-hop networks. Because FL algorithms hardly converge the parameters of machine learning (ML)…

Networking and Internet Architecture · Computer Science 2022-10-05 Akihito Taya , Takayuki Nishio , Masahiro Morikura , Koji Yamamoto

The recently proposed fully-connected tensor network (FCTN) decomposition has demonstrated significant advantages in correlation characterization and transpositional invariance, and has achieved notable achievements in multi-dimensional…

Machine Learning · Computer Science 2026-02-16 Wenjin Qin , Hailin Wang , Jiangjun Peng , Jianjun Wang , Tingwen Huang

Overparameterized models have proven to be powerful tools for solving various machine learning tasks. However, overparameterization often leads to a substantial increase in computational and memory costs, which in turn requires extensive…

Machine Learning · Computer Science 2024-03-13 Soo Min Kwon , Zekai Zhang , Dogyoon Song , Laura Balzano , Qing Qu

The formally exact framework of equilibrium Density Functional Theory (DFT) is capable of simultaneously and consistently describing thermodynamic and structural properties of interacting many-body systems in arbitrary external potentials.…

This thesis addresses two persistent and closely related challenges in modern deep learning, reliability and efficiency, through a unified framework grounded in Spectral Geometry and Random Matrix Theory (RMT). As deep networks and large…

Machine Learning · Computer Science 2026-02-27 Davide Ettori

Masked diffusion models have emerged as a powerful framework for text and multimodal generation. However, their sampling procedure updates multiple tokens simultaneously and treats generated tokens as immutable, which may lead to error…

Motivation: Accurate estimation of false discovery rate (FDR) of spectral identification is a central problem in mass spectrometry-based proteomics. Over the past two decades, target decoy approaches (TDAs) and decoy-free approaches (DFAs),…

Quantitative Methods · Quantitative Biology 2020-09-18 Yisu Peng , Shantanu Jain , Yong Fuga Li , Michal Gregus , Alexander R. Ivanov , Olga Vitek , Predrag Radivojac