Energy
Fast Convergence of Belief Propagation to Global Optima: Beyond Correlation Decay
Belief propagation is a fundamental message-passing algorithm for probabilistic reasoning and inference in graphical models. While it is known to be exact on trees, in most applications belief propagation is run on graphs with cycles. Understanding the behavior of "loopy" belief propagation has been a major challenge for researchers in machine learning and other fields, and positive convergence results for BP are known under strong assumptions which imply the underlying graphical model exhibits decay of correlations. We show, building on previous work of Dembo and Montanari, that under a natural initialization BP converges quickly to the global optimum of the Bethe free energy for Ising models on arbitrary graphs, as long as the Ising model is ferromagnetic (i.e.
Online Learning with Probing for Sequential User-Centric Selection
Xu, Tianyi, Chen, Yiting, Li, Henger, Bian, Zheyong, Dall'Anese, Emiliano, Zheng, Zizhan
We formalize sequential decision-making with information acquisition as the probing-augmented user-centric selection (PUCS) framework, where a learner first probes a subset of arms to obtain side information on resources and rewards, and then assigns $K$ plays to $M$ arms. PUCS covers applications such as ridesharing, wireless scheduling, and content recommendation, in which both resources and payoffs are initially unknown and probing is costly. For the offline setting with known distributions, we present a greedy probing algorithm with a constant-factor approximation guarantee $ฮถ= (e-1)/(2e-1)$. For the online setting with unknown distributions, we introduce OLPA, a stochastic combinatorial bandit algorithm that achieves a regret bound $\mathcal{O}(\sqrt{T} + \ln^{2} T)$. We also prove a lower bound $ฮฉ(\sqrt{T})$, showing that the upper bound is tight up to logarithmic factors. Experiments on real-world data demonstrate the effectiveness of our solutions.
Enhancing Corrosion Resistance of Aluminum Alloys Through AI and ML Modeling
Kaboudvand, Farnaz, Khalid, Maham, Assaf, Nydia, Sahgal, Vardaan, Ruffley, Jon P., McDermott, Brian J.
Corrosion poses a significant challenge to the performance of aluminum alloys, particularly in marine environments. This study investigates the application of machine learning (ML) algorithms to predict and optimize corrosion resistance, utilizing a comprehensive open-source dataset compiled from various sources. The dataset encompasses corrosion rate data and environmental conditions, preprocessed to standardize units and formats. We explored two different approaches, a direct approach, where the material's composition and environmental conditions were used as inputs to predict corrosion rates; and an inverse approach, where corrosion rate served as the input to identify suitable material compositions as output. We employed and compared three distinct ML methodologies for forward predictions: Random Forest regression, optimized via grid search; a feed-forward neural network, utilizing ReLU activation and Adam optimization; and Gaussian Process Regression (GPR), implemented with GPyTorch and employing various kernel functions. The Random Forest and neural network models provided predictive capabilities based on elemental compositions and environmental conditions. Notably, Gaussian Process Regression demonstrated superior performance, particularly with hybrid kernel functions. Log-transformed GPR further refined predictions. This study highlights the efficacy of ML, particularly GPR, in predicting corrosion rates and material properties.
Data-driven particle dynamics: Structure-preserving coarse-graining for emergent behavior in non-equilibrium systems
Hernandez, Quercus, Win, Max, O'Connor, Thomas C., Arratia, Paulo E., Trask, Nathaniel
Multiscale systems are ubiquitous in science and technology, but are notoriously challenging to simulate as short spatiotemporal scales must be appropriately linked to emergent bulk physics. When expensive high-dimensional dynamical systems are coarse-grained into low-dimensional models, the entropic loss of information leads to emergent physics which are dissipative, history-dependent, and stochastic. To machine learn coarse-grained dynamics from time-series observations of particle trajectories, we propose a framework using the metriplectic bracket formalism that preserves these properties by construction; most notably, the framework guarantees discrete notions of the first and second laws of thermodynamics, conservation of momentum, and a discrete fluctuation-dissipation balance crucial for capturing non-equilibrium statistics. We introduce the mathematical framework abstractly before specializing to a particle discretization. As labels are generally unavailable for entropic state variables, we introduce a novel self-supervised learning strategy to identify emergent structural variables. We validate the method on benchmark systems and demonstrate its utility on two challenging examples: (1) coarse-graining star polymers at challenging levels of coarse-graining while preserving non-equilibrium statistics, and (2) learning models from high-speed video of colloidal suspensions that capture coupling between local rearrangement events and emergent stochastic dynamics. We provide open-source implementations in both PyTorch and LAMMPS, enabling large-scale inference and extensibility to diverse particle-based systems.
A self-supervised learning approach for denoising autoregressive models with additive noise: finite and infinite variance cases
Banerjee, Sayantan, Wylomanska, Agnieszka, S, Sundar
The autoregressive time series model is a popular second-order stationary process, modeling a wide range of real phenomena. However, in applications, autoregressive signals are often corrupted by additive noise. Further, the autoregressive process and the corruptive noise may be highly impulsive, stemming from an infinite-variance distribution. The model estimation techniques that account for additional noise tend to show reduced efficacy when there is very strong noise present in the data, especially when the noise is heavy-tailed. Moreover, identification of a model corrupted with heavy-tailed, particularly infinite-variance noise, can be a very challenging task. In this paper, we propose a novel self-supervised learning method to denoise the additive noise-corrupted autoregressive model. Our approach is motivated by recent work in computer vision and does not require full knowledge of the noise distribution. We use the proposed method to recover exemplary finite- and infinite-variance autoregressive signals, namely, Gaussian- and alpha-stable distributed signals, respectively, from their noise-corrupted versions. The simulation study conducted on both synthetic and semi-synthetic data demonstrates the efficiency of our method compared to several baseline methods, particularly when the corruption is significant and impulsive in nature. Finally, we apply the presented methodology to forecast the pure autoregressive signal from the noise-corrupted data.