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Lagrangian Neural Networks (LNNs) are a powerful tool for addressing physical systems, particularly those governed by conservation laws. LNNs can parametrize the Lagrangian of a system to predict trajectories with nearly conserved energy.…

Machine Learning · Computer Science 2025-07-29 Viviana Alejandra Diaz , Leandro Martin Salomone , Marcela Zuccalli

Physics-informed neural networks (PINNs) have attracted considerable attention for their ability to integrate partial differential equation priors into deep learning frameworks; however, they often exhibit limited predictive accuracy when…

Machine Learning · Computer Science 2026-05-28 Ze Tao , Hanxuan Wang , Fujun Liu

Although neural networks have seen tremendous success as predictive models in a variety of domains, they can be overly confident in their predictions on out-of-distribution (OOD) data. To be viable for safety-critical applications, like…

Robotics · Computer Science 2022-11-17 Masha Itkina , Mykel J. Kochenderfer

Dimensionality reduction techniques are fundamental for analyzing and visualizing high-dimensional data. With established methods like t-SNE and PCA presenting a trade-off between representational power and interpretability. This paper…

Machine Learning · Computer Science 2025-04-25 Erik Bergh

Understanding and interacting with everyday physical scenes requires rich knowledge about the structure of the world, represented either implicitly in a value or policy function, or explicitly in a transition model. Here we introduce a new…

Physics-informed neural networks (PINNs) are promising to replace conventional partial differential equation (PDE) solvers by offering more accurate and flexible PDE solutions. However, they are hampered by the relatively slow convergence…

Machine Learning · Computer Science 2023-05-16 Mohammad H. Taufik , Tariq Alkhalifah

Multi-well potentials are ubiquitous in science, modeling phenomena such as phase transitions, dynamic instabilities, and multimodal behavior across physics, chemistry, and biology. In contrast to non-smooth minimum-of-mixture…

Machine Learning · Statistics 2025-06-24 Reese E. Jones , Adrian Buganza Tepole , Jan N. Fuhg

This paper proposes a novel perspective on learning, positing it as the pursuit of dynamical invariants -- data combinations that remain constant or exhibit minimal change over time as a system evolves. This concept is underpinned by both…

Artificial Intelligence · Computer Science 2024-01-22 Alex Ushveridze

Modeling complex physical dynamics is a fundamental task in science and engineering. Traditional physics-based models are sample efficient, and interpretable but often rely on rigid assumptions. Furthermore, direct numerical approximation…

Machine Learning · Computer Science 2023-03-02 Rui Wang , Rose Yu

Nonlinear dynamic models are widely used for characterizing functional forms of processes that govern complex biological pathway systems. Over the past decade, validation and further development of these models became possible due to data…

Methodology · Statistics 2019-08-13 Itai Dattner , Shota Gugushvili , Harold Ship , Eberhard O. Voit

The use of deep neural network (DNN) models as surrogates for linear and nonlinear structural dynamical systems is explored. The goal is to develop DNN based surrogates to predict structural response, i.e., displacements and accelerations,…

Machine Learning · Computer Science 2021-11-05 Nan Feng , Guodong Zhang , Kapil Khandelwal

Scientific measurements are often bottlenecked by suboptimal conditions, whether that be noise, incomplete spatial coverage, or limited resolution, rendering accurate field reconstruction a difficult task. We introduce LatentPDE, a latent…

Machine Learning · Computer Science 2026-04-28 Valerie Tsao , Nathaniel Chaney , Manolis Veveakis

As Graph Neural Networks (GNNs) have been widely used in real-world applications, model explanations are required not only by users but also by legal regulations. However, simultaneously achieving high fidelity and low computational costs…

Machine Learning · Computer Science 2023-06-12 Yao Rong , Guanchu Wang , Qizhang Feng , Ninghao Liu , Zirui Liu , Enkelejda Kasneci , Xia Hu

The ability to predict future states of the environment is a central pillar of intelligence. At its core, effective prediction requires an internal model of the world and an understanding of the rules by which the world changes. Here, we…

Machine Learning · Computer Science 2016-01-21 William Lotter , Gabriel Kreiman , David Cox

Dimensionality reduction is an effective method for learning high-dimensional data, which can provide better understanding of decision boundaries in human-readable low-dimensional subspace. Linear methods, such as principal component…

Machine Learning · Computer Science 2020-07-09 Koji Maruhashi , Heewon Park , Rui Yamaguchi , Satoru Miyano

Symbolic regression is a machine learning technique that can learn the governing formulas of data and thus has the potential to transform scientific discovery. However, symbolic regression is still limited in the complexity and…

Machine Learning · Computer Science 2023-05-30 Michael Zhang , Samuel Kim , Peter Y. Lu , Marin Soljačić

We propose a novel framework seamlessly providing key properties of both neural nets (learning) and symbolic logic (knowledge and reasoning). Every neuron has a meaning as a component of a formula in a weighted real-valued logic, yielding a…

Time-varying linear state-space models are powerful tools for obtaining mathematically interpretable representations of neural signals. For example, switching and decomposed models describe complex systems using latent variables that evolve…

Recent works have shown that physics-inspired architectures allow the training of deep graph neural networks (GNNs) without oversmoothing. The role of these physics is unclear, however, with successful examples of both reversible (e.g.,…

Machine Learning · Computer Science 2023-12-22 Anthony Gruber , Kookjin Lee , Nathaniel Trask

We develop a general approach to distill symbolic representations of a learned deep model by introducing strong inductive biases. We focus on Graph Neural Networks (GNNs). The technique works as follows: we first encourage sparse latent…

Machine Learning · Computer Science 2020-11-19 Miles Cranmer , Alvaro Sanchez-Gonzalez , Peter Battaglia , Rui Xu , Kyle Cranmer , David Spergel , Shirley Ho