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At least 577 records · Page 32

Real-Time event reconstruction for Nuclear Physics Experiments using Artificial Intelligence

Charged track reconstruction is a critical task in nuclear physics experiments, enabling the identification and analysis of particles produced in high-energy collisions. Machine learning (ML) has emerged as a powerful tool for this purpose, addressing the challenges posed by complex detector geometries, high event multiplicities, and noisy data. Traditional methods rely on pattern recognition algorithms like the Kalman filter, but ML techniques, such as neural networks, graph neural networks (GNNs), and recurrent neural networks (RNNs), offer improved accuracy and scalability. By learning from simulated and real detector data, ML models can identify and classify tracks, predict trajectories, and handle ambiguities caused by overlapping or missing hits. Moreover, ML-based approaches can process data in near-real-time, enhancing the efficiency of experiments at large-scale facilities like the Large Hadron Collider (LHC) and Jefferson Lab (JLAB). As detector technologies and computational resources evolve, ML-driven charged track reconstruction continues to push the boundaries of precision and discovery in nuclear physics. In these proceedings, we highlight advancements in charged track identification leveraging Artificial Intelligence within the CLAS12 detector, achieving a notable enhancement in experimental statistics compared to traditional methods. Additionally, we showcase real-time event reconstruction capabilities, including the inference of charged particle properties, such as momentum, direction, and species identification, at speeds matching data acquisition rates. These innovations enable the extraction of physics observables directly from the experiment in real-time.

Gavalian, Gagik (ORCID:0000000267385457)↗

EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized properties

Designing molecules with specific target properties remains a fundamental challenge in computational chemistry. While existing approaches show promise, most rely on simplified representations like SMILES strings or 2D graphs that lack essential three-dimensional geometric information. We present EvoDiffMol, a computational framework that integrates evolutionary algorithms with three-dimensional diffusion models for property-driven molecular generation. The method operates through adaptive evolutionary optimization, where population-based selection guides the generation process toward desired property landscapes. EvoDiffMol supports both unconstrained molecular design and scaffold-constrained generation that preserves fixed substructures while optimizing complementary regions. Comprehensive evaluation demonstrates exceptional performance, achieving the highest drug-likeness score (0.94) among all compared state-of-the-art methods while maintaining excellent validity, uniqueness, and novelty. Beyond single property optimization, the framework demonstrates flexible multi-property optimization capabilities, simultaneously controlling multiple molecular descriptors including synthetic accessibility, lipophilicity, topological polar surface area, and clinically relevant ADMET properties such as cardiotoxicity (hERG) and intestinal permeability (Caco-2). This adaptability spans from simple descriptors to practical pharmaceutical endpoints without requiring complete model retraining. The framework achieves precise control over target property values, generating molecules with properties closely matching specified targets for both single and multiple descriptors. Scaffold-constrained experiments preserve fixed molecular cores while maintaining effective property optimization. The three-dimensional representation offers advantages in maintaining structural validity during iterative optimization, with potential for geometry-aware applications in materials science and drug discovery.

3D molecular generation↗

Diagrammatic analysis of the density operator for nonlinear optical calculations Pulsed and CW responses

In the present paper a diagrammatic analysis of the density operator for the evaluation of nonlinear optical quantities is considered. The present approach extends earlier diagrammatic analysis by treating the time evolution of both the wave function and its complex conjugate. Time-ordered graphs result, each of which corresponds to a term in the density matrix. Examples involving the third-order susceptibility are discussed for both monochromatic and pulse excitation. In particular coherent rotational transient birefringence is discussed. The diagrams provide a convenient means by which nonlinear optical processes can be precisely defined and the susceptibility readily evaluated.

Yee, T. K.↗

A graphical summary of solar wind electron content observations by Pioneer 6, 8, and 9

Between 1965 and 1972, solar wind density measurements were obtained by Mariner 5 and Pioneer 6, 7, 8, and 9 using a radio science method called the 'dual-frequency experiment'. The measurements and data processing are now terminated. A graphical summary is presented of the best of the resulting data, showing the average electron number density of the solar wind across radio paths that vary in length up to 1.8 AU and that lie broadside to the flow direction. These graphs summarize 3.4 years of observations with a time resolution of 1 hour; the measurements provided 1-min resolution and spanned 7 years. Because the orientation and length of the paths change continually and have a major influence on the interpretation of these data, a spacecraft trajectory chart and a plot of the corotation interval are provided.

Croft, T. A.↗

The atmospheres of Venus, earth, and Mars - A critical comparison

The physical conditions and structures, chemical compositions, origins, and evolutions of the earth, Mars, and Venus atmospheres are compared, summarizing the results of recent theoretical and observational investigations. Data are compiled in extensive tables, graphs, and diagrams and characterized in detail. Consideration is given to the roles of chemical cycles and biology; global changes in atmospheric composition; the secondary origin of all three atmospheres; volatile retention by solid grains in the solar nebula; volatile degassing and atmosphere formation; and evolutionary processes, sources, cycles, and sinks.

Prinn, Ronald G.↗

Benders Decomposition Using Graph Modeling and Multi-Parametric Programming

Benders decomposition is a widely used method for solving large and structured optimization problems, but its performance is affected by the repeated solution of subproblems. We propose a flexible and modular algorithmic framework for accelerating Benders decomposition. Specifically, we express the problem structure by using a graph-theoretic modeling abstraction in which nodes represent optimization subproblems and edges represent connectivity between subproblems. A key innovation of our approach is that we embed multiparametric programming (mp) surrogates for node subproblems, which maps the exact analytical map of the subproblem solution space. The use of mp surrogates allows us to replace subproblem solves with fast look-ups and function evaluations for primal and dual variables during the iterative Benders process. We formally show the equivalence between classical Benders cuts and those derived from the mp solution. We implement our framework in the open-source PlasmoBenders.jl software package. To demonstrate the capabilities of the proposed framework, we apply it to a two-stage stochastic programming problem, which aims to make optimal capacity expansion decisions under market uncertainty. We evaluate both single-cut and multicut variants of Benders decomposition and show that the use of mp surrogates achieves substantial speedups in subproblem solve time, while preserving the convergence guarantees of Benders decomposition. We highlight advantages in solution analysis and interpretability that is enabled by mp critical region tracking; specifically, we show that these reveal how decisions evolve geometrically across the Benders search. Our results aim to demonstrate that combining surrogate modeling with graph modeling offers a promising and extensible foundation for structure-exploiting decomposition. In addition, by decomposing the problem into more tractable subproblems, the proposed approach also aims to overcome scalability issues of mp. Finally, the use of mp surrogates provides a unifying and modular optimization framework that enables the representation of heterogeneous node subproblems as modeling objects with a homogeneous structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Adaptive continuity-preserving simplification of street networks

Street network data is widely used to study human-based activities and urban structure. Often, these data are geared towards transportation applications, which require highly granular, directed graphs that capture the complex relationships of potential traffic patterns. While this level of network detail is critical for certain fine-grained mobility models, it represents a hindrance for studies concerned with the morphology of the street network. For the latter case, street network simplification — the process of converting a highly granular input network into its most simple morphological form — is a necessary, but highly tedious preprocessing step, especially when conducted manually. In this manuscript, we develop and present a novel adaptive algorithm for simplifying street networks that is both fully automated and able to mimic results obtained through a manual simplification routine. The algorithm — available in the neatnet Python package — outperforms current state-of-the-art procedures when comparing those methods to manually, human-simplified data, while preserving network continuity.

Python↗

Comparing three generations of D-Wave quantum annealers for minor embedded combinatorial optimization problems

Abstract Quantum annealing (QA) is a novel type of analog computation that aims to use quantum mechanical fluctuations to search for optimal solutions of Ising problems. QA in the transverse Ising model, implemented on D-Wave quantum processing units, are available as cloud computing resources. In this study we report concise benchmarks across three generations of D-Wave quantum annealers, consisting of four different devices, for the NP-hard discrete combinatorial optimization problems unweighted maximum clique and unweighted maximum cut on random graphs. The Ising, or equivalently quadratic unconstrained binary optimization, formulation of these problems do not require auxiliary variables for order reduction, and their overall structure and weights are not highly variable, which makes these problems simple test cases to understand the sampling capability of current D-Wave quantum annealers. All-to-all minor embeddings of size 52, with relatively uniform chain lengths, are used for a direct comparison across the Chimera, Pegasus, and Zephyr device topologies. A grid-search over annealing times and the minor embedding chain strengths is performed in order to determine the level of reasonable performance for each device and problem type. Experiment metrics that are reported are approximation ratios for non-broken chain samples, chain break proportions, and time-to-solution for the maximum clique problem instances. How fairly the quantum annealers sample optimal maximum cliques, for instances which contain multiple maximum cliques, is quantified using entropy of the measured ground state distributions. The newest generation of quantum annealing hardware, which has a Zephyr hardware connectivity, performed the best overall with respect to approximation ratios and chain break frequencies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Astronomers Ponder Lack of Planets in Globular Cluster

This videotape has seven segments, discussing and showing the evidence for the proposition that the galactic clusters do not have many planets. Specifically the segments show: (1) Dr. Ron Gilliland discussing the process of looking for "Hot Jupiters" (i.e., planets about the size of Jupiter, which are hotter than Jupiter) in the globular clusters, (2) a zoom into 47 Tucanae globular cluster, (3) an animation of a planet passing between the host star and the earth with a brightness graph, (4) the same animation as before without the graph, (5) Ron Gilliland of the Space Telescope Science Institute (STScI) discussing possible interpretations of his findings in the 47 Tucanae globular cluster, (6) Ron Gilliland examining the images of 47 Tucanae, and (7) images of 47 Tucanae watching for variations in brightness.

Source record↗

Software for Preprocessing Data From Rocket-Engine Tests

Three computer programs have been written to preprocess digitized outputs of sensors during rocket-engine tests at Stennis Space Center (SSC). The programs apply exclusively to the SSC "E" test-stand complex and utilize the SSC file format. The programs are the following: 1) Engineering Units Generator (EUGEN) converts sensor-output-measurement data to engineering units. The inputs to EUGEN are raw binary test-data files, which include the voltage data, a list identifying the data channels, and time codes. EUGEN effects conversion by use of a file that contains calibration coefficients for each channel; 2) QUICKLOOK enables immediate viewing of a few selected channels of data, in contradistinction to viewing only after post test processing (which can take 30 minutes to several hours depending on the number of channels and other test parameters) of data from all channels. QUICKLOOK converts the selected data into a form in which they can be plotted in engineering units by use of Winplot (a free graphing program written by Rick Paris); and 3) EUPLOT provides a quick means for looking at data files generated by EUGEN without the necessity of relying on the PVWAVE based plotting software.

Cheng, Chiu-Fu↗

Software for Preprocessing Data from Rocket-Engine Tests

Three computer programs have been written to preprocess digitized outputs of sensors during rocket-engine tests at Stennis Space Center (SSC). The programs apply exclusively to the SSC E test-stand complex and utilize the SSC file format. The programs are the following: Engineering Units Generator (EUGEN) converts sensor-output-measurement data to engineering units. The inputs to EUGEN are raw binary test-data files, which include the voltage data, a list identifying the data channels, and time codes. EUGEN effects conversion by use of a file that contains calibration coefficients for each channel. QUICKLOOK enables immediate viewing of a few selected channels of data, in contradistinction to viewing only after post-test processing (which can take 30 minutes to several hours depending on the number of channels and other test parameters) of data from all channels. QUICKLOOK converts the selected data into a form in which they can be plotted in engineering units by use of Winplot (a free graphing program written by Rick Paris). EUPLOT provides a quick means for looking at data files generated by EUGEN without the necessity of relying on the PV-WAVE based plotting software.

Cheng, Chiu-Fu↗

Analysis of Wallops Flight Test Data Through an Automated COTS System

During the summer of 2004 NASA Langley Research Center flight tested a Synthetic Vision System (SVS) at the Reno/Tahoe International Airport (RNO) and the Wallops Flight Facility (WAL). The SVS included a Runway Incursion Prevention System (RIPS) to improve pilot situational awareness while operating near and on the airport surface. The flight tests consisted of air and ground operations to evaluate and validate the performance of the system. This paper describes the flight test and emphasizes how positioning data was collected, post processed and analyzed through the use of a COTS-derived software system. The system that was developed to analyze the data was constructed within the MATLAB(TM) environment. The software was modified to read the data, perform several if-then scenarios and produce the relevant graphs, figures and tables.

Blackstock, Dexter Lee↗

Spotlight-8 Image Analysis Software

Spotlight is a cross-platform GUI-based software package designed to perform image analysis on sequences of images generated by combustion and fluid physics experiments run in a microgravity environment. Spotlight can perform analysis on a single image in an interactive mode or perform analysis on a sequence of images in an automated fashion. Image processing operations can be employed to enhance the image before various statistics and measurement operations are performed. An arbitrarily large number of objects can be analyzed simultaneously with independent areas of interest. Spotlight saves results in a text file that can be imported into other programs for graphing or further analysis. Spotlight can be run on Microsoft Windows, Linux, and Apple OS X platforms.

Klimek, Robert↗

Harnessing distributed GPU computing for generalizable graph convolutional networks in power grid reliability assessments

Although machine learning (ML) has emerged as a powerful tool for rapidly assessing grid contingencies, prior studies have largely considered a static grid topology in their analyses. This limits their application, since they need to be re-trained for every new topology. Here, this paper explores the development of generalizable graph convolutional network (GCN) models by pre-training them across a range of grid topologies and contingency types. We found that a GCN model with auto-regressive moving average (ARMA) layers with a line graph representation of the grid offered the best predictive performance in predicting voltage magnitudes (VM) and voltage angles (VA). We introduced the concept of phantom nodes to consider disparate grid topologies with a varying number of nodes and lines. For pre-training the GCN ARMA model across a variety of topologies, distributed graphics processing unit (GPU) computing afforded us significant training scalability. The predictive performance of this model on grid topologies that were part of the training data is substantially better than the direct current (DC) approximation. Although direct application of the pre-trained model to topologies that are not part of the grid is not particularly satisfactory, fine-tuning with small amounts of data from a specific topology of interest significantly improves predictive performance. In general, this paper highlights the feasibility of training large-scale GNN models to assess the reliability of power grids by considering a wide variety of grid topologies and contingency types. With the advent of foundational models in ML and the exponential increase in GPU computing clusters, generalizable ML models will significantly enhance how utilities manage power systems and make decisions in real-time or near-real-time.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

Ensuring thermodynamic consistency with invertible coarse-graining

Coarse-grained models are a core computational tool in theoretical chemistry and biophysics. A judicious choice of a coarse-grained model can yield physical insights by isolating the essential degrees of freedom that dictate the thermodynamic properties of a complex, condensed-phase system. The reduced complexity of the model typically leads to lower computational costs and more efficient sampling compared with atomistic models. Designing “good” coarse-grained models is an art. Generally, the mapping from fine-grained configurations to coarse-grained configurations itself is not optimized in any way; instead, the energy function associated with the mapped configurations is. In this work, we explore the consequences of optimizing the coarse-grained representation alongside its potential energy function. We use a graph machine learning framework to embed atomic configurations into a low-dimensional space to produce efficient representations of the original molecular system. Because the representation we obtain is no longer directly interpretable as a real-space representation of the atomic coordinates, we also introduce an inversion process and an associated thermodynamic consistency relation that allows us to rigorously sample fine-grained configurations conditioned on the coarse-grained sampling. We illustrate that this technique is robust, recovering the first two moments of the distribution of several observables in proteins such as chignolin and alanine dipeptide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An Intelligent Garbage Sorting System Based on Edge Computing and Visual Understanding of Social Internet of Vehicles

In order to enable Social Internet of Vehicles devices to achieve the purpose of intelligent and autonomous garbage classification in a public environment, while avoiding network congestion caused by a large amount of data accessing the cloud at the same time, it is therefore considered to combine mobile edge computing with Social Internet of Vehicles to give full play to mobile edge computing features of high bandwidth and low latency. At the same time, based on cutting-edge technologies such as deep learning, knowledge graph, and 5G transmission, the paper builds an intelligent garbage sorting system based on edge computing and visual understanding of Social Internet of Vehicles. First of all, for the massive multisource heterogeneous Social Internet of Vehicles big data in the public environment, different item modal data adopts different processing methods, aiming to obtain a visual understanding model. Secondly, using the 5G network, the model is deployed on the edge device and the cloud for cloud-side collaborative management, aiming to avoid the waste of edge node resources, while ensuring the data privacy of the edge node. Finally, the Social Internet of Vehicles devices is used to make intelligent decision-making on the big data of the items. First, the items are judged as garbage, and then the category is judged, and finally the task of grabbing and sorting is realized. The experimental results show that the system proposed in this paper can efficiently process the big data of Social Internet of Vehicles and make valuable intelligent decisions. At the same time, it also has a certain role in promoting the promotion of Social Internet of Vehicles devices.

Shen, Xuehao↗

Kinematic distributions for electron pair production by muons

Cross sections and kinematic distributions for the trident production process plus or negative muon plus charge yields plus or minus muon plus electron plus positron plus charge (with charge = dipion moment and Fe) are given for beam energies of 100 to 300 GeV at fixed (electron positron) masses from 5 to 15 GeV. This process is interesting as a test of quantum electrodynamics at high energies, and in particular as a test of the form of the photon propagator at large timelike (four-momentum) squared. For this purpose, it is desirable to impose kinematic cuts that favor those Bethe-Heitler graphs which contain a timelike photon propagator. It is found that there are substantial differences between the kinematic distributions for the full Bethe-Heitler matrix element and the distributions for the two timelike-photon graphs alone; these differences can be exploited in the selection of appropriate kinematic cuts.

Linsker, R.↗

Representations of mechanical assembly sequences

Five types of representations for assembly sequences are reviewed: the directed graph of feasible assembly sequences, the AND/OR graph of feasible assembly sequences, the set of establishment conditions, and two types of sets of precedence relationships. (precedence relationships between the establishment of one connection between parts and the establishment of another connection, and precedence relationships between the establishment of one connection and states of the assembly process). The mappings of one representation into the others are established. The correctness and completeness of these representations are established. The results presented are needed in the proof of correctness and completeness of algorithms for the generation of mechanical assembly sequences.

Homem De Mello, Luiz S.↗