The paper studies harmonic graphs in the Heisenberg group and their properties.
problem No analogous theorem exists for H-minimal surfaces in the Heisenberg group. method Introduced intrinsic Dirichlet energy and studied its critical points (contact harmonic graphs).
result Calibration condition and construction of energy-minimizing graphs with various singularities.
Graph Laplacians adapt to different manifold dimensions, while Dirichlet energies converge to a tensorized Dirichlet energy.
problem Understanding machine learning methods for data with varying intrinsic dimensions.
method Γ-convergence of graph Dirichlet energies and spectral convergence of graph Laplacians on intersecting manifolds of varying dimensions.
result Normalized Dirichlet energy converges to a tensorized Dirichlet energy that adapts to all dimensions simultaneously.
Energy savings for DNN inference on resource-constrained devices.
problem Energy efficiency in deep learning inference for constrained devices.
method Efficiently searches through equivalent DNN graphs to find the one with the least execution cost.
result Achieves 24% energy savings with minimal performance impact.
Optimal Euclidean structure minimizes energy in weighted toroidal graphs.
problem Finding the optimal Euclidean structure for weighted toroidal graphs.
method Minimizing Dirichlet energy over all possible Euclidean structures and realizations within a fixed homotopy class.
result The optimal Euclidean structure induces a weighted Delaunay decomposition.
Graph Energy Matching improves generation quality for molecular graphs.
problem Discrete energy-based models struggle with efficient and high-quality sampling for graph generation.
method Inspired by transport-map optimization, Graph Energy Matching learns a permutation-invariant potential energy to guide sampling.
result GEM matches or surpasses discrete diffusion baselines on molecular graph benchmarks.
Graph neural networks are explained through energy gradient flow and framelet decomposition.
problem Understanding and improving graph neural networks.
method Viewing framelet-based models as gradient flows of energy, proposing a generalized energy via framelet decomposition.
result The proposed model leads to more flexible dynamics, enhancing graph neural networks.
In the present paper we introduce Mobius energy for the embedded graphs and formulate its main properties. This energy is invariant under the action of the group generated by all inversions in three-dimensional real space. We study critical configurations for the angles at vertices of degree less than five, and discuss…
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…
Energy Transformer integrates attention, energy models, and associative memory.
problem Lack of clear theoretical foundations in attention mechanisms and straightforward design of energy functions in energy-based models.
method Proposes Energy Transformer, a sequence of attention layers with a specifically engineered energy function.
result Obtained strong results on graph anomaly detection and classification tasks.
A new framework SIMBA improves graph classification performance on size-imbalanced datasets.
problem Size imbalance in graph classification leads to poor model performance.
method Energy-guided structural smoothing between head and tail graphs, re-weighting based on energy propagation.
result SIMBA outperforms existing methods in size-imbalanced graph classification tasks.
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.
STOIC improves energy demand forecasting with reliable uncertainty estimates.
problem Accurate point forecasts alone are insufficient for energy systems; reliable uncertainty estimates are needed.
method Integrates graph-based forecasting with tabular foundation models for zero-shot calibration of spatial-temporal residuals.
result STOIC delivers more reliable and robust uncertainty estimates for complex graph-structured energy time series.
Paper introduces a neural framework for accurate energy forecasting.
problem Challenges of forecasting energy demand and supply due to variability of renewable sources and dynamic consumption patterns.
method Integrates Neural ODEs, graph attention, multi-resolution wavelet transformations, and adaptive learning of frequencies.
result Consistently outperforms state-of-the-art baselines in various forecasting metrics across diverse datasets.
GEBM improves uncertainty quantification in graph neural networks.
problem Challenges in quantifying epistemic uncertainty in graph neural networks.
method Energy-based model (EBM) that aggregates uncertainty at different structural levels.
result Significantly improves predictive robustness and achieves best separation of in-distribution and out-of-distribution data.
Graph convolutions can enhance high frequencies, leading to over-sharpening.
problem Graph convolutions suffer from over-smoothing and poor performance on heterophilic graphs.
method Rigorously prove that linear graph convolutions minimize a generalized Dirichlet energy, showing that weight matrices induce edge-wise attraction or repulsion.
result Graph convolutions can enhance high frequencies, leading to over-sharpening instead of over-smoothing.
The study shows that certain graphs are regular at boundary points.
problem Boundary regularity of anisotropic minimal Lipschitz graphs.
method Proves regularity for graphs with bounded anisotropic mean curvature and atomic energy condition.
result Regularity at boundary points with density bounded above by 1/2 + σ.
New method clusters directed and undirected graphs without losing directional information.
problem Clustering directed graphs due to asymmetry in edge connectivity.
method Generalized Dirichlet Energy (GDE) and generalized spectral clustering (GSC).
result GSC outperforms existing methods in clustering accuracy and robustness.
For a bounded smooth domain in the plane and smooth boundary data we consider the minimisation of the Willmore functional for graphs subject to Dirichlet or Navier boundary conditions. For H2-regular graphs we show that bounds for the Willmore energy imply area and diameter bounds. We then consider the L1-lower s…
Neural ODEs control graph dynamics with low energy feedback.
problem Controlling complex dynamical systems on graphs.
method Neural Ordinary Differential Equation Control (NODEC) framework.
result NODEC learns low-energy control signals for graph dynamical systems.
Recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab-initio calculations) and at speeds suitable for molecular dynam- ics simulation. Best performance is achieved when the known physical constraints are encoded in the mac…
Study p-parabolicity on graphs using various energy functionals.
problem Characterize p-parabolicity on infinite locally summable graphs. method Analyze p-energy functionals and use approximation by finite graphs. result Prove various characterizations of p-parabolicity. Graph energy helps detect communities in networks better than traditional methods.
problem Detecting communities in sparse networks where traditional methods fail.
method Using graph energy based on the full spectrum of adjacency matrices.
result The difference in graph energy between a planted partition model and an Erdős--Rényi network has a distinct transition at the detectability threshold.
Graph neural networks over-smooth when layers increase, reducing discriminative power.
problem Over-smoothing in graph neural networks reduces model performance as the number of layers increases.
method Analyzed over-smoothing in general graph neural network architecture using Dirichlet energy.
result The Dirichlet energy of embeddings converges to zero, leading to loss of discriminative power.
Gaining more comprehensive knowledge about drug-drug interactions (DDIs) is one of the most important tasks in drug development and medical practice. Recently graph neural networks have achieved great success in this task by modeling drugs as nodes and drug-drug interactions as links and casting DDI predictions as link…
Study connects curvature to graph theory and reveals differences.
problem Exploring differences between Quadratic Orthogonal Bisectional Curvature and Real Bisectional Curvature.
method Real (1,1)--forms and Weitzenböck curvature operator used to represent graph Dirichlet energy.
result Curvature differences illuminated between Quadratic Orthogonal Bisectional Curvature and Real Bisectional Curvature.
Graph signal processing detects hallucinations in large language models.
problem Detecting factual reasoning from hallucinations in large language models.
method Modeling transformer layers as dynamic graphs, using spectral analysis to define diagnostics.
result Spectral signatures can distinguish different types of hallucinations and achieve high accuracy.
Novel method combines physics priors for energy-conserving dynamics.
problem Learning long-term dynamics of complex physical systems from noisy data.
method Variational Integrator Graph Networks integrating energy constraint, high-order symplectic integrators, and graph neural networks.
result Improves predictive performance across single and many-body problems.
The paper studies matrix normalization and graph balancing using a new functional and gradient descent.
problem Matrix normalization and graph balancing.
method A new functional called the non-normal energy, and gradient descent.
result Gradient descent of the non-normal energy converges to balanced graphs and preserves spectra and realness of weights.
There have lately been several suggestions for parametrized distances on a graph that generalize the shortest path distance and the commute time or resistance distance. The need for developing such distances has risen from the observation that the above-mentioned common distances in many situations fail to take into ac…
Study compares atom representations in graph neural networks for molecular properties.
problem Incorrect attribution of results in molecular property prediction due to varying atom features.
method Evaluated multiple atom representations on free energy, solubility, and metabolic stability predictions.
result Different atom representations can lead to varying predictive performance in graph neural networks.
Energy trees handle complex data structures with multiple variable types.
problem Handling intricate data structures with various types of covariates.
method Energy trees, a regression and classification model, use energy statistics to accommodate structured covariates of different types.
result Energy trees maintain statistical foundations, interpretability, and robustness to overfitting.
Signals are submanifolds; bounds on energy calculated.
problem Abstract theory of signal propagation.
method Energy inequalities and bounds calculated for specific signal spaces.
result Upper and lower bounds on energy derived for various signal configurations.
EBMs trained on discrete data using heat equations on graph structures.
problem Training EBMs on discrete or mixed data.
method Heat equations on graph structures for data perturbation.
result Efficacy demonstrated in various applications.
Researchers solve a complex equation to embed graphs with negative curvature.
problem Embedding graphs in Rn+1 with negative Gauss curvature. method Solving a fully nonlinear Monge-Ampère equation using energy estimates and Nash-Moser iteration.
result Local solvability of the fully nonlinear equation for negative curvature.
Graphs with bounded anisotropic mean curvature are regular almost everywhere.
problem Understanding the regularity of graphs with anisotropic mean curvature.
method Proving regularity for m-dimensional Lipschitz graphs with anisotropic mean curvature bounded in Lp. result Graphs with bounded anisotropic mean curvature are regular almost everywhere.
New method estimates Nishimori temperature for node classification in weighted graphs.
problem Estimating Nishimori temperature for Bayesian inference.
method Spectral method using eigenvalues of Bethe Hessian matrix.
result Spectral method outperforms existing approaches in node classification.
New method models aptamer libraries as Boltzmann-weighted graph ensembles for better affinity predictions.
problem Anomalous candidates in SELEX datasets obscure true aptamer-ligand affinity.
method Boltzmann graph ensemble embeddings for thermodynamically parameterized exponential-family random graphs.
result Proposed embedding enables robust community detection and subgraph-level explanations for aptamer ligand affinity.
Derives continuum model from discrete ε-graphs with connectivity functional.
problem Modeling diffusion in networks with varying connectivity.
method Energy-based continuum limit derivation, neural-network reconstruction of connectivity.
result Error between discrete and continuum energies is O(ε), valid even with fluctuations. The MBO scheme for data clustering is analyzed in the large data limit, proving convergence to optimal partition problems.
problem Analyzing the MBO scheme for data clustering in the large data limit.
method Implicit gradient descent on the thresholding energy of a similarity graph.
result The MBO scheme outcomes converge to minimizers of a weighted optimal partition problem.
New metrics reveal oversmoothing in GNNs more accurately than traditional methods.
problem Oversmoothing in graph neural networks reduces model performance.
method Rank-based metrics to measure oversmoothing in GNNs.
result Rank-based metrics consistently capture oversmoothing, while energy-based metrics often fail.
Paper shows training can improve GCN performance without changing architecture.
problem Training difficulty of GCNs limits their performance.
method Identified and mitigated energy loss during training.
result Significant decrease in training difficulties and notable performance boost.
The maximum a posteriori (MAP) configuration of binary variable models with submodular graph-structured energy functions can be found efficiently and exactly by graph cuts. Max-product belief propagation (MP) has been shown to be suboptimal on this class of energy functions by a canonical counterexample where MP conver…
LNNs learn Lagrangians without canonical coordinates, conserving energy and relativity.
problem Neural networks struggle to learn physical symmetries like conservation laws.
method Lagrangian Neural Networks (LNNs) parameterize arbitrary Lagrangians using neural networks.
result LNNs conserve energy and relativity in complex systems.
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.
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.
Bio-oil molecule assessment is essential for the sustainable development of chemicals and transportation fuels. These oxygenated molecules have adequate carbon, hydrogen, and oxygen atoms that can be used for developing new value-added molecules (chemicals or transportation fuels). One motivation for our study stems fr…
We present a joint message passing approach that combines belief propagation and the mean field approximation. Our analysis is based on the region-based free energy approximation method proposed by Yedidia et al. We show that the message passing fixed-point equations obtained with this combination correspond to station…
The paper analyzes Laplace learning for Gaussian measure data in infinite dimensions, proving convergence.
problem Analyzing Laplace learning for infinite-dimensional Gaussian measure data.
method Minimizes Dirichlet energy on a graph constructed from the full dataset.
result Proves pointwise convergence of the graph Dirichlet energy for Gaussian measure data.