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Conformal prediction is a generic methodology for finite-sample valid distribution-free prediction. This technique has garnered a lot of attention in the literature partly because it can be applied with any machine learning algorithm that provides point predictions to yield valid prediction regions. Of course, the efficiency (width/volume) of the resulting prediction region depends on the performance of the machine learning algorithm. In the context of point prediction, several techniques (such as cross-validation) exist to select one of many machine learning algorithms for better performance. In contrast, such selection techniques are seldom discussed in the context of set prediction (or prediction regions). In this paper, we consider the problem of obtaining the smallest conformal prediction region given a family of machine learning algorithms. We provide two general-purpose selection algorithms and consider coverage as well as width properties of the final prediction region. The first selection method yields the smallest width prediction region among the family of conformal prediction regions for all sample sizes but only has an approximate coverage guarantee. The second selection method has a finite sample coverage guarantee but only attains close to the smallest width. The approximate optimal width property of the second method is quantified via an oracle inequality. As an illustration, we consider the use of aggregation of non-parametric regression estimators in the split conformal method with the absolute residual conformal score.

Modeling the kinematics and dynamics of robotics systems with suspended loads using dual quaternions has not been explored so far. This paper introduces a new innovative control strategy using dual quaternions for UAVs with cable-suspended loads, focusing on the sling load lifting and tracking problems. By utilizing the mathematical efficiency and compactness of dual quaternions, a unified representation of the UAV and its suspended load's dynamics and kinematics is achieved, facilitating the realization of load lifting and trajectory tracking. The simulation results have tested the proposed strategy's accuracy, efficiency, and robustness. This study makes a substantial contribution to present this novel control strategy that harnesses the benefits of dual quaternions for cargo UAVs. Our work also holds promise for inspiring future innovations in under-actuated systems control using dual quaternions.

Biometric systems based on brain activity have been proposed as an alternative to passwords or to complement current authentication techniques. By leveraging the unique brainwave patterns of individuals, these systems offer the possibility of creating authentication solutions that are resistant to theft, hands-free, accessible, and potentially even revocable. However, despite the growing stream of research in this area, faster advance is hindered by reproducibility problems. Issues such as the lack of standard reporting schemes for performance results and system configuration, or the absence of common evaluation benchmarks, make comparability and proper assessment of different biometric solutions challenging. Further, barriers are erected to future work when, as so often, source code is not published open access. To bridge this gap, we introduce NeuroIDBench, a flexible open source tool to benchmark brainwave-based authentication models. It incorporates nine diverse datasets, implements a comprehensive set of pre-processing parameters and machine learning algorithms, enables testing under two common adversary models (known vs unknown attacker), and allows researchers to generate full performance reports and visualizations. We use NeuroIDBench to investigate the shallow classifiers and deep learning-based approaches proposed in the literature, and to test robustness across multiple sessions. We observe a 37.6% reduction in Equal Error Rate (EER) for unknown attacker scenarios (typically not tested in the literature), and we highlight the importance of session variability to brainwave authentication. All in all, our results demonstrate the viability and relevance of NeuroIDBench in streamlining fair comparisons of algorithms, thereby furthering the advancement of brainwave-based authentication through robust methodological practices.

Scenario-based testing of automated driving functions has become a promising method to reduce time and cost compared to real-world testing. In scenario-based testing automated functions are evaluated in a set of pre-defined scenarios. These scenarios provide information about vehicle behaviors, environmental conditions, or road characteristics using parameters. To create realistic scenarios, parameters and parameter dependencies have to be fitted utilizing real-world data. However, due to the large variety of intersections and movement constellations found in reality, data may not be available for certain scenarios. This paper proposes a methodology to systematically analyze relations between parameters of scenarios. Bayesian networks are utilized to analyze causal dependencies in order to decrease the amount of required data and to transfer causal patterns creating unseen scenarios. Thereby, infrastructural influences on movement patterns are investigated to generate realistic scenarios on unobserved intersections. For evaluation, scenarios and underlying parameters are extracted from the inD dataset. Movement patterns are estimated, transferred and checked against recorded data from those initially unseen intersections.

The adoption of high-density electrode systems for human-machine interfaces in real-life applications has been impeded by practical and technical challenges, including noise interference, motion artifacts and the lack of compact electrode interfaces. To overcome some of these challenges, we introduce a wearable and stretchable electromyography (EMG) array, and present its design, fabrication methodology, characterisation, and comprehensive evaluation. Our proposed solution comprises dry-electrodes on flexible printed circuit board (PCB) substrates, eliminating the need for time-consuming skin preparation. The proposed fabrication method allows the manufacturing of stretchable sleeves, with consistent and standardised coverage across subjects. We thoroughly tested our developed prototype, evaluating its potential for application in both research and real-world environments. The results of our study showed that the developed stretchable array matches or outperforms traditional EMG grids and holds promise in furthering the real-world translation of high-density EMG for human-machine interfaces.

This paper explores the application of Human-in-the-Loop (HITL) strategies in training machine learning models in the medical domain. In this case a doctor-in-the-loop approach is proposed to leverage human expertise in dealing with large and complex data. Specifically, the paper deals with the integration of genomic data and Whole Slide Imaging (WSI) analysis of breast cancer. Three different tasks were developed: segmentation of histopathological images, classification of this images regarding the genomic subtype of the cancer and, finally, interpretation of the machine learning results. The involvement of a pathologist helped us to develop a better segmentation model and to enhance the explainatory capabilities of the models, but the classification results were suboptimal, highlighting the limitations of this approach: despite involving human experts, complex domains can still pose challenges, and a HITL approach may not always be effective.

Judgment aggregation is a framework to aggregate individual opinions on multiple, logically connected issues into a collective outcome. These opinions are cast by judges, which can be for example referees, experts, advisors or jurors, depending on the application and context. It is open to manipulative attacks such as \textsc{Manipulation} where judges cast their judgments strategically. Previous works have shown that most computational problems corresponding to these manipulative attacks are \NP-hard. This desired computational barrier, however, often relies on formulas that are either of unbounded size or of complex structure. We revisit the computational complexity for various \textsc{Manipulation} and \textsc{Bribery} problems in premise-based judgment aggregation, now focusing on simple and realistic formulas. We restrict all formulas to be clauses that are (positive) monotone, Horn-clauses, or have bounded length. For basic variants of \textsc{Manipulation}, we show that these restrictions make several variants, which were in general known to be \NP-hard, polynomial-time solvable. Moreover, we provide a P vs.\ NP dichotomy for a large class of clause restrictions (generalizing monotone and Horn clauses) by showing a close relationship between variants of \textsc{Manipulation} and variants of \textsc{Satisfiability}. For Hamming distance based \textsc{Manipulation}, we show that \NP-hardness even holds for positive monotone clauses of length three, but the problem becomes polynomial-time solvable for positive monotone clauses of length two. For \textsc{Bribery}, we show that \NP-hardness even holds for positive monotone clauses of length two, but it becomes polynomial-time solvable for the same clause set if there is a constant budget.

We study the Out-of-Distribution (OOD) generalization in machine learning and propose a general framework that provides information-theoretic generalization bounds. Our framework interpolates freely between Integral Probability Metric (IPM) and $f$-divergence, which naturally recovers some known results (including Wasserstein- and KL-bounds), as well as yields new generalization bounds. Moreover, we show that our framework admits an optimal transport interpretation. When evaluated in two concrete examples, the proposed bounds either strictly improve upon existing bounds in some cases or recover the best among existing OOD generalization bounds.

Molecular design and synthesis planning are two critical steps in the process of molecular discovery that we propose to formulate as a single shared task of conditional synthetic pathway generation. We report an amortized approach to generate synthetic pathways as a Markov decision process conditioned on a target molecular embedding. This approach allows us to conduct synthesis planning in a bottom-up manner and design synthesizable molecules by decoding from optimized conditional codes, demonstrating the potential to solve both problems of design and synthesis simultaneously. The approach leverages neural networks to probabilistically model the synthetic trees, one reaction step at a time, according to reactivity rules encoded in a discrete action space of reaction templates. We train these networks on hundreds of thousands of artificial pathways generated from a pool of purchasable compounds and a list of expert-curated templates. We validate our method with (a) the recovery of molecules using conditional generation, (b) the identification of synthesizable structural analogs, and (c) the optimization of molecular structures given oracle functions relevant to drug discovery.

The notion of uncertainty is of major importance in machine learning and constitutes a key element of machine learning methodology. In line with the statistical tradition, uncertainty has long been perceived as almost synonymous with standard probability and probabilistic predictions. Yet, due to the steadily increasing relevance of machine learning for practical applications and related issues such as safety requirements, new problems and challenges have recently been identified by machine learning scholars, and these problems may call for new methodological developments. In particular, this includes the importance of distinguishing between (at least) two different types of uncertainty, often refereed to as aleatoric and epistemic. In this paper, we provide an introduction to the topic of uncertainty in machine learning as well as an overview of hitherto attempts at handling uncertainty in general and formalizing this distinction in particular.