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Machine learning has emerged as a powerful approach in materials discovery. Its major challenge is selecting features that create interpretable representations of materials, useful across multiple prediction tasks. We introduce an…

Amphiphilic molecules spontaneously form self-assembled structures of various shapes depending on their molecular structures, the temperature, and other physical conditions. The functionalities of these structures are dictated by their…

Soft Condensed Matter · Physics 2024-04-18 Takeo Sudo , Satoki Ishiai , Yuuki Ishiwatari , Takahiro Yokoyama , Kenji Yasuoka , Noriyoshi Arai

We study the yielding transition of a two dimensional amorphous system under shear by using a mesoscopic elasto-plastic model. The model combines a full (tensorial) description of the elastic interactions in the system, and the possibility…

Materials Science · Physics 2017-08-23 E. A. Jagla

Why do language models from different architecture families respond so differently to the same perturbation? We argue that the answer is not scale, but \emph{how architecture shapes information compression}. Analyzing eight Transformer…

Computation and Language · Computer Science 2026-05-07 Yukin Zhang , Qi Dong , Kemu Xu

Special bases of orthogonal polynomials are defined, that are suited to expansions of density and potential perturbations under strict particle number conservation. Particle-hole expansions of the density response to an arbitrary…

Nuclear Theory · Physics 2009-11-11 B. G. Giraud , A. Weiguny , L. Wilets

Informative and discriminative feature descriptors play a fundamental role in deformable shape analysis. For example, they have been successfully employed in correspondence, registration, and retrieval tasks. In the recent years,…

Computer Vision and Pattern Recognition · Computer Science 2011-10-25 Alexander M. Bronstein

It is known that, without awareness of the process, our brain appears to focus on the general shape of objects rather than superficial statistics of context. On the other hand, learning autonomously allows discovering invariant regularities…

Computer Vision and Pattern Recognition · Computer Science 2020-03-31 Nader Asadi , Amir M. Sarfi , Mehrdad Hosseinzadeh , Zahra Karimpour , Mahdi Eftekhari

Many complex tasks can be decomposed into simpler, independent parts. Discovering such underlying compositional structure has the potential to enable compositional generalization. Despite progress, our most powerful systems struggle to…

The transform under study is defined by integration of functions over spheres centered on a sphere. Such transform is of interest due to its applications in analysis and (thermoacoustic) tomography. The range of this transform has been…

Analysis of PDEs · Mathematics 2009-04-28 Mark Agranovsky , Linh V. Nguyen

Self-organization is ubiquitous in nature and mind. However, machine learning and theories of cognition still barely touch the subject. The hurdle is that general patterns are difficult to define in terms of dynamical equations and…

Artificial Intelligence · Computer Science 2023-02-07 Danilo Vasconcellos Vargas , Tham Yik Foong , Heng Zhang

In the growing domain of scientific machine learning, in-context operator learning has shown notable potential in building foundation models, as in this framework the model is trained to learn operators and solve differential equations…

Machine Learning · Computer Science 2024-02-02 Liu Yang , Siting Liu , Stanley J. Osher

The intersection of physics and machine learning has given rise to the physics-enhanced machine learning (PEML) paradigm, aiming to improve the capabilities and reduce the individual shortcomings of data- or physics-only methods. In this…

Machine Learning · Computer Science 2024-04-23 Marcus Haywood-Alexander , Wei Liu , Kiran Bacsa , Zhilu Lai , Eleni Chatzi

Developing foundational world models is a key research direction for embodied intelligence, with the ability to adapt to non-stationary environments being a crucial criterion. In this work, we introduce a new formalism, Hidden…

Machine Learning · Computer Science 2024-11-05 Emiliyan Gospodinov , Vaisakh Shaj , Philipp Becker , Stefan Geyer , Gerhard Neumann

We investigate the use of sparse coding and dictionary learning in the context of multitask and transfer learning. The central assumption of our learning method is that the tasks parameters are well approximated by sparse linear…

Machine Learning · Computer Science 2014-06-17 Andreas Maurer , Massimiliano Pontil , Bernardino Romera-Paredes

Well-calibrated probabilistic regression models are a crucial learning component in robotics applications as datasets grow rapidly and tasks become more complex. Unfortunately, classical regression models are usually either probabilistic…

Machine Learning · Computer Science 2023-09-12 Hany Abdulsamad , Peter Nickl , Pascal Klink , Jan Peters

In machine learning we often encounter structured output prediction problems (SOPPs), i.e. problems where the output space admits a rich internal structure. Application domains where SOPPs naturally occur include natural language…

Machine Learning · Computer Science 2021-06-03 Waleed Mustafa , Yunwen Lei , Antoine Ledent , Marius Kloft

In recent years, significant progress has been made in the development of machine learning potentials (MLPs) for atomistic simulations with applications in many fields from chemistry to materials science. While most current MLPs are based…

Chemical Physics · Physics 2023-05-19 Tsz Wai Ko , Jonas A. Finkler , Stefan Goedecker , Jörg Behler

The evolution of both quantum and classical ensembles may be described via the probability density P on configuration space, its canonical conjugate S, and an_ensemble_ Hamiltonian H[P,S]. For quantum ensembles this evolution is, of course,…

Quantum Physics · Physics 2009-11-10 Michael J. W. Hall

Decoder-only language models have the ability to dynamically switch between various computational tasks based on input prompts. Despite many successful applications of prompting, there is very limited understanding of the internal mechanism…

Computation and Language · Computer Science 2025-02-13 Artem Kirsanov , Chi-Ning Chou , Kyunghyun Cho , SueYeon Chung

Language is an effective medium for bi-directional communication in human-robot teams. To infer the meaning of many instructions, robots need to construct a model of their surroundings that describe the spatial, semantic, and metric…

Robotics · Computer Science 2019-09-24 Ethan Fahnestock , Siddharth Patki , Thomas M. Howard