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The ability to replicate predictions by machine learning (ML) or artificial intelligence (AI) models and results in scientific workflows that incorporate such ML/AI predictions is driven by numerous factors. An uncertainty-aware metric that can quantitatively assess the reproducibility of quantities of interest (QoI) would contribute to the trustworthiness of results obtained from scientific workflows involving ML/AI models. In this article, we discuss how uncertainty quantification (UQ) in a Bayesian paradigm can provide a general and rigorous framework for quantifying reproducibility for complex scientific workflows. Such as framework has the potential to fill a critical gap that currently exists in ML/AI for scientific workflows, as it will enable researchers to determine the impact of ML/AI model prediction variability on the predictive outcomes of ML/AI-powered workflows. We expect that the envisioned framework will contribute to the design of more reproducible and trustworthy workflows for diverse scientific applications, and ultimately, accelerate scientific discoveries.

Despite the promising results of machine learning models in malware detection, they face the problem of concept drift due to malware constant evolution. This leads to a decline in performance over time, as the data distribution of the new files differs from the training one, requiring regular model update. In this work, we propose a model-agnostic protocol to improve a baseline neural network to handle with the drift problem. We show the importance of feature reduction and training with the most recent validation set possible, and propose a loss function named Drift-Resilient Binary Cross-Entropy, an improvement to the classical Binary Cross-Entropy more effective against drift. We train our model on the EMBER dataset (2018) and evaluate it on a dataset of recent malicious files, collected between 2020 and 2023. Our improved model shows promising results, detecting 15.2% more malware than a baseline model.

Neuro-symbolic hybrid systems are promising for integrating machine learning and symbolic reasoning, where perception models are facilitated with information inferred from a symbolic knowledge base through logical reasoning. Despite empirical evidence showing the ability of hybrid systems to learn accurate perception models, the theoretical understanding of learnability is still lacking. Hence, it remains unclear why a hybrid system succeeds for a specific task and when it may fail given a different knowledge base. In this paper, we introduce a novel way of characterising supervision signals from a knowledge base, and establish a criterion for determining the knowledge's efficacy in facilitating successful learning. This, for the first time, allows us to address the two questions above by inspecting the knowledge base under investigation. Our analysis suggests that many knowledge bases satisfy the criterion, thus enabling effective learning, while some fail to satisfy it, indicating potential failures. Comprehensive experiments confirm the utility of our criterion on benchmark tasks.

Federated Learning (FL) is a distributed machine learning technique that allows model training among multiple devices or organizations without sharing data. However, while FL ensures that the raw data is not directly accessible to external adversaries, adversaries can still obtain some statistical information about the data through differential attacks. Differential Privacy (DP) has been proposed, which adds noise to the model or gradients to prevent adversaries from inferring private information from the transmitted parameters. We reconsider the framework of differential privacy federated learning in resource-constrained scenarios (privacy budget and communication resources). We analyze the convergence of federated learning with differential privacy (DPFL) on resource-constrained scenarios and propose an Adaptive Local Steps Differential Privacy Federated Learning (ALS-DPFL) algorithm. We experiment our algorithm on the FashionMNIST and Cifar-10 datasets and achieve quite good performance relative to previous work.

Machine learning has proven to be a useful tool for automated malware detection, but machine learning models have also been shown to be vulnerable to adversarial attacks. This article addresses the problem of generating adversarial malware samples, specifically malicious Windows Portable Executable files. We summarize and compare work that has focused on adversarial machine learning for malware detection. We use gradient-based, evolutionary algorithm-based, and reinforcement-based methods to generate adversarial samples, and then test the generated samples against selected antivirus products. We compare the selected methods in terms of accuracy and practical applicability. The results show that applying optimized modifications to previously detected malware can lead to incorrect classification of the file as benign. It is also known that generated malware samples can be successfully used against detection models other than those used to generate them and that using combinations of generators can create new samples that evade detection. Experiments show that the Gym-malware generator, which uses a reinforcement learning approach, has the greatest practical potential. This generator achieved an average sample generation time of 5.73 seconds and the highest average evasion rate of 44.11%. Using the Gym-malware generator in combination with itself improved the evasion rate to 58.35%.

Federated learning (FL) is a distributed machine learning (ML) framework where multiple clients collaborate to train a model without exposing their private data. FL involves cycles of local computations and bi-directional communications between the clients and server. To bolster data security during this process, FL algorithms frequently employ a differential privacy (DP) mechanism that introduces noise into each client's model updates before sharing. However, while enhancing privacy, the DP mechanism often hampers convergence performance. In this paper, we posit that an optimal balance exists between the number of local steps and communication rounds, one that maximizes the convergence performance within a given privacy budget. Specifically, we present a proof for the optimal number of local steps and communication rounds that enhance the convergence bounds of the DP version of the ScaffNew algorithm. Our findings reveal a direct correlation between the optimal number of local steps, communication rounds, and a set of variables, e.g the DP privacy budget and other problem parameters, specifically in the context of strongly convex optimization. We furthermore provide empirical evidence to validate our theoretical findings.

Developing and testing automated driving models in the real world might be challenging and even dangerous, while simulation can help with this, especially for challenging maneuvers. Deep reinforcement learning (DRL) has the potential to tackle complex decision-making and controlling tasks through learning and interacting with the environment, thus it is suitable for developing automated driving while not being explored in detail yet. This study carried out a comprehensive study by implementing, evaluating, and comparing the two DRL algorithms, Deep Q-networks (DQN) and Trust Region Policy Optimization (TRPO), for training automated driving on the highway-env simulation platform. Effective and customized reward functions were developed and the implemented algorithms were evaluated in terms of onlane accuracy (how well the car drives on the road within the lane), efficiency (how fast the car drives), safety (how likely the car is to crash into obstacles), and comfort (how much the car makes jerks, e.g., suddenly accelerates or brakes). Results show that the TRPO-based models with modified reward functions delivered the best performance in most cases. Furthermore, to train a uniform driving model that can tackle various driving maneuvers besides the specific ones, this study expanded the highway-env and developed an extra customized training environment, namely, ComplexRoads, integrating various driving maneuvers and multiple road scenarios together. Models trained on the designed ComplexRoads environment can adapt well to other driving maneuvers with promising overall performance. Lastly, several functionalities were added to the highway-env to implement this work. The codes are open on GitHub at //github.com/alaineman/drlcarsim-paper.

Federated learning (FL) is a distributed machine learning paradigm that needs collaboration between a server and a series of clients with decentralized data. To make FL effective in real-world applications, existing work devotes to improving the modeling of decentralized data with non-independent and identical distributions (non-IID). In non-IID settings, there are intra-client inconsistency that comes from the imbalanced data modeling, and inter-client inconsistency among heterogeneous client distributions, which not only hinders sufficient representation of the minority data, but also brings discrepant model deviations. However, previous work overlooks to tackle the above two coupling inconsistencies together. In this work, we propose FedRANE, which consists of two main modules, i.e., local relational augmentation (LRA) and global Nash equilibrium (GNE), to resolve intra- and inter-client inconsistency simultaneously. Specifically, in each client, LRA mines the similarity relations among different data samples and enhances the minority sample representations with their neighbors using attentive message passing. In server, GNE reaches an agreement among inconsistent and discrepant model deviations from clients to server, which encourages the global model to update in the direction of global optimum without breaking down the clients optimization toward their local optimums. We conduct extensive experiments on four benchmark datasets to show the superiority of FedRANE in enhancing the performance of FL with non-IID data.

While existing machine learning models have achieved great success for sentiment classification, they typically do not explicitly capture sentiment-oriented word interaction, which can lead to poor results for fine-grained analysis at the snippet level (a phrase or sentence). Factorization Machine provides a possible approach to learning element-wise interaction for recommender systems, but they are not directly applicable to our task due to the inability to model contexts and word sequences. In this work, we develop two Position-aware Factorization Machines which consider word interaction, context and position information. Such information is jointly encoded in a set of sentiment-oriented word interaction vectors. Compared to traditional word embeddings, SWI vectors explicitly capture sentiment-oriented word interaction and simplify the parameter learning. Experimental results show that while they have comparable performance with state-of-the-art methods for document-level classification, they benefit the snippet/sentence-level sentiment analysis.