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Physical AI agents, such as robots and other embodied systems operating under tight and fluctuating resource constraints, remain far less capable than biological agents in open-ended real-world environments. This paper argues that Active…

Machine Learning · Statistics 2026-03-24 Bert de Vries

We present a new method to compute free energies at a quantum mechanical (QM) level of theory from molecular simulations using cheap reference potential energy functions, such as force fields. To overcome the poor overlap between the…

Computational Physics · Physics 2023-11-13 Andrea Rizzi , Paolo Carloni , Michele Parrinello

Predicting student success or failure is vital for timely interventions and personalized support. Early failure prediction is particularly crucial, yet limited data availability in the early stages poses challenges, one of the possible…

Computers and Society · Computer Science 2025-05-13 Ikram Gagaoua , Armelle Brun , Anne Boyer

We introduce a new approach to learning in hierarchical latent-variable generative models called the "distributed distributional code Helmholtz machine", which emphasises flexibility and accuracy in the inferential process. In common with…

Machine Learning · Statistics 2018-05-29 Eszter Vertes , Maneesh Sahani

Physics-informed neural networks (PINNs) are capable of finding the solution for a given boundary value problem. We employ several ideas from the finite element method (FEM) to enhance the performance of existing PINNs in engineering…

Computational Engineering, Finance, and Science · Computer Science 2022-10-05 Shahed Rezaei , Ali Harandi , Ahmad Moeineddin , Bai-Xiang Xu , Stefanie Reese

We introduce a novel hybrid methodology combining classical finite element methods (FEM) with neural networks to create a well-performing and generalizable surrogate model for forward and inverse problems. The residual from finite element…

Computational Engineering, Finance, and Science · Computer Science 2022-05-18 Rishith Ellath Meethal , Birgit Obst , Mohamed Khalil , Aditya Ghantasala , Anoop Kodakkal , Kai-Uwe Bletzinger , Roland Wüchner

Free energy perturbation (FEP) is considered the gold-standard simulation method for estimating small molecule binding affinity, a quantity of vital importance to drug discovery. The accuracy of FEP critically depends on an accurate model…

Modern machine learning optimizes for accuracy without explicit treatment of internal computational cost, even though physical and biological systems operate under intrinsic energy constraints. We evaluate energy-aware learning across 2,203…

Machine Learning · Computer Science 2026-05-01 Martin G. Frasch

We present an approach that extends the theory of targeted free energy perturbation (TFEP) to calculate free energy differences and free energy surfaces at an accurate quantum mechanical level of theory from a cheaper reference potential.…

Computational Physics · Physics 2021-11-15 Andrea Rizzi , Paolo Carloni , Michele Parrinello

Optimal Power Flow (OPF) is a core optimization problem in power system operation and planning, aiming to minimize generation costs while satisfying physical constraints such as power flow equations, generator limits, and voltage limits.…

Machine Learning · Computer Science 2025-12-02 Xuezhi Liu

The Free Energy Principle (FEP) describes (biological) agents as minimising a variational Free Energy (FE) with respect to a generative model of their environment. Active Inference (AIF) is a corollary of the FEP that describes how agents…

Machine Learning · Statistics 2025-01-03 Thijs van de Laar , Magnus Koudahl , Bert de Vries

In this work, we present a study combining two approaches in the context of solving PDEs: the continuous finite element method (FEM) and more recent techniques based on neural networks. In recent years, physics-informed neural networks…

Federated learning (FL) has emerged as a solution to deal with the risk of privacy leaks in machine learning training. This approach allows a variety of mobile devices to collaboratively train a machine learning model without sharing the…

Machine Learning · Computer Science 2022-12-01 Young Geun Kim , Carole-Jean Wu

We show how any system with morphological degrees of freedom and locally limited free energy will, under the constraints of the free energy principle, evolve toward a neuromorphic morphology that supports hierarchical computations in which…

Quantum Physics · Physics 2023-02-28 Chris Fields , Karl Friston , James F. Glazebrook , Michael Levin , Antonino Marcianò

We present a machine learning approach for model-independent new physics searches. The corresponding algorithm is powered by recent large-scale implementations of kernel methods, nonparametric learning algorithms that can approximate any…

High Energy Physics - Phenomenology · Physics 2022-10-17 Marco Letizia , Gianvito Losapio , Marco Rando , Gaia Grosso , Andrea Wulzer , Maurizio Pierini , Marco Zanetti , Lorenzo Rosasco

Performance optimization of deep learning models is conducted either manually or through automatic architecture search, or a combination of both. On the other hand, their performance strongly depends on the target hardware and how…

Machine Learning · Computer Science 2022-09-23 Vahid Partovi Nia , Alireza Ghaffari , Mahdi Zolnouri , Yvon Savaria

In this paper, we present a novel learning-aided energy management scheme ($\mathtt{LEM}$) for multihop energy harvesting networks. Different from prior works on this problem, our algorithm explicitly incorporates information learning into…

Optimization and Control · Mathematics 2015-03-23 Longbo Huang

Federated edge learning (FEEL) is a promising distributed learning technique for next-generation wireless networks. FEEL preserves the user's privacy, reduces the communication costs, and exploits the unprecedented capabilities of edge…

Machine Learning · Computer Science 2021-04-13 Abdullatif Albaseer , Mohamed Abdallah , Ala Al-Fuqaha , Aiman Erbad

Active inference is a normative framework for explaining behaviour under the free energy principle -- a theory of self-organisation originating in neuroscience. It specifies neuronal dynamics for state-estimation in terms of a descent on…

Neurons and Cognition · Quantitative Biology 2021-10-26 Lancelot Da Costa , Thomas Parr , Biswa Sengupta , Karl Friston

We present a methodology combining neural networks with physical principle constraints in the form of partial differential equations (PDEs). The approach allows to train neural networks while respecting the PDEs as a strong constraint in…

Numerical Analysis · Mathematics 2021-09-06 Sebastian K. Mitusch , Simon W. Funke , Miroslav Kuchta