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Local minima and the saddle points separating them in the energy landscape are known to dominate the dynamics of biopolymer folding. Here we introduce a notion of a "folding funnel" that is concisely defined in terms of energy minima and…

Biomolecules · Quantitative Biology 2009-11-13 Konstantin Klemm , Christoph Flamm , Peter F. Stadler

We argue that in fully-connected networks a phase transition delimits the over- and under-parametrized regimes where fitting can or cannot be achieved. Under some general conditions, we show that this transition is sharp for the hinge loss.…

Machine Learning · Computer Science 2020-01-08 Stefano Spigler , Mario Geiger , Stéphane d'Ascoli , Levent Sagun , Giulio Biroli , Matthieu Wyart

We numerically study the effect of adding quenched disorder in the form of randomly placed pinning sites on jamming transitions in systems that jam at a well defined point J in the clean limit. Quenched disorder decreases the jamming…

Soft Condensed Matter · Physics 2015-06-04 C. J. Olson Reichhardt , E. Groopman , Z. Nussinov , C. Reichhardt

Proteins fold to a specific functional conformation with a densely packed hydrophobic core that controls their stability. We develop a geometric, yet all-atom model for proteins that explains the universal core packing fraction of…

Soft Condensed Matter · Physics 2025-03-28 Alex T. Grigas , Zhuoyi Liu , Jack A. Logan , Mark D. Shattuck , Corey S. O'Hern

In this paper, the problem of pinning control for synchronization of complex dynamical networks is discussed. A cost function of the controlled network is defined by the feedback gain and the coupling strength of the network. An interesting…

Networking and Internet Architecture · Computer Science 2007-10-16 Rong Li , Zhisheng Duan , Guanrong Chen

The role of fixed degrees of freedom in soft/granular matter systems has broad applicability and theoretical interest. Here we address questions of the geometrical role that a scaffolding of fixed particles plays in tuning the threshold…

We investigate the unjamming response of disordered packings of frictional hard disks with the help of computer simulations. First, we generate jammed configurations of the disks and then force them to move again by local perturbations. We…

Soft Condensed Matter · Physics 2008-08-20 M. Reza Shaebani , Tamas Unger , Janos Kertesz

Training neural networks means solving a high-dimensional optimization problem. Normally the goal is to minimize a loss function that depends on what is called the network function, or in other words the function that gives the network…

Machine Learning · Computer Science 2022-11-15 Umberto Michelucci

We investigate a new sampling scheme aimed at improving the performance of particle filters whenever (a) there is a significant mismatch between the assumed model dynamics and the actual system, or (b) the posterior probability tends to…

Computation · Statistics 2019-03-20 Ömer Deniz Akyıldız , Joaquín Míguez

This paper investigates how the compositional structure of neural networks shapes their optimization landscape and training dynamics. We analyze the gradient flow associated with overparameterized optimization problems, which can be…

Machine Learning · Computer Science 2025-11-14 Arthur Castello Branco de Oliveira , Dhruv Jatkar , Eduardo Sontag

Amorphous materials as diverse as foams, emulsions, colloidal suspensions and granular media can {\em jam} into a rigid, disordered state where they withstand finite shear stresses before yielding. The jamming transition has been studied…

Soft Condensed Matter · Physics 2016-07-06 Gijs Katgert , Brian P. Tighe , Martin van Hecke

We consider a system of hard spheres close to jamming, where translation invariance is broken by pinning a randomly chosen set of particles. Using two different protocols, we generate two kinds of packings at the jamming point, isostatic…

Disordered Systems and Neural Networks · Physics 2013-08-20 Carolina Brito , Giorgio Parisi , Francesco Zamponi

We investigate the mechanical behavior of jammed knitted fabrics, where geometric confinement leads to an initially stiff mechanical response that softens into low stiffness behavior with additional applied stress. We show that the jammed…

Soft Condensed Matter · Physics 2024-11-21 Sarah E. Gonzalez , Michael S. Dimitriyev , A. Patrick Cachine , Elisabetta A. Matsumoto

A comprehensive coverage is crucial for communication, supply and transportation networks, yet it is limited by the requirement of extensive infrastructure and heavy energy consumption. Here we draw an analogy between spins in…

Physics and Society · Physics 2014-10-24 Chi Ho Yeung , K. Y. Michael Wong , Bo Li

This paper presents a supervised learning method to generate continuous cost-to-go functions of non-holonomic systems directly from the workspace description. Supervision from informative examples reduces training time and improves network…

Robotics · Computer Science 2021-03-23 Jinwook Huh , Daniel D. Lee , Volkan Isler

Deep unrolling, or unfolding, is an emerging learning-to-optimize method that unrolls a truncated iterative algorithm in the layers of a trainable neural network. However, the convergence guarantees and generalizability of the unrolled…

Machine Learning · Computer Science 2024-12-02 Samar Hadou , Navid NaderiAlizadeh , Alejandro Ribeiro

Simulations of knotting and unknotting in polymers or other filaments rely on random processes to facilitate topological changes. Here we introduce a method of \textit{topological steering} to determine the optimal pathway by which a…

Geometric Topology · Mathematics 2025-04-18 Agnese Barbensi , Alexander R. Klotz , Dimos Gkountaroulis

In this paper, the training dynamics of PINNs with a feature mapping layer via the limiting Conjugate Kernel and Neural Tangent Kernel is investigated, shedding light on the convergence of PINNs; Although the commonly used Fourier-based…

Machine Learning · Computer Science 2024-10-22 Chengxi Zeng , Tilo Burghardt , Alberto M Gambaruto

In minimum-cost inverse optimization problems, we are given a feasible solution to an underlying optimization problem together with a linear cost function, and the goal is to modify the costs by a small deviation vector so that the input…

Optimization and Control · Mathematics 2023-03-01 Kristóf Bérczi , Lydia Mirabel Mendoza-Cadena , Kitti Varga

While classical scaling, just like principal component analysis, is parameter-free, other methods for embedding multivariate data require the selection of one or several tuning parameters. This tuning can be difficult due to the…

Methodology · Statistics 2023-10-19 Ery Arias-Castro , Phong Alain Chau
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