PELICAN is a novel permutation equivariant and Lorentz invariant or covariant aggregator network designed to overcome common limitations found in architectures applied to particle physics problems. Compared to many approaches that use non-specialized architectures that neglect underlying physics principles and require very large numbers of parameters, PELICAN employs a fundamentally symmetry group-based architecture that demonstrates benefits in terms of reduced complexity, increased interpretability, and raw performance. We present a comprehensive study of the PELICAN algorithm architecture in the context of both tagging (classification) and reconstructing (regression) Lorentz-boosted top quarks, including the difficult task of specifically identifying and measuring the $W$-boson inside the dense environment of the Lorentz-boosted top-quark hadronic final state. We also extend the application of PELICAN to the tasks of identifying quark-initiated vs.~gluon-initiated jets, and a multi-class identification across five separate target categories of jets. When tested on the standard task of Lorentz-boosted top-quark tagging, PELICAN outperforms existing competitors with much lower model complexity and high sample efficiency. On the less common and more complex task of 4-momentum regression, PELICAN also outperforms hand-crafted, non-machine learning algorithms. We discuss the implications of symmetry-restricted architectures for the wider field of machine learning for physics.

In critical machine learning applications, ensuring fairness is essential to avoid perpetuating social inequities. In this work, we address the challenges of reducing bias and improving accuracy in data-scarce environments, where the cost of collecting labeled data prohibits the use of large, labeled datasets. In such settings, active learning promises to maximize marginal accuracy gains of small amounts of labeled data. However, existing applications of active learning for fairness fail to deliver on this, typically requiring large labeled datasets, or failing to ensure the desired fairness tolerance is met on the population distribution. To address such limitations, we introduce an innovative active learning framework that combines an exploration procedure inspired by posterior sampling with a fair classification subroutine. We demonstrate that this framework performs effectively in very data-scarce regimes, maximizing accuracy while satisfying fairness constraints with high probability. We evaluate our proposed approach using well-established real-world benchmark datasets and compare it against state-of-the-art methods, demonstrating its effectiveness in producing fair models, and improvement over existing methods.

This research report presents a proof-of-concept study on the application of machine learning techniques to video and speech data collected during diagnostic cognitive assessments of children with a neurodevelopmental disorder. The study utilised a dataset of 39 video recordings, capturing extensive sessions where clinicians administered, among other things, four cognitive assessment tests. From the first 40 minutes of each clinical session, covering the administration of the Wechsler Intelligence Scale for Children (WISC-V), we extracted head positions and speech turns of both clinician and child. Despite the limited sample size and heterogeneous recording styles, the analysis successfully extracted path signatures as features from the recorded data, focusing on patient-clinician interactions. Importantly, these features quantify the interpersonal dynamics of the assessment process (dialogue and movement patterns). Results suggest that these features exhibit promising potential for predicting all cognitive tests scores of the entire session length and for prototyping a predictive model as a clinical decision support tool. Overall, this proof of concept demonstrates the feasibility of leveraging machine learning techniques for clinical video and speech data analysis in order to potentially enhance the efficiency of cognitive assessments for neurodevelopmental disorders in children.

Abstract--Due to the increasing sophistication of web attacks, Web Application Firewalls (WAFs) have to be tested and updated regularly to resist the relentless flow of web attacks. In practice, using a brute-force attack to discover vulnerabilities is infeasible due to the wide variety of attack patterns. Thus, various black-box testing techniques have been proposed in the literature. However, these techniques suffer from low efficiency. This paper presents Reinforcement-Learning-Driven and Adaptive Testing (RAT), an automated black-box testing strategy to discover injection vulnerabilities in WAFs. In particular, we focus on SQL injection and Cross-site Scripting, which have been among the top ten vulnerabilities over the past decade. It then utilizes a reinforcement learning technique combined with a novel adaptive search algorithm to discover almost all bypassing attack patterns efficiently. We compare RAT with three state-of-the-art methods considering their objectives. The experiments show that RAT performs 33.53% and 63.16% on average better than its counterparts in discovering the most possible bypassing payloads and reducing the number of attempts before finding the first bypassing payload when testing well-configured WAFs, respectively. Thus, an enormous amount of private data of individuals and organizations is stored in web applications databases, making them tempting targets for attackers. A recent report reveals that web applications may experience up to 26 attacks per minute [1]. Moreover, according to Symantec's security report, 76% of websites are vulnerable to several attacks [2].

Recent works have studied implicit biases in deep learning, especially the behavior of last-layer features and classifier weights. However, they usually need to simplify the intermediate dynamics under gradient flow or gradient descent due to the intractability of loss functions and model architectures. In this paper, we introduce the unhinged loss, a concise loss function, that offers more mathematical opportunities to analyze the closed-form dynamics while requiring as few simplifications or assumptions as possible. The unhinged loss allows for considering more practical techniques, such as time-vary learning rates and feature normalization. Based on the layer-peeled model that views last-layer features as free optimization variables, we conduct a thorough analysis in the unconstrained, regularized, and spherical constrained cases, as well as the case where the neural tangent kernel remains invariant. To bridge the performance of the unhinged loss to that of Cross-Entropy (CE), we investigate the scenario of fixing classifier weights with a specific structure, (e.g., a simplex equiangular tight frame). Our analysis shows that these dynamics converge exponentially fast to a solution depending on the initialization of features and classifier weights. These theoretical results not only offer valuable insights, including explicit feature regularization and rescaled learning rates for enhancing practical training with the unhinged loss, but also extend their applicability to other loss functions. Finally, we empirically demonstrate these theoretical results and insights through extensive experiments.

Injury to the cervical spinal cord can cause quadriplegia, impairing muscle function in all four limbs. People with impaired hand function and mobility encounter significant difficulties in carrying out essential self-care and household tasks. Despite the impairment of their neural drive, their volitional myoelectric activity is often partially preserved. High-density electromyography (HDEMG) can detect this myoelectric activity, which can serve as control inputs to assistive devices. Previous HDEMG-controlled robotic interfaces have primarily been limited to controlling table-mounted robot arms. These have constrained reach capabilities. Instead, the ability to control mobile manipulators, which have no such workspace constraints, could allow individuals with quadriplegia to perform a greater variety of assistive tasks, thus restoring independence and reducing caregiver workload. In this study, we introduce a non-invasive wearable HDEMG interface with real-time myoelectric hand gesture recognition, enabling both coarse and fine control over the intricate mobility and manipulation functionalities of an 8 degree-of-freedom mobile manipulator. Our evaluation, involving 13 participants engaging in challenging self-care and household activities, demonstrates the potential of our wearable HDEMG system to profoundly enhance user independence by enabling non-invasive control of a mobile manipulator.

Robots are becoming increasingly popular in a wide range of environments due to their exceptional work capacity, precision, efficiency, and scalability. This development has been further encouraged by advances in Artificial Intelligence, particularly Machine Learning. By employing sophisticated neural networks, robots are given the ability to detect and interact with objects in their vicinity. However, a significant drawback arises from the underlying dependency on extensive datasets and the availability of substantial amounts of training data for these object detection models. This issue becomes particularly problematic when the specific deployment location of the robot and the surroundings, are not known in advance. The vast and ever-expanding array of objects makes it virtually impossible to comprehensively cover the entire spectrum of existing objects using preexisting datasets alone. The goal of this dissertation was to teach a robot unknown objects in the context of Human-Robot Interaction (HRI) in order to liberate it from its data dependency, unleashing it from predefined scenarios. In this context, the combination of eye tracking and Augmented Reality created a powerful synergy that empowered the human teacher to communicate with the robot and effortlessly point out objects by means of human gaze. This holistic approach led to the development of a multimodal HRI system that enabled the robot to identify and visually segment the Objects of Interest in 3D space. Through the class information provided by the human, the robot was able to learn the objects and redetect them at a later stage. Due to the knowledge gained from this HRI based teaching, the robot's object detection capabilities exhibited comparable performance to state-of-the-art object detectors trained on extensive datasets, without being restricted to predefined classes, showcasing its versatility and adaptability.

In this study, we present a novel computational method for generating molecular fingerprints using multiparameter persistent homology (MPPH). This technique holds considerable significance for drug discovery and materials science, where precise molecular property prediction is vital. By integrating SE(3)-invariance with Vietoris-Rips persistent homology, we effectively capture the three-dimensional representations of molecular chirality. This non-superimposable mirror image property directly influences the molecular interactions, serving as an essential factor in molecular property prediction. We explore the underlying topologies and patterns in molecular structures by applying Vietoris-Rips persistent homology across varying scales and parameters such as atomic weight, partial charge, bond type, and chirality. Our method's efficacy can be improved by incorporating additional parameters such as aromaticity, orbital hybridization, bond polarity, conjugated systems, as well as bond and torsion angles. Additionally, we leverage Stochastic Gradient Langevin Boosting in a Bayesian ensemble of GBDTs to obtain aleatoric and epistemic uncertainty estimates for gradient boosting models. With these uncertainty estimates, we prioritize high-uncertainty samples for active learning and model fine-tuning, benefiting scenarios where data labeling is costly or time consuming. Compared to conventional GNNs which usually suffer from oversmoothing and oversquashing, MPPH provides a more comprehensive and interpretable characterization of molecular data topology. We substantiate our approach with theoretical stability guarantees and demonstrate its superior performance over existing state-of-the-art methods in predicting molecular properties through extensive evaluations on the MoleculeNet benchmark datasets.

In the face of growing vulnerabilities found in open-source software, the need to identify {discreet} security patches has become paramount. The lack of consistency in how software providers handle maintenance often leads to the release of security patches without comprehensive advisories, leaving users vulnerable to unaddressed security risks. To address this pressing issue, we introduce a novel security patch detection system, LLMDA, which capitalizes on Large Language Models (LLMs) and code-text alignment methodologies for patch review, data enhancement, and feature combination. Within LLMDA, we initially utilize LLMs for examining patches and expanding data of PatchDB and SPI-DB, two security patch datasets from recent literature. We then use labeled instructions to direct our LLMDA, differentiating patches based on security relevance. Following this, we apply a PTFormer to merge patches with code, formulating hybrid attributes that encompass both the innate details and the interconnections between the patches and the code. This distinctive combination method allows our system to capture more insights from the combined context of patches and code, hence improving detection precision. Finally, we devise a probabilistic batch contrastive learning mechanism within batches to augment the capability of the our LLMDA in discerning security patches. The results reveal that LLMDA significantly surpasses the start of the art techniques in detecting security patches, underscoring its promise in fortifying software maintenance.

Given a pre-trained classifier and multiple human experts, we investigate the task of online classification where model predictions are provided for free but querying humans incurs a cost. In this practical but under-explored setting, oracle ground truth is not available. Instead, the prediction target is defined as the consensus vote of all experts. Given that querying full consensus can be costly, we propose a general framework for online Bayesian consensus estimation, leveraging properties of the multivariate hypergeometric distribution. Based on this framework, we propose a family of methods that dynamically estimate expert consensus from partial feedback by producing a posterior over expert and model beliefs. Analyzing this posterior induces an interpretable trade-off between querying cost and classification performance. We demonstrate the efficacy of our framework against a variety of baselines on CIFAR-10H and ImageNet-16H, two large-scale crowdsourced datasets.