Supervised Learning in Physical Networks: From Machine Learning to Learning Machines
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36 MATERIALS SCIENCE↗
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Statistical Complexity of Quantum Learning
Abstract Learning problems involve settings in which an algorithm has to make decisions based on data, and possibly side information such as expert knowledge. This study has two main goals. First, it reviews and generalizes different results on the data and model complexity of quantum learning, where the data and/or the algorithm can be quantum, focusing on information‐theoretic techniques. Second, it introduces the notion of copy complexity, which quantifies the number of copies of a quantum state required to achieve a target accuracy level. Copy complexity arises from the destructive nature of quantum measurements, which irreversibly alter the state to be processed, limiting the information that can be extracted about quantum data. As a result, empirical risk minimization is generally inapplicable. The paper presents novel results on the copy complexity for both training and testing. To make the paper self‐contained and approachable by different research communities, an extensive background material is provided on classical results from statistical learning theory, as well as on the distinguishability of quantum states. Throughout, the differences between quantum and classical learning are highlighted by addressing both supervised and unsupervised learning, and extensive pointers are provided to the literature.
97 MATHEMATICS AND COMPUTING↗
Multi-Agent Based Attack-Resilient System Integrity Protection for Smart Grid
Not provided.
Engineering↗
Machine Learning Inference of Random Medium Properties
Earth materials are heterogeneous across a range of spatial scales, but the resolvability of small structures is limited by sparse data coverage, noise, bandlimitedness, and other difficulties. In practice, heterogeneities below a certain size cannot be recovered from seismic data except through statistical medium descriptions, which even then can be difficult to uniquely determine. To improve the characterization of such heterogeneities, we develop a novel supervised machine learning (ML) model that provides insight about the recoverability of statistical medium properties from elastic waveform data and succeeds despite cycle-skipping and other challenges well known from elastic waveform inversion. We demonstrate the approach using random media generated by superimposing self-affine random variations on homogeneous and layered background structures. After training on sparsely-recorded, high-frequency waveforms from hundreds of different random medium realizations, we show the ability of our ML model to recover correlation lengths and other statistical properties of interest to near-surface and crustal seismology, among other fields. For frequency passbands and spatial offsets encountered in seismology, Gaussian correlation lengths and the amplitude of the random variations relative to the background model are recovered even in challenging scenarios involving unknown medium parameters, complex crustal structures, and low signal-to-noise ratio. In comparison, von Kármán correlation lengths, which are related to larger-wavelength variations of the medium than Gaussian correlation lengths, are not as well recovered. These results provide one of the first and most systematic investigations of the recoverability of statistical properties of heterogeneities below the resolution limit of deterministic seismic tomography, and suggest practical ML strategies for high-frequency waveform seismology.
58 GEOSCIENCES↗
Fuzzy self-learning control for magnetic servo system
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.
Tarn, J. H.↗
Learning neural representations for X-ray ptychography reconstruction with unknown probes
X-ray ptychography provides exceptional nanoscale resolution and is widely applied in materials science, biology, and nanotechnology. However, its full potential is constrained by the critical challenge of accurately reconstructing images when the illuminating probe is unknown. Conventional iterative methods and deep learning approaches are often suboptimal, particularly under the low-signal conditions inherent to low-dose and high-speed experiments. These limitations compromise reconstruction fidelity and restrict the broader adoption of the technique. In this work, we introduce the Ptychographic Implicit Neural Representation (PtyINR), a self-supervised framework that simultaneously addresses the object- and probe-recovery problem. By parameterizing both as continuous neural representations, PtyINR performs end-to-end reconstruction directly from raw diffraction patterns without requiring any pre-characterization of the probe. Extensive evaluations demonstrate that PtyINR achieves superior reconstruction quality on both simulated and experimental data, with remarkable robustness under challenging low-signal conditions. Furthermore, PtyINR offers a generalizable, physics-informed framework for addressing probe-dependent inverse problems, making it applicable to a wide range of computational microscopy problems.
36 MATERIALS SCIENCE↗
Classification of asteroid spectra using a neural network
The 52-color asteroid survey (Bell et al., 1988) together with the 8-color asteroid survey (Zellner et al., 1985) provide a data set of asteroid spectra spanning 0.3-2.5 micrometers. An artificial neural network clusters these asteroid spectra based on their similarity to each other. We have also trained the neural network with a categorization learning output layer in a supervised mode to associate the established clusters with taxonomic classes. Results of our classification agree with Tholen's classification based on the 8-color data alone. When extending the spectral range using the 52-color survey data, we find that some modification of the Tholen classes is indicated to produce a cleaner, self-consistent set of taxonomic classes. After supervised training using our modified classes, the network correctly classifies both the training examples, and additional spectra into the correct class with an average of 90% accuracy. Our classification supports the separation of the K class from the S class, as suggested by Bell et al. (1987), based on the near-infrared spectrum. We define two end-member subclasses which seem to have compositional significance within the S class: the So class, which is olivine-rich and red, and the Sp class, which is pyroxene-rich and less red. The remaining S-class asteroids have intermediate compositions of both olivine and pyroxene and moderately red continua. The network clustering suggests some additional structure within the E-, M-, and P-class asteroids, even in the absence of albedo information, which is the only discriminant between these in the Tholen classification. New relationships are seen between the C class and related G, B, and F classes. However, in both cases, the number of spectra is too small to interpret or determine the significance of these separations.
Howell, E. S.↗
Learning model combining convolutional deep neural network with a self-attention mechanism for AC optimal power flow
Alternating current optimal power flow (OPF) analysis is critical for efficient and reliable operation of power systems. For large systems or repetitive computations, the traditional methods such as the direct and gradient methods, or non-traditional methods, such as the genetic algorithm and simulating annealing, are time-consuming and unsuitable for real-time computing. The work in this paper proposes a novel framework to obtain the optimal solution of power flow in real-time using a combination of convolutional neural networks and a self-attention mechanism. All parameters of the power networks are rearranged in an image-like shape of a multi-channel image where each channel is a two-dimensional matrix. The proposed approach is adaptive with every input size of power systems as well as frequent variations of network topologies without intervention to the framework core. The encompassment of all power system contexts in which all parameters of internal elements, generation costs, and topology information are included, contributes to the higher accuracy of inference compared to other current machine-learning-based OPF-solving methods. Besides, the proposed framework established on ubiquitous platforms is effortlessly integrated into current infrastructures of power systems, and the great efficiency along with the computation speed may serve as a critical point for practical implications, such as enabling faster decision-making during real-time operations, predicting system contingencies, and remedial actions based on an offline pre-trained model. Furthermore, this supervised learning process is applied to the dataset of four case studies of meshed power systems: the IEEE 5-bus system (IEEE-5), the IEEE 30-bus system (IEEE-30), the IEEE 39-bus system (IEEE-39), and the IEEE 57-bus system (IEEE-57) to prove the efficacy of the proposed method.
42 ENGINEERING↗
Working and Learning with Knowledge in the Lobes of a Humanoid's Mind
Humanoid class robots must have sufficient dexterity to assist people and work in an environment designed for human comfort and productivity. This dexterity, in particular the ability to use tools, requires a cognitive understanding of self and the world that exceeds contemporary robotics. Our hypothesis is that the sense-think-act paradigm that has proven so successful for autonomous robots is missing one or more key elements that will be needed for humanoids to meet their full potential as autonomous human assistants. This key ingredient is knowledge. The presented work includes experiments conducted on the Robonaut system, a NASA and the Defense Advanced research Projects Agency (DARPA) joint project, and includes collaborative efforts with a DARPA Mobile Autonomous Robot Software technical program team of researchers at NASA, MIT, USC, NRL, UMass and Vanderbilt. The paper reports on results in the areas of human-robot interaction (human tracking, gesture recognition, natural language, supervised control), perception (stereo vision, object identification, object pose estimation), autonomous grasping (tactile sensing, grasp reflex, grasp stability) and learning (human instruction, task level sequences, and sensorimotor association).
Ambrose, Robert↗
Machine learning pipeline for denoising low signal-to-noise ratio and out-of-distribution transmission electron microscopy datasets
High-resolution transmission electron microscopy (HRTEM) is crucial for observing material’s structural and morphological evolution at Angstrom scales, but the electron beam can alter these processes. Devices such as CMOS-based direct-electron detectors operating in electron-counting mode can be utilized to substantially reduce the electron dosage. However, the resulting images often lead to a low signal-to-noise ratio, which requires frame integration that sacrifices temporal resolution. Several machine learning (ML) models have been recently developed to successfully denoise HRTEM images. Yet, these models are often computationally expensive, and their inference speeds on GPUs are outpaced by the imaging speed of advanced detectors, precluding in situ analysis. Furthermore, the performance of these denoising models on datasets with imaging conditions that deviate from the training datasets has not been evaluated. To mitigate these gaps, we propose a new self-supervised ML denoising pipeline specifically designed for time-series HRTEM images. This pipeline integrates a blind-spot convolution neural network with pre-processing and post-processing steps, including drift correction and low-pass filtering. Results demonstrate that our model outperforms various other ML and non-ML denoising methods in noise reduction and contrast enhancement, leading to improved visual clarity of atomic features. Additionally, the model is drastically faster than U-Net-based ML models and demonstrates excellent out-of-distribution generalization. The model’s computational inference speed is in the order of milliseconds per image, rendering it suitable for application in in-situ HRTEM experiments.
36 MATERIALS SCIENCE↗
Transferring a Molecular Foundation Model for Polymer Property Predictions
Transformer-based large language models have remarkable potential to accelerate design optimization for applications such as drug development and material discovery. Self-supervised pretraining of transformer models requires large-scale data sets, which are often sparsely populated in topical areas such as polymer science. Further, state-of-the-art approaches for polymers conduct data augmentation to generate additional samples but unavoidably incur extra computational costs. In contrast, large-scale open-source data sets are available for small molecules and provide a potential solution to data scarcity through transfer learning. In this work, we show that using transformers pretrained on small molecules and fine-tuned on polymer properties achieves comparable accuracy to those trained on augmented polymer data sets for a series of benchmark prediction tasks.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Scalable 3D reconstruction for X-ray single particle imaging with online machine learning
X-ray free-electron lasers offer unique capabilities for measuring the structure and dynamics of biomolecules, helping us understand the basic building blocks of life. Notably, high-repetition-rate free-electron lasers enable single particle imaging, where individual, weakly scattering biomolecules are imaged under near-physiological conditions with the opportunity to access fleeting states that cannot be captured in cryogenic or crystallized conditions. Existing X-ray single particle reconstruction algorithms, which estimate the particle orientation for each image independently, are slow and memory-intensive when handling the massive datasets generated by emerging free-electron lasers. Here, we introduce X-RAI (X-Ray single particle imaging with Amortized Inference), an online reconstruction framework that estimates the structure of 3D macromolecules from large X-ray single particle datasets. X-RAI consists of a convolutional encoder, which amortizes pose estimation over large datasets, as well as a physics-based decoder, which employs an implicit neural representation to enable high-quality 3D reconstruction in an end-to-end, self-supervised manner. We demonstrate that X-RAI achieves state-of-the-art performance for small-scale datasets in simulation and challenging experimental settings and demonstrate its unprecedented ability to process large datasets containing millions of diffraction images in an online fashion. These abilities signify a paradigm shift in X-ray single particle imaging towards real-time reconstruction.
Computer science↗
femto-PIXAR: a self-supervised neural network method for reconstructing femtosecond X-ray free electron laser pulses
X-ray Free Electron Lasers (X-FELs) operate in a wide range of lasing configurations for a broad variety of scientific applications at ultrafast time-scales such as structural biology, materials science, and atomic and molecular physics. Shot-by-shot characterization of the X-FEL pulses is crucial for analysis of many experiments as well as tuning the X-FEL performance. However, for the weak pulses found in advanced configurations, e.g. those needed for coherent, two-pulse studies of quantum materials, there is no current method for reliably resolving pulse profiles. Here we show that a physics-based U-net model can reconstruct the individual pulse power profiles for sub-picosecond pulse separation without the need for simulations. Using experimental data from weak X-FEL pulse pairs, we demonstrate we can learn the pulse characteristics on a shot-by-shot basis when conventional methods fail.
43 PARTICLE ACCELERATORS↗
Highly sensitive 2D X-ray absorption spectroscopy via physics informed machine learning
Abstract Improving the spatial and spectral resolution of 2D X-ray near-edge absorption structure (XANES) has been a decade-long pursuit to probe local chemical reactions at the nanoscale. However, the poor signal-to-noise ratio in the measured images poses significant challenges in quantitative analysis, especially when the element of interest is at a low concentration. In this work, we developed a post-imaging processing method using deep neural network to reliably improve the signal-to-noise ratio in the XANES images. The proposed neural network model could be trained to adapt to new datasets by incorporating the physical features inherent in the latent space of the XANES images and self-supervised to detect new features in the images and achieve self-consistency. Two examples are presented in this work to illustrate the model’s robustness in determining the valence states of Ni and Co in the LiNi x Mn y Co 1-x-y O 2 systems with high confidence.
36 MATERIALS SCIENCE↗
Sampling-based Sublinear Low-rank Matrix Arithmetic Framework for Dequantizing Quantum Machine Learning
We present an algorithmic framework for quantum-inspired classical algorithms on close-to-low-rank matrices, generalizing the series of results started by Tang’s breakthrough quantum-inspired algorithm for recommendation systems [STOC’19]. Motivated by quantum linear algebra algorithms and the quantum singular value transformation (SVT) framework of Gilyén et al. [STOC’19], we develop classical algorithms for SVT that run in time independent of input dimension, under suitable quantum-inspired sampling assumptions. Our results give compelling evidence that in the corresponding QRAM data structure input model, quantum SVT does not yield exponential quantum speedups. Since the quantum SVT framework generalizes essentially all known techniques for quantum linear algebra, our results, combined with sampling lemmas from previous work, suffice to generalize all prior results about dequantizing quantum machine learning algorithms. In particular, our classical SVT framework recovers and often improves the dequantization results on recommendation systems, principal component analysis, supervised clustering, support vector machines, low-rank regression, and semidefinite program solving. We also give additional dequantization results on low-rank Hamiltonian simulation and discriminant analysis. Our improvements come from identifying the key feature of the quantum-inspired input model that is at the core of all prior quantum-inspired results: ℓ 2 -norm sampling can approximate matrix products in time independent of their dimension. We reduce all our main results to this fact, making our exposition concise, self-contained, and intuitive.
Computer Science↗
Self-supervised physics-informed generative networks for phase retrieval from a single X-ray hologram
X-ray phase contrast imaging significantly improves the visualization of structures with weak or uniform absorption, broadening its applications across a wide range of scientific disciplines. Propagation-based phase contrast is particularly suitable for time- or dose-critical in vivo/in situ/operando (tomography) experiments because it requires only a single intensity measurement. However, the phase information of the wave field is lost during the measurement and must be recovered. Conventional algebraic and iterative methods often rely on specific approximations or boundary conditions that may not be met by many samples or experimental setups. In addition, they require manual tuning of reconstruction parameters by experts, making them less adaptable for complex or variable conditions. Here we present a self-learning approach for solving the inverse problem of phase retrieval in the near-field regime of Fresnel theory using a single intensity measurement (hologram). A physics-informed generative adversarial network is employed to reconstruct both the phase and absorbance of the unpropagated wave field in the sample plane from a single hologram. Unlike most state-of-the-art deep learning approaches for phase retrieval, our approach does not require paired, unpaired, or simulated training data. This significantly broadens the applicability of our approach, as acquiring or generating suitable training data remains a major challenge due to the wide variability in sample types and experimental configurations. The algorithm demonstrates robust and consistent performance across diverse imaging conditions and sample types, delivering quantitative, high-quality reconstructions for both simulated data and experimental datasets acquired at beamline P05 at PETRA III (DESY, Hamburg), operated by Helmholtz-Zentrum Hereon. Furthermore, it enables the simultaneous retrieval of both phase and absorption information.
36 MATERIALS SCIENCE↗
Using Ensemble Decisions and Active Selection to Improve Low-Cost Labeling for Multi-View Data
This paper seeks to improve low-cost labeling in terms of training set reliability (the fraction of correctly labeled training items) and test set performance for multi-view learning methods. Co-training is a popular multiview learning method that combines high-confidence example selection with low-cost (self) labeling. However, co-training with certain base learning algorithms significantly reduces training set reliability, causing an associated drop in prediction accuracy. We propose the use of ensemble labeling to improve reliability in such cases. We also discuss and show promising results on combining low-cost ensemble labeling with active (low-confidence) example selection. We unify these example selection and labeling strategies under collaborative learning, a family of techniques for multi-view learning that we are developing for distributed, sensor-network environments.
machine learning↗
Development and Assessment of a Novel Training Package for Basic Maneuvering Tasks on a Flight Simulator Using Self Instruction Methods and Above Real Time Training (ARTT)
One result of the relatively recent advances in computing technology has been the decreasing cost of computers and increasing computational power. This has allowed high fidelity airplane simulations to be run on personal computers (PC). Thus, simulators are now used routinely by pilots to substitute real flight hours for simulated flight hours for training for an aircraft type rating thereby reducing the cost of flight training. However, FAA regulations require that such substitution training must be supervised by Certified Flight Instructors (CFI). If the CFI presence could be reduced or eliminated for certain tasks this would mean a further cost savings to the pilot. This would require that the flight simulator have a certain level of 'intelligence' in order to provide feedback on pilot performance similar to that of a CFI. The 'intelligent' flight simulator would have at least the capability to use data gathered from the flight to create a measure for the performance of the student pilot. Also, to fully utilize the advances in computational power, the simulator would be capable of interacting with the student pilot using the best possible training interventions. This thesis reports on the two studies conducted at Tuskegee University investigating the effects of interventions on the learning of two flight maneuvers on a flight simulator and the robustness and accuracy of calculated performance indices as compared to CFI evaluations of performance. The intent of these studies is to take a step in the direction of creating an 'intelligent' flight simulator. The first study deals with the comparisons of novice pilot performance trained at different levels of above real-time to execute a level S-turn. The second study examined the effect of out-of-the-window (OTW) visual cues in the form of hoops on the performance of novice pilots learning to fly a landing approach on the flight simulator. The reliability/robustness of the computed performance metrics was assessed by comparing them with the evaluations of the landing approach maneuver by a number of CFIs.
Ali, Syed Firasat↗