arXiv:2607. 27000v1 Announce Type: cross Abstract: Optimization in non-convex neural network models is strongly influenced by the geometry of the solution space: sparse, isolated, point-like clusters are typically algorithmically inaccessible, whereas wide and flat regions can be found efficiently despite being relatively rare.
By Enrico M. Malatesta, Alessandra Passalacqua, Riccardo Zecchina
arXiv:2608. 11911v1 Announce Type: cross Abstract: A central promise of useful quantum advantage is the ability to compute ground states of Hamiltonian systems beyond the reach of classical simulation methods.
By Timothy Heightman, Elena Orlova, Philip Mantrov, Aleksei Ustimenko
The review explores how control theory, optimal transport, probabilistic inference, non‑equilibrium thermodynamics, and machine learning are interconnected through the optimization of free‑energy‑like functionals under dynamical or statistical constraints. It presents a conceptual thread linking these five fields and illustrates the ideas with applications in reinforcement learning, variational inference, and generative modeling. The article is written for readers without prior familiarity, beginning with physics principles.
By Emmy Blumenthal, Nikolas Claussen, Benjamin Eysenbach, Catherine Ji, Gautam Reddy, Colin Scheibner, Benjamin Sorkin
arXiv:2607. 11555v1 Announce Type: new Abstract: Learning neural set functions is pivotal to a wide range of important applications, including compound selection in AI-driven drug discovery and product recommendation.
By Yongquan Shi, Zijing Ou, Shiping Wang, Yatao Bian
arXiv:2609.15894v1 Announce Type: cross
Abstract: Some of the sharpest challenges in sampling from the energy functions of physical systems arise at phase transitions, where the density of states cha...
By David Yallup
arXiv:2606. 22984v2 Announce Type: replace-cross Abstract: Efficient sampling of the Boltzmann distribution in frustrated spin glasses is central to statistical mechanics and combinatorial optimization.
By Lu Zhong, Wenli Duan, Jing Liu, Pan Zhang, Ying Tang
arXiv:2412. 04177v2 Announce Type: replace Abstract: Recently, there has been an increasing interest in performing post-hoc uncertainty estimation about the predictions of pre-trained deep neural networks (DNNs).
By Luis A. Ortega, Sim\'on Rodr\'iguez-Santana, Daniel Hern\'andez-Lobato
arXiv:2206. 04359v3 Announce Type: replace Abstract: One of the fundamental challenges in the deep learning community is to theoretically understand how well a deep neural network generalizes to unseen data.
By Chengli Tan, Jiangshe Zhang, Junmin Liu, Yihong Gong
arXiv:2603. 11249v4 Announce Type: replace Abstract: Accurate prediction of phase equilibria remains a central challenge in chemical engineering.
By Karim K. Ben Hicham, Moreno Ascani, Jan G. Rittig, Alexander Mitsos
The paper introduces a curvature‑aware Expected Free Energy (EFE) acquisition function for Bayesian optimization, designed to jointly learn and optimize an underlying function. It demonstrates that, under certain assumptions, EFE reduces to familiar criteria such as Upper Confidence Bound, Lower Confidence Bound, and Expected Information Gain, and provides unbiased convergence guarantees for concave functions. Empirical results on a Van der Pol oscillator system identification task and a two‑dimensional oscillatory benchmark show that the adaptive EFE achieves competitive performance in both regret and mean squared error, outperforming typical acquisition functions that excel in only one metric.
By Ajith Anil Meera, Wouter Kouw
arXiv:2608. 02844v1 Announce Type: cross Abstract: We develop a class of diffusion-based stochastic particle optimisation methods for loss functions with intractable gradients.
By Jiechen Jackie Zhang, O. Deniz Akyildiz
arXiv:2412. 08951v3 Announce Type: replace Abstract: Scalable algorithms of posterior approximation allow Bayesian nonparametrics such as Dirichlet process mixture to scale up to larger dataset at fractional cost.
By Kart-Leong Lim, Xudong Jiang