arXiv subjects

Sebastian Schmitt

Publications and source records attributed to Sebastian Schmitt.

At least 19 recordsLinked to original sources

arXiv2026

Comparing Qubit and Qudit Encodings for EV Charging and Trip Assignment Problems

Variational quantum algorithms have attracted attention for their potential to solve combinatorial optimization problems. We study how the choice of encoding affects the resource requirements and optimization behavior of a variational quantum optimization algorithm. In order to quantify these effects, realistically inspired constrained electric vehicle (EV) fleet management problems were considered. These problems couple determining the optimal EV battery charging schedule with assigning EVs to trips requested by customers. We compare a conventional binary (qubit) trip encoding with an integer (qudit) encoding that represents assignments more directly. Both encodings guarantee the same feasible solution set, while the qudit encoding exponentially reduces the required Hilbert-space dimension. We solve many random instances of highly constrained uni- and bi-directional charging problems using qudit-based quantum approximate optimization algorithm (QAOA) and thoroughly evaluate the performance results. We find that the qudit encoding of customer trips achieves similar or better optimization performance at much reduced resource requirements and shorter simulation runtime. These results highlight qudit-native encodings as a practical route for integer and multi-valued scheduling problems in variational quantum optimization.

quant-ph↗

arXiv2026

Experimental demonstration of the absence of noise-induced barren plateaus using information content landscape analysis

Variational quantum algorithms are promising candidates for near-term quantum computing but can be hindered by barren plateaus, where gradients vanish exponentially and optimization becomes intractable. Noise-Induced Barren Plateaus (NIBP) are particularly concerning because they are predicted to arise generically from noise accumulation, independent of system size, circuit structure, and observable locality. We experimentally investigate NIBP on IBM quantum hardware. Using Information Content Landscape Analysis (ICLA), we efficiently estimate gradient norms for variational circuits ranging from 8 to 102 qubits, up to hundreds of parameters and circuit runtimes of hundreds of microseconds. Contrary to NIBP expectations, we observe that gradient magnitudes saturate beyond a characteristic runtime rather than decaying exponentially. Classical simulations of the 8-qubit case under noiseless, depolarizing, amplitude-damping, and dephasing noise models support this behavior. Consistent with recent theory, our results show that $T_1$-dominated non-unital noise inhibits the emergence of NIBP. Our analysis suggest that average calibration metrics may be insufficient to predict variational algorithm performance.

quant-ph↗

arXiv2026

Hybrid Machine Learning for Enhanced Prediction of Diffusion Coefficients in Liquids

Diffusion coefficients are key thermophysical properties for modeling mass transport in liquids, but experimental data are scarce, making reliable prediction methods indispensable. In the present work, we introduce a new method for predicting diffusion coefficients of molecular components at infinite dilution in pure liquid solvents by integrating the Stokes-Einstein (SE) equation with machine learning (ML). Unlike previous ML approaches, the resulting hybrid Enhanced Stokes-Einstein (ESE) model provides strictly physically consistent predictions for diffusion coefficients as a function of temperature across a broad range of binary mixtures. Trained and validated using an extensive compilation of literature data for infinite-dilution diffusion coefficients in binary liquid systems, ESE achieves significantly higher prediction accuracies than the previous state-of-the-art model, SEGWE, while requiring only the SMILES strings encoding of the molecular formulae of the components of interest as additional inputs, which are always available. This simplicity makes ESE broadly applicable, e.g., for process design and optimization. The ESE model and its source code are fully disclosed and are directly accessible via an interactive web interface at https://ml-prop.mv.rptu.de/.

physics.chem-ph↗

arXiv2026

Enabling Low-Latency Machine learning on Radiation-Hard FPGAs with hls4ml

This paper presents an end-to-end demonstration of a viable, ultra-fast, radiation-hard machine learning (ML) application on FPGAs, which could be used in future high-energy physics experiments. We present a three-fold contribution, with the PicoCal calorimeter, planned for the LHCb Upgrade II experiment, used as a test case. First, we develop a lightweight autoencoder to compress a 32-sample timing readout, representative of that of the PicoCal, into a two-dimensional latent space. Second, we introduce a systematic, hardware-aware quantization strategy and show that the model can be reduced to 10-bit weights with minimal performance loss. Third, as a barrier to the adoption of on-detector ML is the lack of support for radiation-hard FPGAs in the High-Energy Physics community's standard ML synthesis tool, hls4ml, we develop a new backend for this library. This new back-end enables the automatic translation of ML models into High-Level Synthesis (HLS) projects for the Microchip PolarFire family of FPGAs, one of the few commercially available and radiation hard FPGAs. We present the synthesis of the autoencoder on a target PolarFire FPGA, which indicates that a latency of 25 ns can be achieved. We show that the resources utilized are low enough that the model can be placed within the inherently protected logic of the FPGA. Our extension to hls4ml is a significant contribution, paving the way for broader adoption of ML on FPGAs in high-radiation environments.

hep-ex↗

arXiv2026

Improving Quantum Multi-Objective Optimization with Archiving and Substitution

Finding optimal solutions of conflicting objectives is a daily matter in many industrial applications, with multi-objective optimization trying to find the best solutions to them. The advent of quantum computing has led to researchers wondering if the promised exponential advantage can be obtained for these problems by variational quantum multi-objective optimization (QMOO) algorithm. Here, we improve it by introducing a Pareto Archive and dominated solutions substitution, clearly improving in hyper-volume convergence at additional quantum and classical cost. We propose the use of RMNK-landscapes as a unifying testbed for benchmarking QMOO, as it is common in classical multi-objective field. By devising a generic classical-to-quantum mapping of these landscapes, we perform a numerical hyperparameter tuning of QMOO, significantly enhancing its performance. Finally, we compare QMOO against well-known classical solvers for multi-objective tasks, NSGA-II/III, showing comparable results in small instances. Our results demonstrate that QMOO, when carefully tuned for the task at hand, might be advantageous on harder problems than its classical counterparts.

quant-ph↗

arXiv2026

Prospects for Measuring $CP$-Violation in $B_s^0 \rightarrow ϕμ^+μ^-$ via Time-Dependent Angular Analysis

This work investigates the prospects for performing a time-dependent angular analysis of $B_s^0 \rightarrow ϕμ^+μ^-$ decays at hadron colliders, and introduces new optimised angular observables associated with $B_s^0$-mixing in the decay rate. The time-dependent normalised decay rate and corresponding probability density function is presented both for when the flavour of the $B_s^0$ meson at production is tagged and when it is untagged. The normalised angular terms linked to $B_s^0$-mixing in the tagged (untagged) case are denoted $\mathcal{Z}_i$ ($\mathcal{H}_i$), and their optimised counterparts as $Q_i$ ($\mathcal{M}_i$). The expected sensitivities of these observables at the end of Run 3, Run 4, and Run 5 of the LHC are determined using pseudoexperiments generated with a decay-time resolution, background level, and signal yield similar to those reported by the LHCb collaboration. It is found that all observables can be extracted with Run 3 statistics, and that the $\mathcal{H}_i$ and $\mathcal{Z}_i$ observables have similar sensitivity, despite the former being suppressed by mixing terms. Moreover, the angular observables only accessible via flavour tagging, such as the equivalent of $P_5^{\prime}$ in the $B^0_s$ system, are found to exhibit sensitivities comparable to current measurements in $B^0 \rightarrow K^{\ast 0} μ^+μ^-$ decays once Run 5 datasets are available. Fits to the observables to extract the Wilson coefficients show a significant increase in precision when either the observables accessible via time-dependent analysis, or flavour tagging, are included. A marked increase in sensitivity to $CP$-violating short-distance effects is observed for a subset of the new optimised $M_i$ and $Q_i$ observables.

hep-ex↗

arXiv2026

Machine learning with minimal use of quantum computers: Provable advantages in Learning Under Quantum Privileged Information (LUQPI)

Quantum machine learning (QML) is often listed as a promising candidate for useful applications of quantum computers, in part due to numerous proofs of possible quantum advantages. A central question is how small a role quantum computers can play while still enabling provable learning advantages over classical methods. We study an especially restricted setting in which a quantum computer is used only as a feature extractor: it acts independently on individual data points, without access to labels or global dataset information, is available only to augment the training set, and is not available at deployment. Training and deployment are therefore carried out by fully classical learners on a dataset augmented with quantum-generated features. We formalize this model by adapting the classical framework of Learning Under Privileged Information (LUPI) to the quantum case, which we call Learning Under Quantum Privileged Information (LUQPI). Within this framework, we show that even such minimally involved quantum feature extraction, available only during training, can yield exponential quantum-classical separations for suitable concept classes and data distributions under reasonable computational assumptions. We further situate LUQPI within a taxonomy of related quantum and classical learning settings and show how standard classical machinery, most notably the SVM+ algorithm, can exploit quantum-augmented data. Finally, we present numerical experiments in a physically motivated many-body setting, where privileged quantum features are expectation values of observables on ground states, and observe consistent performance gains for LUQPI-style models over strong classical baselines.

quant-ph↗

arXiv2025

Industrial Energy Disaggregation with Digital Twin-generated Dataset and Efficient Data Augmentation

Industrial Non-Intrusive Load Monitoring (NILM) is limited by the scarcity of high-quality datasets and the complex variability of industrial energy consumption patterns. To address data scarcity and privacy issues, we introduce the Synthetic Industrial Dataset for Energy Disaggregation (SIDED), an open-source dataset generated using Digital Twin simulations. SIDED includes three types of industrial facilities across three different geographic locations, capturing diverse appliance behaviors, weather conditions, and load profiles. We also propose the Appliance-Modulated Data Augmentation (AMDA) method, a computationally efficient technique that enhances NILM model generalization by intelligently scaling appliance power contributions based on their relative impact. We show in experiments that NILM models trained with AMDA-augmented data significantly improve the disaggregation of energy consumption of complex industrial appliances like combined heat and power systems. Specifically, in our out-of-sample scenarios, models trained with AMDA achieved a Normalized Disaggregation Error of 0.093, outperforming models trained without data augmentation (0.451) and those trained with random data augmentation (0.290). Data distribution analyses confirm that AMDA effectively aligns training and test data distributions, enhancing model generalization.

cs.LG↗

arXiv2025

Plastic Arbor: a modern simulation framework for synaptic plasticity -- from single synapses to networks of morphological neurons

Arbor is a software library designed for efficient simulation of large-scale networks of biological neurons with detailed morphological structures. It combines customizable neuronal and synaptic mechanisms with high-performance computing, supporting multi-core CPU and GPU systems. In humans and other animals, synaptic plasticity processes play a vital role in cognitive functions, including learning and memory. Recent studies have shown that intracellular molecular processes in dendrites significantly influence single-neuron dynamics. However, for understanding how the complex interplay between dendrites and synaptic processes influences network dynamics, computational modeling is required. To enable the modeling of large-scale networks of morphologically detailed neurons with diverse plasticity processes, we have extended the Arbor library to support simulations of a large variety of spike-driven plasticity paradigms. To showcase the features of the extended framework, we present examples of computational models, beginning with single-synapse dynamics, progressing to multi-synapse rules, and finally scaling up to large recurrent networks. While cross-validating our implementations by comparison with other simulators, we show that Arbor allows simulating plastic networks of multi-compartment neurons at nearly no additional cost in runtime compared to point-neuron simulations. In addition, we demonstrate that Arbor is highly efficient in terms of runtime and memory use as compared to other simulators. Using the extended framework, as an example, we investigate the impact of dendritic structures on network dynamics across a timescale of several hours, finding a relation between the length of dendritic trees and the ability of the network to efficiently store information. By our extension of Arbor, we aim to provide a valuable tool that will support future studies on the impact of synaptic plasticity, especially, in conjunction with neuronal morphology, in large networks.

cs.CE↗

arXiv2025

A Real-World Energy Management Dataset from a Smart Company Building for Optimization and Machine Learning

We present a large real-world dataset obtained from monitoring a smart company facility over the course of six years, from 2018 to 2023. The dataset includes energy consumption data from various facility areas and components, energy production data from a photovoltaic system and a combined heat and power plant, operational data from heating and cooling systems, and weather data from an on-site weather station. The measurement sensors installed throughout the facility are organized in a hierarchical metering structure with multiple sub-metering levels, which is reflected in the dataset. The dataset contains measurement data from 72 energy meters, 9 heat meters and a weather station. Both raw and processed data at different processing levels, including labeled issues, is available. In this paper, we describe the data acquisition and post-processing employed to create the dataset. The dataset enables the application of a wide range of methods in the domain of energy management, including optimization, modeling, and machine learning to optimize building operations and reduce costs and carbon emissions.

eess.SY↗

arXiv2025

Entropy Scaling for Diffusion Coefficients in Fluid Mixtures

Entropy scaling is a powerful technique that has been used for predicting transport properties of pure components over a wide range of states. However, modeling mixture diffusion coefficients by entropy scaling is an unresolved task. We tackle this issue and present an entropy scaling framework for predicting mixture self-diffusion coefficients as well as mutual diffusion coefficients in a thermodynamically consistent way. The predictions of the mixture diffusion coefficients are made based on information on the self-diffusion coefficients of the pure components and the infinite-dilution diffusion coefficients. This is accomplished using information on the entropy of the mixture, which is taken here from molecular-based equations of state. Examples for the application of the entropy scaling framework for the prediction of diffusion coefficients in mixtures illustrate its performance. It enables predictions over a wide range of temperatures and pressures including gaseous, liquid, supercritical, and metastable states - also for strongly non-ideal mixtures.

physics.chem-ph↗

arXiv2024

Demonstrating the Advantages of Analog Wafer-Scale Neuromorphic Hardware

As numerical simulations grow in size and complexity, they become increasingly resource-intensive in terms of time and energy. While specialized hardware accelerators often provide order-of-magnitude gains and are state of the art in other scientific fields, their availability and applicability in computational neuroscience is still limited. In this field, neuromorphic accelerators, particularly mixed-signal architectures like the BrainScaleS systems, offer the most significant performance benefits. These systems maintain a constant, accelerated emulation speed independent of network model and size. This is especially beneficial when traditional simulators reach their limits, such as when modeling complex neuron dynamics, incorporating plasticity mechanisms, or running long or repetitive experiments. However, the analog nature of these systems introduces new challenges. In this paper we demonstrate the capabilities and advantages of the BrainScaleS-1 system and how it can be used in combination with conventional software simulations. We report the emulation time and energy consumption for two biologically inspired networks adapted to the neuromorphic hardware substrate: a balanced random network based on Brunel and the cortical microcircuit from Potjans and Diesmann.

cs.NE↗

arXiv2024

Variational Quantum Multi-Objective Optimization

Solving combinatorial optimization problems on near-term quantum devices has gained a lot of attraction in recent years. Currently, most works have focused on single-objective problems, whereas many real-world applications need to consider multiple, mostly conflicting objectives, such as cost and quality. We present a variational quantum optimization algorithm to solve discrete multi-objective optimization problems on quantum computers. The proposed quantum multi-objective optimization (QMOO) algorithm incorporates all cost Hamiltonians representing the classical objective functions in the quantum circuit and produces a quantum state consisting of Pareto-optimal solutions in superposition. From this state we retrieve a set of solutions and utilize the widely applied hypervolume indicator to determine its quality as an approximation to the Pareto-front. The variational parameters of the QMOO circuit are tuned by maximizing the hypervolume indicator in a quantum-classical hybrid fashion. We show the effectiveness of the proposed algorithm on several benchmark problems with up to five objectives. We investigate the influence of the classical optimizer, the circuit depth and compare to results from classical optimization algorithms. We find that the algorithm is robust to shot noise and produces good results with as low as 128 measurement shots in each iteration. These promising result open the perspective to run the algorithm on near-term quantum hardware.

quant-ph↗

arXiv2024

Inequality constraints in variational quantum circuits with qudits

Quantum optimization is emerging as a prominent candidate for exploiting the capabilities of near-term quantum devices. Many application-relevant optimization tasks require the inclusion of inequality constraints, usually handled by enlarging the Hilbert space through the addition of slack variables. This approach, however, requires significant additional resources especially when considering multiple constraints. Here, we study an alternative direct implementation of these constraints within the QAOA algorithm, achieved using qudit-SUM gates, and compare it to the slack variable method generalized to qudits. We benchmark these approaches on three paradigmatic optimization problems. We find that the direct implementation of the inequality penalties vastly outperforms the slack variables method, especially when studying real-world inspired problems with many constraints. Within the direct penalty implementation, a linear energy penalty for unfeasible states outperforms other investigated functional forms, such as the canonical quadratic penalty. The proposed approach may thus be an enabling step for approaching realistic industry-scale and fundamental science problems with large numbers of inequality constraints.

quant-ph↗

arXiv2024

Identification of Energy Management Configuration Concepts from a Set of Pareto-optimal Solutions

Implementing resource efficient energy management systems in facilities and buildings becomes increasingly important in the transformation to a sustainable society. However, selecting a suitable configuration based on multiple, typically conflicting objectives, such as cost, robustness with respect to uncertainty of grid operation, or renewable energy utilization, is a difficult multi-criteria decision making problem. The recently developed concept identification technique can facilitate a decision maker by sorting configuration options into semantically meaningful groups (concepts). In this process, the partitioning of the objectives and design parameters into different sets (called description spaces) is a very important step. In this study we focus on utilizing the concept identification technique for finding relevant and viable energy management configurations from a very large data set of Pareto-optimal solutions. The data set consists of 20000 realistic Pareto-optimal building energy management configurations generated by a many-objective evolutionary optimization of a high quality Digital Twin energy management simulator. We analyze how the choice of description spaces, i.e., the partitioning of the objectives and parameters, impacts the type of information that can be extracted. We show that the decision maker can introduce constraints and biases into that process to meet expectations and preferences. The iterative approach presented in this work allows for the generation of valuable insights into trade-offs between specific objectives, and constitutes a powerful and flexible tool to support the decision making process when designing large and complex energy management systems.

cs.LG↗

arXiv2023

Simulation-based Inference for Model Parameterization on Analog Neuromorphic Hardware

The BrainScaleS-2 (BSS-2) system implements physical models of neurons as well as synapses and aims for an energy-efficient and fast emulation of biological neurons. When replicating neuroscientific experiments on BSS-2, a major challenge is finding suitable model parameters. This study investigates the suitability of the sequential neural posterior estimation (SNPE) algorithm for parameterizing a multi-compartmental neuron model emulated on the BSS-2 analog neuromorphic system. The SNPE algorithm belongs to the class of simulation-based inference methods and estimates the posterior distribution of the model parameters; access to the posterior allows quantifying the confidence in parameter estimations and unveiling correlation between model parameters. For our multi-compartmental model, we show that the approximated posterior agrees with experimental observations and that the identified correlation between parameters fits theoretical expectations. Furthermore, as already shown for software simulations, the algorithm can deal with high-dimensional observations and parameter spaces when the data is generated by emulations on BSS-2. These results suggest that the SNPE algorithm is a promising approach for automating the parameterization and the analyzation of complex models, especially when dealing with characteristic properties of analog neuromorphic substrates, such as trial-to-trial variations or limited parameter ranges.

cs.NE↗

arXiv2023

Understanding Concept Identification as Consistent Data Clustering Across Multiple Feature Spaces

Identifying meaningful concepts in large data sets can provide valuable insights into engineering design problems. Concept identification aims at identifying non-overlapping groups of design instances that are similar in a joint space of all features, but which are also similar when considering only subsets of features. These subsets usually comprise features that characterize a design with respect to one specific context, for example, constructive design parameters, performance values, or operation modes. It is desirable to evaluate the quality of design concepts by considering several of these feature subsets in isolation. In particular, meaningful concepts should not only identify dense, well separated groups of data instances, but also provide non-overlapping groups of data that persist when considering pre-defined feature subsets separately. In this work, we propose to view concept identification as a special form of clustering algorithm with a broad range of potential applications beyond engineering design. To illustrate the differences between concept identification and classical clustering algorithms, we apply a recently proposed concept identification algorithm to two synthetic data sets and show the differences in identified solutions. In addition, we introduce the mutual information measure as a metric to evaluate whether solutions return consistent clusters across relevant subsets. To support the novel understanding of concept identification, we consider a simulated data set from a decision-making problem in the energy management domain and show that the identified clusters are more interpretable with respect to relevant feature subsets than clusters found by common clustering algorithms and are thus more suitable to support a decision maker.

cs.LG↗

arXiv2023

A Hybrid Quantum-Classical Approach to the Electric Mobility Problem

We suggest a hybrid quantum-classical routine for the NP-hard Electric Vehicle Fleet Charging and Allocation Problem. The original formulation is a Mixed Integer Linear Program with continuous variables and inequality constraints. To separate inequality constraints that are difficult for quantum routines we use a decomposition in master and pricing problems: the former targets the assignment of vehicles to reservations and the latter suggests vehicle exploitation plans that respect the battery state-of-charge constraints. The master problem is equivalent to the search for an optimal set partition. In our hybrid scheme, the master problem is reformulated in a quadratic unconstrained binary optimization problem which can be solved with quantum annealing on the DWave Advantage system. On large instances, we benchmark the performance of the decomposition technique with classical and quantum-inspired metaheuristics: simulated annealing, tabu search, and vector annealing by NEC. The numerical results with purely classical solvers are comparable to the solutions from the traditional mixed integer linear programming approaches in terms of solution quality while being faster. In addition, it scales better to larger instances. The major advantage of the proposed approach is that it enables quantum-based methods for this realistic problem with many inequality constraints. We show this by initial studies on DWave hardware where optimal solutions can be found for small instances.

quant-ph↗