Inference problems in graphical models can be represented as a constrained optimization of a free energy function. It is known that when the Bethe free energy is used, the fixedpoints of the belief propagation (BP) algorithm correspond to the local minima of the free energy. However BP fails to converge in many cases o…
mAIS improves free energy evaluation efficiency.
problem Computational infeasibility of exact free energy evaluation.
method mAIS, a marginalized version of AIS.
result mAIS is more efficient under certain conditions.
Bayesian inference learns free energy landscapes from experimental data.
problem Characterize the free energy landscape of classical many-body systems from experimental data.
method Combines non-parametric Bayesian inference with physically-motivated constraints to automate the construction of approximate free energy functionals.
result Inference algorithms yield a probability distribution over free energy functionals, leading to highly accurate analytic expressions.
Study on existence of ground states for free energy on hyperbolic space.
problem Existence of ground states for a free energy functional on hyperbolic space.
method Derived HLS-type inequalities on Cartan-Hadamard manifolds to prove existence.
result Established conditions for the existence of ground states on hyperbolic space.
Bayesian free energy remains bounded for deep ReLU networks in overparametrized cases.
problem Understanding the generalization performance of deep ReLU neural networks.
method Analyzes Bayesian free energy in overparametrized deep ReLU neural networks.
result Bayesian free energy is bounded even in overparametrized deep ReLU networks.
We use matricial free energy to regularize autoencoders, producing Gaussian-like codes.
problem Generating Gaussian-like codes for autoencoders.
method Define a differentiable loss function based on singular values of the code matrix, minimizing matricial free energy.
result Minimizing matricial free energy results in Gaussian-like codes that generalize.
Unified framework for planning under uncertainty using variational inference.
problem Planning under uncertainty with separate objectives for exploration and exploitation.
method Variational inference on a generative model augmented with priors.
result EFE-based planning emerges as variational inference, enabling scalable, resource-aware policies.
A neural network model minimizes region-based free energy for faster inference in MRFs.
problem Efficient inference in complex Markov random fields (MRFs).
method Region-based Energy Neural Network (RENN) that directly minimizes region-based free energy.
result RENN outperforms other methods in marginal distribution estimation, partition function estimation, and MRF learning.
Controller seeks informative system observations to predict nonlinear dynamics.
problem Predicting nonlinear dynamics with uncertain parameters.
method Expected free energy minimization for balancing goal state and informative observations.
result Controller improves performance in uncertain parameter scenarios.
The free energy functional has recently been proposed as a variational principle for bounded rational decision-making, since it instantiates a natural trade-off between utility gains and information processing costs that can be axiomatically derived. Here we apply the free energy principle to general decision trees tha…
New algorithms learn latent variable models without tuning, outperforming existing methods.
problem Learning latent variable models without manual tuning.
method Two particle-based algorithms using free energy minimization and coin betting.
result Learning algorithms are entirely tuning-free and competitive with existing methods.
Novel ML model predicts solvation free energies from atom interactions.
problem Predicting solvation free energies from atomistic interactions.
method Two encoding functions extract atomic feature vectors, interactions calculated by inner product.
result Outstanding performance and transferability on 6,493 experimental measurements.
Synthetic approach to pluripotential theory measures finite energy.
problem Global pluripotential theory on compact Kähler manifolds and projective Berkovich spaces.
method Definition and study of measures of finite energy, introduction of twisted and free energy functionals.
result Coercivity of energy functionals is an open condition with respect to polarization.
FEAT estimates free energy using adaptive transports.
problem Estimating free energy across scientific domains.
method Uses learned transports and stochastic interpolants.
result Provides consistent, minimum-variance estimators.
Researchers created an accurate kinetic energy functional for materials modeling.
problem Lack of accurate analytic kinetic energy functionals for large-scale ab initio materials modeling.
method Interpretative machine learning of crystal cell-averaged kinetic energy densities guided by a hybrid Gaussian process regression - neural network (GPR-NN) method.
result Constructed an analytic kinetic energy functional that reproduces Kohn-Sham DFT energy-volume curves with sufficient accuracy.
We calculate the free energy of Coulomb gas systems on Riemann surfaces.
problem Analyzing the free energy of Coulomb gas systems on Riemann surfaces.
method Using bosonization formula and analytic torsion, we derive the asymptotic expansion of the partition function.
result We prove the geometric version of the Zabrodin-Wiegmann conjecture in the determinantal case.
Adaptive approximations improve variational inference for complex models.
problem Efficiently approximate marginal distributions and partition functions in complex probabilistic models.
method Two classes of adaptive approximations that include Bethe, tree-reweighted, and convex free energies.
result Proposed approximations automatically adapt to a given model and outperform existing methods.
This work develops machine learning for micromagnetic energy minimization.
problem Minimizing Gibbs free energy in full 3D micromagnetic simulations.
method Advanced machine learning techniques, including Physics-Informed Neural Networks (PINNs) and Extreme Learning Machines (ELMs), with reformulated bounds and optimization schemes.
result Competitive performance of machine learning methods compared to traditional numerical approaches.
SRFE clarifies KL divergences without unifying learning frameworks.
problem Inductive biases of KL divergences and their limitations.
method Introducing SRFE, a log-moment-based functional of the likelihood ratio.
result SRFE recovers KL divergences as limits and reveals a mean-variance tradeoff.
Deep neural networks improve free energy calculations for peptide conformations.
problem Challenges in developing suitable mappings for free energy perturbation.
method Adapted machine learning approach to train deep neural networks for mapping between Boltzmann distributions.
result Accurate free energy differences calculated between thermodynamic states with spring centers separated by 1 Å and sometimes 2 Å.
A new algebra for Frobenius manifolds solves PDEs and constraints.
problem Understanding the algebraic structure of Frobenius manifolds.
method Constructing a Virasoro-like algebra and deriving PDEs and constraints.
result Solves a family of quadratic PDEs for the genus-zero free energy.
New method learns discrete graph diffusion via free-energy gradient flows.
problem Challenges in translating continuous diffusion models to discrete spaces.
method Proposes a novel computational approach using a specific metric on the simplex.
result Recover the underlying functional for various graph classes.
Paper connects free-energy and low-degree hardness in high-dimensional statistics.
problem High-dimensional statistical inference problems are computationally hard.
method Defines a free-energy criterion and connects it to low-degree hardness.
result Establishes connection between free-energy and low-degree hardness for Gaussian models.
The paper proposes a thermodynamic potential to guide training of generative models, breaking ergodicity to improve functionality.
problem Improving generative model functionality while limiting access to underrepresented patterns.
method Constructing a thermodynamic potential that guides training, leading to multiple minima in the free energy.
result Training a generative model breaks ergodicity, preventing escape into the high-temperature phase.
EnVAE uses energy score for likelihood-free VAEs, improving image reconstructions.
problem Likelihood misspecification in VAEs leads to blurry reconstructions and poor data fidelity.
method Deterministic decoder, energy score as reconstruction loss, fast variant for efficiency.
result EnVAE achieves superior reconstruction and generation quality compared to likelihood-based baselines.
New result on critical points of Bethe free energy under deformation retracts.
problem Characterizing critical points of Bethe free energy for complex graphs.
method Analyzing homotopy types and deformation retracts of factor graphs.
result Critical points of Bethe free energy are invariant under deformation retracts.
New model estimates Gibbs free energies using machine learning and isobaric-isothermal flows.
problem Estimating Gibbs free energies for complex systems.
method Normalizing flows trained to sample isobaric-isothermal ensemble.
result Excellent agreement with established baselines for water phases.
Study of phase separation and geometry on a closed elastic curve, including dynamics and free energy minimization.
problem Free energy and dynamics of a closed elastic filament coupled to a scalar concentration field.
method Analytical and numerical simulations of coupled Willmore flow and Cahn--Hilliard gradient flow on differential geometry.
result Qualitative changes in free energy landscape due to closure constraint, leading to metastable and stable multi-domain morphologies.
Enhances predictive models against misspecification and outliers.
problem Suboptimal generalization under misspecification and outliers.
method Combines PACm ensemble bounds with a generalized logarithm score function. result Produces predictive distributions resistant to both misspecification and outliers.
Active inference minimizes expected free energy for optimal behavior.
problem Understanding and optimizing behavior in complex systems.
method Combines Bayesian decision theory, optimal Bayesian design, and the free energy principle.
result Active inference emerges as a unified framework for information-seeking, utility maximization, and goal-directed behavior.
From minimal surfaces such as Simons' cone and catenoids, using refined Lyapunov-Schmidt reduction method, we construct new solutions for a free boundary problem whose free boundary has two components. In dimension 8, using variational arguments, we also obtain solutions which are global minimizers of the correspondi…
Paper analyzes the free energy of CNNs with skip connections in Bayesian learning.
problem Dependency of CNNs with skip connections on the number of parameters.
method Examines the Bayesian free energy of CNNs with and without skip connections.
result The upper bound of free energy of Bayesian CNN with skip connections does not depend on overparametrization.
The paper studies entropy and free energy for harmonic metrics on cyclic Higgs bundles.
problem Quantifying the degree of mutual misalignment of metrics on Higgs bundles.
method Introduced entropy and free energy to quantify mutual misalignment; provided conditions for entropy and free energy to change.
result Extended work on boundedness of functions related to entropy and free energy on the unit disc.
Lipid-bilayers are the fundamental constituents of the walls of most living cells and lipid vesicles, giving them shape and compartment. The formation and growing of pores in a lipid bilayer have attracted considerable attention from an energetic point of view in recent years. Such pores permit targeted delivery of dru…
We address the problem of computing approximate marginals in Gaussian probabilistic models by using mean field and fractional Bethe approximations. We define the Gaussian fractional Bethe free energy in terms of the moment parameters of the approximate marginals, derive a lower and an upper bound on the fractional Beth…
We prove that for a uniformly convex Lagrangian system L on a compact manifold M, almost all energy levels contain a periodic orbit. We also prove that below Ma ne's critical value of the lift of the Lagrangian to the universal cover, almost all energy levels have conjugate points. We prove that if the energy level [E=…
Study finds surfaces in spherical caps that maximize modified energy.
problem Geometry of surfaces with free boundaries and capillary conditions.
method Monotonicity formulae and energy maximization analysis.
result Capillary minimal surfaces maximize a modified energy in their conformal orbit.
This article investigates stationary surfaces with boundaries, which arise as the critical points of functionals dependent on curvature. Precisely, a generalized "bending energy" functional W is considered which involves a Lagrangian that is symmetric in the principal curvatures. The first variation of $\ma…
New algorithm trains latent diffusion models using interacting particles.
problem Training latent diffusion models efficiently and accurately.
method Reformulate training as minimizing a free energy functional, then approximate with interacting particles.
result The new algorithm outperforms previous methods in experiments.
Paper proposes energy objective for training normalizing flows without determinants.
problem Challenges in training normalizing flows due to Jacobian determinants.
method Introduces energy objective based on proper scoring rules, determinant-free.
result Energy objective supports novel model families and competitive performance.
In this paper, we prove the existence of energy minimizers in each free homotopy class of maps between polyhedra with target space without focal points. Our proof involves a careful study of some geometric properties of riemannian polhyedra without focal points. Among other things, we show that on the relevant polyhedr…
In this article we present a continuous time model for natural gas and crude oil future prices. Its main feature is the possibility to link both energies in the long term and in the short term. For each energy, the future returns are represented as the sum of volatility functions driven by motions. Under the risk neutr…
New particle algorithms optimize latent variable models.
problem Optimizing latent variable models for maximum likelihood estimation.
method Identify gradient flows associated with free energy functional and discretize them to create particle-based algorithms.
result Novel particle algorithms scale to high-dimensional settings and perform well in experiments.
Study free energy in spherical spin glasses, proving universality dichotomy.
problem Analyzing free energy in spherical spin glass models with different tail exponents.
method Introduced a tail-adapted normalization and used universality dichotomy.
result Sharp universality dichotomy for free energy across different tail exponents.
Paper improves zero-shot protein stability prediction by clarifying free-energy foundations.
problem Improving zero-shot protein stability prediction using inverse folding models.
method Clarifying the free-energy foundations of inverse folding models and proposing better estimates of relative stability.
result Significant gains in zero-shot performance can be achieved with simple methods.
This paper generalizes neural transport learning for free energy estimation in arbitrary state spaces.
problem Efficient estimation of free energy in various state spaces.
method Generalized neural transport learning approach for arbitrary state spaces.
result Validation of the proposed method's effectiveness and efficiency in diverse settings.
Motivated by the problem of optimal portfolio liquidation under transient price impact, we study the minimization of energy functionals with completely monotone displacement kernel under an integral constraint. The corresponding minimizers can be characterized by Fredholm integral equations of the second type with cons…
Paper finds relations between Willmore-type energies, weighted areas, and vertical potential energies for cylindrical critical points.
problem Tackles relations between three types of energy functions for cylindrical critical points.
method Uses differential equations and critical point analysis for Willmore-type energies and weighted areas.
result Generating curves coincide for Willmore-type energies and weighted areas, and similar results hold for Willmore-type energies and vertical potential energies.