Visualizing nanoscale heterogeneity in perylene thin films via tip-enhanced photoluminescence with unsupervised machine learning
Excitons in organic thin films vary on the nanometer length scale.
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Excitons in organic thin films vary on the nanometer length scale.
In this paper, we present a new machine learning (ML) workflow with unsupervised learning techniques to identify domains within atomic force microscopy (AFM) images obtained from polymer films.
This work explores the Urban Heat Island (UHI) effects in Maricopa County, Arizona, employing a simulation-based approach that combines large-scale building energy modeling with advanced spatial analysis. Utilizing the Automatic Building Energy Modeling (AutoBEM) software suite, we simulated the energy consumption for approximately 1.35 million buildings based on the Model America version 1.0 (MAv1) dataset. Our methodology incorporated spatial analysis at multiple scales, including individual buildings, clusters of zones determined by K-means clustering, and geographical level evaluation based on Zip codes. The results revealed significant variations in energy consumption and heat emissions across different building types and urban zones. High-emission hotspots identified through clustering pointed to areas most contributing to the UHI effects. Zip code-based area analysis further contextualized these findings, offering an urban context-based perspective on emission distribution and informing potential urban energy policies for mitigating UHI effects.
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This is the poster our intern will present at AIM 2025 Conferences highlighting the data-driven representation of AFM data we established.
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Learning scheme for solving unsupervised learning problems with correct estimate convergence and for state estimates of Gauss-Markov sequences with additive and multiplicative observed noise
In this chapter, we review some of the current techniques for learning and tuning fuzzy rules. For clarity, we refer to the process of generating rules from data as the learning problem and distinguish it from tuning an already existing set of fuzzy rules. For learning, we touch on unsupervised learning techniques such as fuzzy c-means, fuzzy decision tree systems, fuzzy genetic algorithms, and linear fuzzy rules generation methods. For tuning, we discuss Jang's ANFIS architecture, Berenji-Khedkar's GARIC architecture and its extensions in GARIC-Q. We show that the hybrid techniques capable of learning and tuning fuzzy rules, such as CART-ANFIS, RNN-FLCS, and GARIC-RB, are desirable in development of a number of future intelligent systems.
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Unsupervised learning models have been proposed based on experience (Ahumada and Mulligan, 1990;Wachtler, Doi, Lee and Sejnowski, 2007) that allow the cortex to develop units with LM specific color opponent receptive fields like the blob cells reported by Hubel and Wiesel on the basis of visual experience. These models used ganglion cells with LM indiscriminate wiring as inputs to the learning mechanism, which was presumed to occur at the cortical level.
This introduction to artificial neural networks summarizes some basic concepts of computational neuroscience and the resulting models of artificial neurons. The terminology of biological and artificial neurons, biological and machine learning and neural processing is introduced. The concepts of supervised and unsupervised learning are explained with examples from the power system area. Finally, a taxonomy of different types of neurons and different classes of artificial neural networks is presented.
Here, we build upon recent work on the use of machine-learning models to estimate Hamiltonian parameters using continuous weak measurement of qubits as input. We consider two settings for the training of our model: (1) supervised learning, where the weak-measurement training record can be labeled with known Hamiltonian parameters, and (2) unsupervised learning, where no labels are available. The first has the advantage of not requiring an explicit representation of the quantum state, thus potentially scaling very favorably to a larger number of qubits. The second requires the implementation of a physical model to map the Hamiltonian parameters to a measurement record, which we implement using an integrator of the physical model with a recurrent neural network to provide a model-free correction at every time step to account for small effects not captured by the physical model. We test our construction on a system of two qubits and demonstrate accurate prediction of multiple physical parameters in both the supervised context and the unsupervised context. We demonstrate that the model benefits from larger training sets, establishing that it is “learning,” and we show robustness regarding errors in the assumed physical model by achieving accurate parameter estimation in the presence of unanticipated single-particle relaxation.
It is known that an effective control system is the key condition for successful implementation of high-performance magnetic servo systems. Major issues to design such control systems are nonlinearity; unmodeled dynamics, such as secondary effects for copper resistance, stray fields, and saturation; and that disturbance rejection for the load effect reacts directly on the servo system without transmission elements. One typical approach to design control systems under these conditions is a special type of nonlinear feedback called gain scheduling. It accommodates linear regulators whose parameters are changed as a function of operating conditions in a preprogrammed way. In this paper, an on-line learning fuzzy control strategy is proposed. To inherit the wealth of linear control design, the relations between linear feedback and fuzzy logic controllers have been established. The exercise of engineering axioms of linear control design is thus transformed into tuning of appropriate fuzzy parameters. Furthermore, fuzzy logic control brings the domain of candidate control laws from linear into nonlinear, and brings new prospects into design of the local controllers. On the other hand, a self-learning scheme is utilized to automatically tune the fuzzy rule base. It is based on network learning infrastructure; statistical approximation to assign credit; animal learning method to update the reinforcement map with a fast learning rate; and temporal difference predictive scheme to optimize the control laws. Different from supervised and statistical unsupervised learning schemes, the proposed method learns on-line from past experience and information from the process and forms a rule base of an FLC system from randomly assigned initial control rules.
This project utilizes copulas for damage detection in a Structural Health Monitoring (SHM) application. A copula-based system was chosen for the benefit of multivariate joint distribution with a goal to detect damage based on how the system as a whole reacts rather than one or two sensors by themselves. Copulas are commonly used in the field of finance for risk modeling based on two or more random inputs. A few applications in the field of SHM and Non-Destructive Evaluation (NDE) have been researched mostly on risk or reliability of the structure. The goal of this project is to determine if a copula-based approach can be used for damage detection. An unsupervised learning method was desired to reduce the dimensionality, minimal training, and be a faster evaluation method than other unsupervised methods. If a copula method can be used to detect damage what additional information on the damage can be interpreted. The remainder of this report will go over the background needed, SHM methodology, SHM applications, conclusions, and future developments.
Sodium-ion batteries are a cost-effective, sustainable alternative to lithium-ion systems for large-scale energy storage. However, optimizing sodium storage in carbon-based anodes with microstructural complexity and atomic disorder remains a major challenge. The intrinsic inhomogeneity of these materials produces diverse local environments, making it difficult for conventional methods to predict and control ion dynamics. Hard carbon (HC) anodes, composed of ranges of ordered-to-disordered graphitic and amorphous nanodomains, offer tunable ion storage and rate capacity, yet rationale design remains a challenge due to poorly understood correlation between local atomic feature and ion transport mechanism. Here, to address this challenge, we introduce a data-driven framework that integrates validated machine-learned interatomic potentials, large-scale molecular dynamics simulations, and machine learning to elucidate sodium transport mechanisms as a function of carbon and sodium loading densities. By computing per-ion structural descriptors and applying unsupervised learning, we identify distinct diffusion modes governed by microscopic features. Supervised analysis and correlation mapping then establish quantitative links between these transport regimes and processing variables such as bulk carbon density and sodium content. This physics-informed approach establishes quantitative structure–transport relationships and offers actionable design principles for engineering high-performance HC anodes.
Abstract An accurate description of information is relevant for a range of problems in atomistic machine learning (ML), such as crafting training sets, performing uncertainty quantification (UQ), or extracting physical insights from large datasets. However, atomistic ML often relies on unsupervised learning or model predictions to analyze information contents from simulation or training data. Here, we introduce a theoretical framework that provides a rigorous, model-free tool to quantify information contents in atomistic simulations. We demonstrate that the information entropy of a distribution of atom-centered environments explains known heuristics in ML potential developments, from training set sizes to dataset optimality. Using this tool, we propose a model-free UQ method that reliably predicts epistemic uncertainty and detects out-of-distribution samples, including rare events in systems such as nucleation. This method provides a general tool for data-driven atomistic modeling and combines efforts in ML, simulations, and physical explainability.