As the particle physics community needs higher and higher precisions in order to test our current model of the subatomic world, larger and larger datasets are necessary. With upgrades scheduled for the detectors of colliding-beam experiments around the world, and specifically at the Large Hadron Collider at CERN, more collisions and more complex interactions are expected. This directly implies an increase in data produced and consequently in the computational resources needed to process them. At CERN, the amount of data produced is gargantuan. This is why the data have to be heavily filtered and selected in real time before being permanently stored. This data can then be used to perform physics analyses, in order to expand our current understanding of the universe and improve the Standard Model of physics. This real-time filtering, known as triggering, involves complex processing happening often at frequencies as high as 40 MHz. This thesis contributes to understanding how machine learning models can be efficiently deployed in such environments, in order to maximize throughput and minimize energy consumption. Inevitably, modern hardware designed for such tasks and contemporary algorithms are needed in order to meet the challenges posed by the stringent, high-frequency data rates. In this work, I present our graph neural network-based pipeline, developed for charged particle track reconstruction at the LHCb experiment at CERN. The pipeline was implemented end-to-end inside LHCb's first-level trigger, entirely on GPUs. Its performance was compared against the classical tracking algorithms currently in production at LHCb. The pipeline was also accelerated on the FPGA architecture, and its performance in terms of power consumption and processing speed was compared against the GPU implementation.

In serial batch (s-batch) scheduling, jobs are grouped in batches and processed sequentially within their batch. This paper considers multiple parallel machines, nonidentical job weights and release times, and sequence-dependent setup times between batches of different families. Although s-batch has been widely studied in the literature, very few papers have taken into account a minimum batch size, typical in practical settings such as semiconductor manufacturing and the metal industry. The problem with this minimum batch size requirement has been mostly tackled with dynamic programming and meta-heuristics, and no article has ever used constraint programming (CP) to do so. This paper fills this gap by proposing, three CP models for s-batching with minimum batch size: (i) an Interval Assignment model that computes and bounds the size of the batches using the presence literals of interval variables of the jobs. The computational experiments on standard cases compare the three CP models with two existing mixed-integer programming (MIP) models from the literature. The results demonstrate the versatility of the proposed CP models to handle multiple variations of s-batching; and their ability to produce, in large instances, better solutions than the MIP models faster. Introduction In the current and highly competitive landscape of the manufacturing industry, companies are under growing pressure to minimize production costs and reduce cycle times. One effective strategy to improve efficiency is to process similar tasks, called jobs, together in groups known as batches [1]. There are two main ways to process these batches. In parallel batching (p-batch), all jobs in a batch are processed simultaneously [2]. In contrast, in serial batching (s-batch), jobs in a batch are processed sequentially one after another [3]. The benefits of p-batching are obvious since it saves time by processing multiple jobs at once. Similarly, s-batching is especially useful when grouping similar jobs can prevent repetitive machine setups, which are time-consuming and costly [4]. Serial batching appears in many industries, including metal processing [5], additive manufacturing (3D printing) [5, 6], paint [7] and pharmaceutical production [8], chemical manufacturing [9], and semiconductor manufacturing [10, 11].

After growing up without reliable power at home, Iwnetim Abate is working to develop a steady supply of sustainable energy. "I'm the only one who wears glasses and has eye problems in the family," Iwnetim Abate says with a smile as sun streams in through the windows of his MIT office. "I think it's because of the candles." In the small town in Ethiopia where he grew up, Abate's family had electricity, but it was unreliable. So, for several days each week when they were without power, Abate would finish his homework by candlelight. Today, Abate, 32, is an assistant professor at MIT in the department of materials science and engineering.

--This paper presents the design of a pose estimator for a four wheel independent steer four wheel independent drive (4WIS4WID) wall climbing mobile robot, based on the fusion of multimodal measurements, including wheel odometry, visual odometry, and an inertial measurement unit (IMU) data using Extended Kalman Filter (EKF) and Unscented Kalman Filter (UKF). The pose estimator is a critical component of wall climbing mobile robots, as their operational environment involves carrying precise measurement equipment and maintenance tools in construction, requiring information about pose on the building at the time of measurement. Due to the complex geometry and material properties of building fac ades, the use of traditional localization sensors such as laser, ultrasonic, or radar is often infeasible for wall-climbing robots. Moreover, GPS-based localization is generally unreliable in these environments because of signal degradation caused by reinforced concrete and electromagnetic interference. Consequently, robot odometry remains the primary source of velocity and position information, despite being susceptible to drift caused by both systematic and non-systematic errors. The calibrations of the robot's systematic parameters were conducted using nonlinear optimization and Levenberg-Marquardt methods as Newton-Gauss and gradient-based model fitting methods, while Genetic algorithm and Particle swarm were used as stochastic based methods for kinematic parameter calibration. Performance and results of the calibration methods and pose estimators were validated in detail with experiments on the experimental mobile wall climbing robot.

The flexibility of a power generation unit determines how quickly and often it can ramp up or down. In energy models, it depends on assumptions on the technical characteristics of the unit, such as its installed capacity or turbine technology. In this paper, we learn the empirical flexibility of gas units from their electricity generation, revealing how real-world limitations can lead to substantial differences between units with similar technical characteristics. Using a novel deep clustering approach, we transform 5 years (2019-2023) of unit-level hourly generation data for 49 German units from 100 MWp of installed capacity into low-dimensional embeddings. Our unsupervised approach identifies two clusters of peaker units (high flexibility) and two clusters of non-peaker units (low flexibility). The estimated ramp rates of non-peakers, which constitute half of the sample, display a low empirical flexibility, comparable to coal units. Non-peakers, predominantly owned by industry and municipal utilities, show limited response to low residual load and negative prices, generating on average 1.3 GWh during those hours. As the transition to renewables increases market variability, regulatory changes will be needed to unlock this flexibility potential.

Machine learning (ML) enables the development of powerful methods for predicting thermophysical properties with unprecedented scope and accuracy. However, technical barriers like cumbersome implementation in established workflows hinder their application in practice. With MLPROP, we provide an interactive web interface for directly applying advanced ML methods to predict thermophysical properties without requiring ML expertise, thereby substantially increasing the accessibility of novel models. MLPROP currently includes models for predicting the vapor pressure of pure components (GRAPPA), activity coefficients and vapor-liquid equilibria in binary mixtures (UNIFAC 2.0, mod. UNIFAC 2.0, and HANNA), and a routine to fit NRTL parameters to the model predictions. MLPROP will be continuously updated and extended and is accessible free of charge via https://ml-prop.mv.rptu.de/. MLPROP removes the barrier to learning and experimenting with new ML-based methods for predicting thermophysical properties. The source code of all models is available as open source, which allows integration into existing workflows.

Autonomously controlling quadrotors in large-scale subterranean environments is applicable to many areas such as environmental surveying, mining operations, and search and rescue. Learning-based controllers represent an appealing approach to autonomy, but are known to not generalize well to `out-of-distribution' environments not encountered during training. In this work, we train a normalizing flow-based prior over the environment, which provides a measure of how far out-of-distribution the quadrotor is at any given time. We use this measure as a runtime monitor, allowing us to switch between a learning-based controller and a safe controller when we are sufficiently out-of-distribution. Our methods are benchmarked on a point-to-point navigation task in a simulated 3D cave environment based on real-world point cloud data from the DARPA Subterranean Challenge Final Event Dataset. Our experimental results show that our combined controller simultaneously possesses the liveness of the learning-based controller (completing the task quickly) and the safety of the safety controller (avoiding collision).

Breakthroughs, discoveries, and DIY tips sent every weekday. Sweat stains are a white t-shirt's worst enemy. Unfortunately, that notorious fabric yellowing is often unavoidable due to the combination of oleic acid, squalene, and other organic compounds found in your skin oil and sweat. Factor in a chance encounter with natural food pigments like the carotene and lycopene found in tomatoes and oranges, and it's probably only a matter of time before you'll need to break out the bleach or hydrogen peroxide. Even then, the results are often unsatisfactory for your (once) vibrant white shirts.

Sequential decision-making is central to sustainable agricultural management and precision agriculture, where resource inputs must be optimized under uncertainty and over time. However, such decisions must often be made with limited observations, whereas classical bandit and reinforcement learning approaches typically rely on either linear or black-box reward models that may misrepresent domain knowledge or require large amounts of data. We propose a family of nonlinear, model-based bandit algorithms that embed domain-specific response curves directly into the exploration-exploitation loop. By coupling (i) principled uncertainty quantification with (ii) closed-form or rapidly computable profit optima, these algorithms achieve sublinear regret and near-optimal sample complexity while preserving interpretability. Theoretical analysis establishes regret and sample complexity bounds, and extensive simulations emulating real-world fertilizer-rate decisions show consistent improvements over both linear and nonparametric baselines (such as linear UCB and $k$-NN UCB) in the low-sample regime, under both well-specified and shape-compatible misspecified models. Because our approach leverages mechanistic insight rather than large data volumes, it is especially suited to resource-constrained settings, supporting sustainable, inclusive, and transparent sequential decision-making across agriculture, environmental management, and allied applications. This methodology directly contributes to SDG 2 (Zero Hunger) and SDG 12 (Responsible Consumption and Production) by enabling data-driven, less wasteful agricultural practices.

Nuclear Magnetic Resonance (NMR) spectroscopy is one of the most powerful and widely used tools for molecular structure elucidation in organic chemistry. However, the interpretation of NMR spectra to determine unknown molecular structures remains a labor-intensive and expertise-dependent process, particularly for complex or novel compounds. Although recent methods have been proposed for molecular structure elucidation, they often underperform in real-world applications due to inherent algorithmic limitations and limited high-quality data. Here, we present NMR-Solver, a practical and interpretable framework for the automated determination of small organic molecule structures from $^1$H and $^{13}$C NMR spectra. Our method introduces an automated framework for molecular structure elucidation, integrating large-scale spectral matching with physics-guided fragment-based optimization that exploits atomic-level structure-spectrum relationships in NMR. We evaluate NMR-Solver on simulated benchmarks, curated experimental data from the literature, and real-world experiments, demonstrating its strong generalization, robustness, and practical utility in challenging, real-life scenarios. NMR-Solver unifies computational NMR analysis, deep learning, and interpretable chemical reasoning into a coherent system. By incorporating the physical principles of NMR into molecular optimization, it enables scalable, automated, and chemically meaningful molecular identification, establishing a generalizable paradigm for solving inverse problems in molecular science.