This paper presents a general framework to integrate prior knowledge in the form of logic constraints among a set of task functions into kernel machines. The logic propositions provide a partial representation of the environment, in which the learner operates, that is exploited by the learning algorithm together with the information available in the supervised examples. In particular, we consider a multi-task learning scheme, where multiple unary predicates on the feature space are to be learned by kernel machines and a higher level abstract representation consists of logic clauses on these predicates, known to hold for any input. A general approach is presented to convert the logic clauses into a continuous implementation, that processes the outputs computed by the kernel-based predicates. The learning task is formulated as a primal optimization problem of a loss function that combines a term measuring the fitting of the supervised examples, a regularization term, and a penalty term that enforces the constraints on both supervised and unsupervised examples. The proposed semi-supervised learning framework is particularly suited for learning in high dimensionality feature spaces, where the supervised training examples tend to be sparse and generalization difficult. Unlike for standard kernel machines, the cost function to optimize is not generally guaranteed to be convex. However, the experimental results show that it is still possible to find good solutions using a two stage learning schema, in which first the supervised examples are learned until convergence and then the logic constraints are forced. Some promising experimental results on artificial multi-task learning tasks are reported, showing how the classification accuracy can be effectively improved by exploiting the a priori rules and the unsupervised examples.

Self-distillation (SD) is the process of training a student model using the outputs of a teacher model, with both models sharing the same architecture. Our study theoretically examines SD in multi-class classification with cross-entropy loss, exploring both multi-round SD and SD with refined teacher outputs, inspired by partial label learning (PLL). By deriving a closed-form solution for the student model's outputs, we discover that SD essentially functions as label averaging among instances with high feature correlations. Initially beneficial, this averaging helps the model focus on feature clusters correlated with a given instance for predicting the label. However, it leads to diminishing performance with increasing distillation rounds. Additionally, we demonstrate SD's effectiveness in label noise scenarios and identify the label corruption condition and minimum number of distillation rounds needed to achieve 100% classification accuracy. Our study also reveals that one-step distillation with refined teacher outputs surpasses the efficacy of multi-step SD using the teacher's direct output in high noise rate regimes.

Global ambient air pollution, a transboundary challenge, is typically addressed through interventions relying on data from spatially sparse and heterogeneously placed monitoring stations. These stations often encounter temporal data gaps due to issues such as power outages. In response, we have developed a scalable, data-driven, supervised machine learning framework. This model is designed to impute missing temporal and spatial measurements, thereby generating a comprehensive dataset for pollutants including NO$_2$, O$_3$, PM$_{10}$, PM$_{2.5}$, and SO$_2$. The dataset, with a fine granularity of 0.25$^{\circ}$ at hourly intervals and accompanied by prediction intervals for each estimate, caters to a wide range of stakeholders relying on outdoor air pollution data for downstream assessments. This enables more detailed studies. Additionally, the model's performance across various geographical locations is examined, providing insights and recommendations for strategic placement of future monitoring stations to further enhance the model's accuracy.

Network Intrusion Detection Systems (NIDS) are a fundamental tool in cybersecurity. Their ability to generalize across diverse networks is a critical factor in their effectiveness and a prerequisite for real-world applications. In this study, we conduct a comprehensive analysis on the generalization of machine-learning-based NIDS through an extensive experimentation in a cross-dataset framework. We employ four machine learning classifiers and utilize four datasets acquired from different networks: CIC-IDS-2017, CSE-CIC-IDS2018, LycoS-IDS2017, and LycoS-Unicas-IDS2018. Notably, the last dataset is a novel contribution, where we apply corrections based on LycoS-IDS2017 to the well-known CSE-CIC-IDS2018 dataset. The results show nearly perfect classification performance when the models are trained and tested on the same dataset. However, when training and testing the models in a cross-dataset fashion, the classification accuracy is largely commensurate with random chance except for a few combinations of attacks and datasets. We employ data visualization techniques in order to provide valuable insights on the patterns in the data. Our analysis unveils the presence of anomalies in the data that directly hinder the classifiers capability to generalize the learned knowledge to new scenarios. This study enhances our comprehension of the generalization capabilities of machine-learning-based NIDS, highlighting the significance of acknowledging data heterogeneity.

The face expression is the first thing we pay attention to when we want to understand a person's state of mind. Thus, the ability to recognize facial expressions in an automatic way is a very interesting research field. In this paper, because the small size of available training datasets, we propose a novel data augmentation technique that improves the performances in the recognition task. We apply geometrical transformations and build from scratch GAN models able to generate new synthetic images for each emotion type. To measure the generalization ability of the models, we apply extra-database protocol approach, namely we train models on the augmented versions of training dataset and test them on two different databases. The combination of these techniques allows to reach average accuracy values of the order of 85% for the InceptionResNetV2 model. NTRODUCTION The ability to build intelligent systems that accurately recognize the emotions felt by a person is an open challenge of Artificial Intelligence and undoubtedly represents one of the points of contact between the human and machine spheres. Since the face expression is the first thing we pay attention to when we want to understand a person's state of mind, facial expression analysis represents the first step in researching and building a human emotion classifier. In the facial expression recognition (FER) task, it is believed that there are six basic universal expressions, namely fear, sad, angry, disgust, surprise and happy [1].

Current generative models for drug discovery primarily use molecular docking to evaluate the quality of generated compounds. However, such models are often not useful in practice because even compounds with high docking scores do not consistently show experimental activity. More accurate methods for activity prediction exist, such as molecular dynamics based binding free energy calculations, but they are too computationally expensive to use in a generative model. We propose a multi-fidelity approach, Multi-Fidelity Bind (MFBind), to achieve the optimal trade-off between accuracy and computational cost. MFBind integrates docking and binding free energy simulators to train a multi-fidelity deep surrogate model with active learning. Our deep surrogate model utilizes a pretraining technique and linear prediction heads to efficiently fit small amounts of high-fidelity data. We perform extensive experiments and show that MFBind (1) outperforms other state-of-the-art single and multi-fidelity baselines in surrogate modeling, and (2) boosts the performance of generative models with markedly higher quality compounds.

In-context learning has emerged as a groundbreaking ability of Large Language Models (LLMs) and revolutionized various fields by providing a few task-relevant demonstrations in the prompt. However, trustworthy issues with LLM's response, such as hallucination, have also been actively discussed. Existing works have been devoted to quantifying the uncertainty in LLM's response, but they often overlook the complex nature of LLMs and the uniqueness of in-context learning. In this work, we delve into the predictive uncertainty of LLMs associated with in-context learning, highlighting that such uncertainties may stem from both the provided demonstrations (aleatoric uncertainty) and ambiguities tied to the model's configurations (epistemic uncertainty). We propose a novel formulation and corresponding estimation method to quantify both types of uncertainties. The proposed method offers an unsupervised way to understand the prediction of in-context learning in a plug-and-play fashion. Extensive experiments are conducted to demonstrate the effectiveness of the decomposition. The code and data are available at: \url{https://github.com/lingchen0331/UQ_ICL}.

We study the per-datum Membership Inference Attacks (MIAs), where an attacker aims to infer whether a fixed target datum has been included in the input dataset of an algorithm and thus, violates privacy. First, we define the membership leakage of a datum as the advantage of the optimal adversary targeting to identify it. Then, we quantify the per-datum membership leakage for the empirical mean, and show that it depends on the Mahalanobis distance between the target datum and the data-generating distribution. We further assess the effect of two privacy defences, i.e. adding Gaussian noise and sub-sampling. We quantify exactly how both of them decrease the per-datum membership leakage. Our analysis builds on a novel proof technique that combines an Edgeworth expansion of the likelihood ratio test and a Lindeberg-Feller central limit theorem. Our analysis connects the existing likelihood ratio and scalar product attacks, and also justifies different canary selection strategies used in the privacy auditing literature. Finally, our experiments demonstrate the impacts of the leakage score, the sub-sampling ratio and the noise scale on the per-datum membership leakage as indicated by the theory.

While myoelectric control has recently become a focus of increased research as a possible flexible hands-free input modality, current control approaches are prone to inadvertent false activations in real-world conditions. In this work, a novel myoelectric control paradigm -- on-demand myoelectric control -- is proposed, designed, and evaluated, to reduce the number of unrelated muscle movements that are incorrectly interpreted as input gestures . By leveraging the concept of wake gestures, users were able to switch between a dedicated control mode and a sleep mode, effectively eliminating inadvertent activations during activities of daily living (ADLs). The feasibility of wake gestures was demonstrated in this work through two online ubiquitous EMG control tasks with varying difficulty levels; dismissing an alarm and controlling a robot. The proposed control scheme was able to appropriately ignore almost all non-targeted muscular inputs during ADLs (>99.9%) while maintaining sufficient sensitivity for reliable mode switching during intentional wake gesture elicitation. These results highlight the potential of wake gestures as a critical step towards enabling ubiquitous myoelectric control-based on-demand input for a wide range of applications.

Various methods for designing input features have been proposed for fault recognition in rotating machines using one-dimensional raw sensor data. The available methods are complex, rely on empirical approaches, and may differ depending on the condition monitoring data used. Therefore, this article proposes a novel algorithm to design input features that unifies the feature extraction process for different time-series sensor data. This new insight for designing/extracting input features is obtained through the lens of histogram theory. The proposed algorithm extracts discriminative input features, which are suitable for a simple classifier to deep neural network-based classifiers. The designed input features are given as input to the classifier with end-to-end training in a single framework for machine conditions recognition. The proposed scheme has been validated through three real-time datasets: a) acoustic dataset, b) CWRU vibration dataset, and c) IMS vibration dataset. The real-time results and comparative study show the effectiveness of the proposed scheme for the prediction of the machine's health states.