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A Guide to Bayesian Optimization in Bioprocess Engineering

arXiv.org Machine Learning

Bayesian optimization has become widely popular across various experimental sciences due to its favorable attributes: it can handle noisy data, perform well with relatively small datasets, and provide adaptive suggestions for sequential experimentation. While still in its infancy, Bayesian optimization has recently gained traction in bioprocess engineering. However, experimentation with biological systems is highly complex and the resulting experimental uncertainty requires specific extensions to classical Bayesian optimization. Moreover, current literature often targets readers with a strong statistical background, limiting its accessibility for practitioners. In light of these developments, this review has two aims: first, to provide an intuitive and practical introduction to Bayesian optimization; and second, to outline promising application areas and open algorithmic challenges, thereby highlighting opportunities for future research in machine learning.


Accelerating exoplanet climate modelling: A machine learning approach to complement 3D GCM grid simulations

arXiv.org Artificial Intelligence

With the development of ever-improving telescopes capable of observing exoplanet atmospheres in greater detail and number, there is a growing demand for enhanced 3D climate models to support and help interpret observational data from space missions like CHEOPS, TESS, JWST, PLATO, and Ariel. However, the computationally intensive and time-consuming nature of general circulation models (GCMs) poses significant challenges in simulating a wide range of exoplanetary atmospheres. This study aims to determine whether machine learning (ML) algorithms can be used to predict the 3D temperature and wind structure of arbitrary tidally-locked gaseous exoplanets in a range of planetary parameters. A new 3D GCM grid with 60 inflated hot Jupiters orbiting A, F, G, K, and M-type host stars modelled with Exorad has been introduced. A dense neural network (DNN) and a decision tree algorithm (XGBoost) are trained on this grid to predict local gas temperatures along with horizontal and vertical winds. To ensure the reliability and quality of the ML model predictions, WASP-121 b, HATS-42 b, NGTS-17 b, WASP-23 b, and NGTS-1 b-like planets, which are all targets for PLATO observation, are selected and modelled with ExoRad and the two ML methods as test cases. The DNN predictions for the gas temperatures are to such a degree that the calculated spectra agree within 32 ppm for all but one planet, for which only one single HCN feature reaches a 100 ppm difference. The developed ML emulators can reliably predict the complete 3D temperature field of an inflated warm to ultra-hot tidally locked Jupiter around A to M-type host stars. It provides a fast tool to complement and extend traditional GCM grids for exoplanet ensemble studies. The quality of the predictions is such that no or minimal effects on the gas phase chemistry, hence on the cloud formation and transmission spectra, are to be expected.


REFN: A Reinforcement-Learning-From-Network Framework against 1-day/n-day Exploitations

arXiv.org Artificial Intelligence

The exploitation of 1 day or n day vulnerabilities poses severe threats to networked devices due to massive deployment scales and delayed patching (average Mean Time To Patch exceeds 60 days). Existing defenses, including host based patching and network based filtering, are inadequate due to limited scalability across diverse devices, compatibility issues especially with embedded or legacy systems, and error prone deployment process (manual patch validation). To address these issues, we introduce REFN (Reinforcement Learning From Network), a novel framework that trains Large Language Models (LLMs) to autonomously generate network filters to prevent 1 day or n day exploitations. REFN ensures scalability by uniquely employs Reinforcement Learning (RL) driven by online network rewards instead of traditional Human Feedback (RLHF). REFN guarantees compatibility via unified deployment on edge security gateways (Amazon Eero). REFN provides robustness via online validation using real network traffic. Crucially, REFN addresses three core challenges in training LLMs for exploit prevention: 1) expanding current LLMs limited vulnerability fixing expertise via Agentic RAG based Knowledge Distillation, 2) bridging current LLMs language to network gaps through an RL From VNF Pipeline that translates language context (vulnerability description) into network enforcement, 3) addressing the LLM hallucination and non determinism via the Online Agentic Validation that penalizes erroneous outputs. Evaluated across 22 families of 1 day or n day exploits, REFN demonstrates effectiveness (21.1 percent higher accuracy than alternatives), efficiency (Mean Time To Patch of 3.65 hours) and scalability (easily scale to 10K devices). REFN serves as an initial step toward training LLMs to rapidly prevent massive scale 1 day or n day exploitations.


Geospatial Diffusion for Land Cover Imperviousness Change Forecasting

arXiv.org Artificial Intelligence

Land cover, both present and future, has a significant effect on several important Earth system processes. For example, impervious surfaces heat up and speed up surface water runoff and reduce groundwater infiltration, with concomitant effects on regional hydrology and flood risk. While regional Earth System models have increasing skill at forecasting hydrologic and atmospheric processes at high resolution in future climate scenarios, our ability to forecast land-use and land-cover change (LULC), a critical input to risk and consequences assessment for these scenarios, has lagged behind. In this paper, we propose a new paradigm exploiting Generative AI (GenAI) for land cover change forecasting by framing LULC forecasting as a data synthesis problem conditioned on historical and auxiliary data-sources. We discuss desirable properties of generative models that fundament our research premise, and demonstrate the feasibility of our methodology through experiments on imperviousness forecasting using historical data covering the entire conterminous United States. Specifically, we train a diffusion model for decadal forecasting of imperviousness and compare its performance to a baseline that assumes no change at all. Evaluation across 12 metropolitan areas for a year held-out during training indicate that for average resolutions $\geq 0.7\times0.7km^2$ our model yields MAE lower than such a baseline. This finding corroborates that such a generative model can capture spatiotemporal patterns from historical data that are significant for projecting future change. Finally, we discuss future research to incorporate auxiliary information on physical properties about the Earth, as well as supporting simulation of different scenarios by means of driver variables.


Synthesis of Deep Neural Networks with Safe Robust Adaptive Control for Reliable Operation of Wheeled Mobile Robots

arXiv.org Artificial Intelligence

Deep neural networks (DNNs) can enable precise control while maintaining low computational costs by circumventing the need for dynamic modeling. However, the deployment of such black-box approaches remains challenging for heavy-duty wheeled mobile robots (WMRs), which are subject to strict international standards and prone to faults and disturbances. We designed a hierarchical control policy for heavy-duty WMRs, monitored by two safety layers with differing levels of authority. To this end, a DNN policy was trained and deployed as the primary control strategy, providing high-precision performance under nominal operating conditions. When external disturbances arise and reach a level of intensity such that the system performance falls below a predefined threshold, a low-level safety layer intervenes by deactivating the primary control policy and activating a model-free robust adaptive control (RAC) policy. This transition enables the system to continue operating while ensuring stability by effectively managing the inherent trade-off between system robustness and responsiveness. Regardless of the control policy in use, a high-level safety layer continuously monitors system performance during operation. It initiates a shutdown only when disturbances become sufficiently severe such that compensation is no longer viable and continued operation would jeopardize the system or its environment. The proposed synthesis of DNN and RAC policy guarantees uniform exponential stability of the entire WMR system while adhering to safety standards to some extent. The effectiveness of the proposed approach was further validated through real-time experiments using a 6,000 kg WMR.


Virtual Sensing for Solder Layer Degradation and Temperature Monitoring in IGBT Modules

arXiv.org Artificial Intelligence

Monitoring the degradation state of Insulated Gate Bipolar Transistor (IGBT) modules is essential for ensuring the reliability and longevity of power electronic systems, especially in safety-critical and high-performance applications. However, direct measurement of key degradation indicators - such as junction temperature, solder fatigue or delamination - remains challenging due to the physical inaccessibility of internal components and the harsh environment. In this context, machine learning-based virtual sensing offers a promising alternative by bridging the gap from feasible sensor placement to the relevant but inaccessible locations. This paper explores the feasibility of estimating the degradation state of solder layers, and the corresponding full temperature maps based on a limited number of physical sensors. Based on synthetic data of a specific degradation mode, we obtain a high accuracy in the estimation of the degraded solder area (1.17% mean absolute error), and are able to reproduce the surface temperature of the IGBT with a maximum relative error of 4.56% (corresponding to an average relative error of 0.37%).


Pinet: Optimizing hard-constrained neural networks with orthogonal projection layers

arXiv.org Artificial Intelligence

We introduce an output layer for neural networks that ensures satisfaction of convex constraints. Our approach, $ฮ $net, leverages operator splitting for rapid and reliable projections in the forward pass, and the implicit function theorem for backpropagation. We deploy $ฮ $net as a feasible-by-design optimization proxy for parametric constrained optimization problems and obtain modest-accuracy solutions faster than traditional solvers when solving a single problem, and significantly faster for a batch of problems. We surpass state-of-the-art learning approaches in terms of training time, solution quality, and robustness to hyperparameter tuning, while maintaining similar inference times. Finally, we tackle multi-vehicle motion planning with non-convex trajectory preferences and provide $ฮ $net as a GPU-ready package implemented in JAX with effective tuning heuristics.


On Understanding of the Dynamics of Model Capacity in Continual Learning

arXiv.org Artificial Intelligence

The stability-plasticity dilemma, closely related to a neural network's (NN) capacity-its ability to represent tasks-is a fundamental challenge in continual learning (CL). Within this context, we introduce CL's effective model capacity (CLEMC) that characterizes the dynamic behavior of the stability-plasticity balance point. We develop a difference equation to model the evolution of the interplay between the NN, task data, and optimization procedure. We then leverage CLEMC to demonstrate that the effective capacity-and, by extension, the stability-plasticity balance point is inherently non-stationary. We show that regardless of the NN architecture or optimization method, a NN's ability to represent new tasks diminishes when incoming task distributions differ from previous ones. We conduct extensive experiments to support our theoretical findings, spanning a range of architectures-from small feedforward network and convolutional networks to medium-sized graph neural networks and transformer-based large language models with millions of parameters.


On-Device Crack Segmentation for Edge Structural Health Monitoring

arXiv.org Artificial Intelligence

Crack segmentation can play a critical role in Structural Health Monitoring (SHM) by enabling accurate identification of crack size and location, which allows to monitor structural damages over time. However, deploying deep learning models for crack segmentation on resource-constrained microcontrollers presents significant challenges due to limited memory, computational power, and energy resources. To address these challenges, this study explores lightweight U-Net architectures tailored for TinyML applications, focusing on three optimization strategies: filter number reduction, network depth reduction, and the use of Depthwise Separable Convolutions (DWConv2D). Our results demonstrate that reducing convolution kernels and network depth significantly reduces RAM and Flash requirement, and inference times, albeit with some accuracy trade-offs. Specifically, by reducing the filer number to 25%, the network depth to four blocks, and utilizing depthwise convolutions, a good compromise between segmentation performance and resource consumption is achieved. This makes the network particularly suitable for low-power TinyML applications. This study not only advances TinyML-based crack segmentation but also provides the possibility for energy-autonomous edge SHM systems.