arXiv Machine Learning

Graph-Recurrent Learning of Emergent Collective Dynamics

The paper introduces a graph-recurrent neural network (GRNN) that learns emergent collective dynamics directly from trajectory data, without requiring explicit microscopic equations of motion. The GRNN combines gated recurrent memory with graph message passing, allowing local hidden states to capture information beyond instantaneous observables and to propagate spatially. The authors validate the approach on the semiclassical Holstein model, successfully reproducing temporal and spatial correlations and dynamical scaling during domain coarsening of charge-density-wave order.

arXiv Machine Learning
Oct 21

Physics Inspired Neural Networks Enable Efficient Graph Coloring

The paper introduces a physics-inspired neural framework that combines graph neural networks with statistical‑mechanics principles to solve large‑scale graph coloring problems. By using a planting‑based supervised signal, symmetry‑breaking regularization, and iterative noise‑annealed neural dynamics, the model navigates complex solution landscapes and scales quadratically with graph size. It generalizes from small training graphs to instances up to 20 times larger, demonstrating that neural architectures can learn scalable algorithmic strategies effective in hard connectivity regions.

By Lorenzo Colantonio (Department of Physics, Sapienza University of Rome), Andrea Cacioppo (Department of Physics, Sapienza University of Rome), Federico Scarpati (Department of Physics, Sapienza University of Rome), Maria Chiara Angelini (Department of Physics, Sapienza University of Rome), Federico Ricci-Tersenghi (Department of Physics, Sapienza University of Rome), Stefano Giagu (Department of Physics, Sapienza University of Rome)
arXiv Machine Learning
Sep 21

Transformers Discover Molecular Structure Without Graph Priors

The paper investigates whether machine learning models can uncover physical patterns in atomistic data without relying on traditional physics-based inductive biases such as geometric locality or graph structures. By training a general-purpose architecture on molecular simulation data, the authors demonstrate that the model autonomously learns interatomic interaction strengths resembling classical electrostatics and identifies interaction cutoffs aligned with established physical models. The study also reports predictable neural scaling behavior and competitive accuracy on certain metrics compared to physics-informed architectures, suggesting that explicit priors may only be necessary when empirically justified.

By Tobias Kreiman, Yutong Bai, Fadi Atieh, Elizabeth Weaver, Eric Qu, Aditi S. Krishnapriyan
Hugging Face Trending Papers
Sep 17

TetrisCNN for interpretable detection of phases of matter from experimental quantum simulator data

TetrisCNN is a convolutional neural network that uses parallel branches of differently shaped filters to learn sparse, interpretable latent representations directly from spin correlators. Applied to experimental snapshots of two-dimensional Ising and XY quantum simulators, it detects phase transitions and crossovers while expressing its decision boundaries as symbolic formulas built from measurable spin correlators. This approach bridges the gap between black‑box neural networks and physically interpretable models, enabling automated discovery of new phases of matter from realistic, noisy experimental data.

arXiv Machine Learning
Oct 3

Information propagation dynamics in Deep Graph Networks

The paper explores how information propagates in Deep Graph Networks (DGNs) for both static and dynamic graphs, treating DGNs as dynamical systems. It presents new architectures that better preserve long‑term node dependencies and learn complex spatio‑temporal patterns from irregular, sparsely sampled dynamic graphs. The work combines theoretical analysis with empirical results to demonstrate the effectiveness of these designs.

By Alessio Gravina
arXiv Machine Learning
Jul 7

Out-of-distribution Neural Inference in Dynamical Ising Models

arXiv:2607. 03039v1 Announce Type: new Abstract: Neural networks are increasingly used to infer hidden physical structure from dynamical observations, yet it remains unclear whether their out-of-distribution performance reflects transferable physical rule learning.

By Yuan-Bin Zhu, Shuang Qiao, Shi-Ju Ran
arXiv Machine Learning
Sep 18

TetrisCNN for interpretable detection of phases of matter from experimental quantum simulator data

TetrisCNN is a convolutional neural network that uses parallel branches of differently shaped filters to learn sparse, interpretable latent representations directly in terms of spin correlators. Applied to experimental snapshots from two-dimensional Ising and XY quantum simulators measured in multiple bases, the network detects phase transitions and crossovers while expressing its decision boundaries as symbolic formulas built from experimentally measurable spin correlators. This approach bridges the gap between black‑box neural network methods and physically interpretable models, enabling automated detection of phases of matter from realistic, noisy experimental data.

By Kacper Cybi\'nski, Bj\"orn van Zwol, James Enouen, Guillaume Bornet, Thierry Lahaye, Antoine Browaeys, Antoine Georges, Anna Dawid
arXiv Machine Learning
Oct 8

Oscillatory Neural Dynamics over Sheaves

The paper introduces ONDA, a graph learning framework that uses operator‑valued information waves to enable effective long‑range propagation in graph neural networks. ONDA evolves stalk‑valued representations through second‑order dynamics governed by learned sheaf transport operators, combining wave‑like propagation with expressive local geometry. Experiments on challenging benchmarks show that ONDA consistently outperforms scalar wave propagation, diffusive sheaf baselines, and state‑of‑the‑art models, demonstrating the advantage of coupling wave dynamics with matrix‑valued transport.

By Jan-Willem Van Looy, Alessandro Trenta, Alessio Gravina, Alessio Borgi, Ferdinando Zanchetta, Pietro Li\`o, Davide Bacciu, Rita Fioresi