We study the error of linear regression in the face of adversarial attacks. In this framework, an adversary changes the input to the regression model in order to maximize the prediction error. We provide bounds on the prediction error in the presence of an adversary as a function of the parameter norm and the error in the absence of such an adversary. We show how these bounds make it possible to study the adversarial error using analysis from non-adversarial setups. The obtained results shed light on the robustness of overparameterized linear models to adversarial attacks. Adding features might be either a source of additional robustness or brittleness. On the one hand, we use asymptotic results to illustrate how double-descent curves can be obtained for the adversarial error. On the other hand, we derive conditions under which the adversarial error can grow to infinity as more features are added, while at the same time, the test error goes to zero. We show this behavior is caused by the fact that the norm of the parameter vector grows with the number of features. It is also established that $\ell_\infty$ and $\ell_2$-adversarial attacks might behave fundamentally differently due to how the $\ell_1$ and $\ell_2$-norms of random projections concentrate. We also show how our reformulation allows for solving adversarial training as a convex optimization problem. This fact is then exploited to establish similarities between adversarial training and parameter-shrinking methods and to study how the training might affect the robustness of the estimated models.

Social media is a modern person's digital voice to project and engage with new ideas and mobilise communities $\unicode{x2013}$ a power shared with extremists. Given the societal risks of unvetted content-moderating algorithms for Extremism, Radicalisation, and Hate speech (ERH) detection, responsible software engineering must understand the who, what, when, where, and why such models are necessary to protect user safety and free expression. Hence, we propose and examine the unique research field of ERH context mining to unify disjoint studies. Specifically, we evaluate the start-to-finish design process from socio-technical definition-building and dataset collection strategies to technical algorithm design and performance. Our 2015-2021 51-study Systematic Literature Review (SLR) provides the first cross-examination of textual, network, and visual approaches to detecting extremist affiliation, hateful content, and radicalisation towards groups and movements. We identify consensus-driven ERH definitions and propose solutions to existing ideological and geographic biases, particularly due to the lack of research in Oceania/Australasia. Our hybridised investigation on Natural Language Processing, Community Detection, and visual-text models demonstrates the dominating performance of textual transformer-based algorithms. We conclude with vital recommendations for ERH context mining researchers and propose an uptake roadmap with guidelines for researchers, industries, and governments to enable a safer cyberspace.

Modern approaches to supervised learning like deep neural networks (DNNs) typically implicitly assume that observed responses are statistically independent. In contrast, correlated data are prevalent in real-life large-scale applications, with typical sources of correlation including spatial, temporal and clustering structures. These correlations are either ignored by DNNs, or ad-hoc solutions are developed for specific use cases. We propose to use the mixed models framework to handle correlated data in DNNs. By treating the effects underlying the correlation structure as random effects, mixed models are able to avoid overfitted parameter estimates and ultimately yield better predictive performance. The key to combining mixed models and DNNs is using the Gaussian negative log-likelihood (NLL) as a natural loss function that is minimized with DNN machinery including stochastic gradient descent (SGD). Since NLL does not decompose like standard DNN loss functions, the use of SGD with NLL presents some theoretical and implementation challenges, which we address. Our approach which we call LMMNN is demonstrated to improve performance over natural competitors in various correlation scenarios on diverse simulated and real datasets. Our focus is on a regression setting and tabular datasets, but we also show some results for classification. Our code is available at https://github.com/gsimchoni/lmmnn.

Transfer learning for partial differential equations (PDEs) is to develop a pre-trained neural network that can be used to solve a wide class of PDEs. Existing transfer learning approaches require much information of the target PDEs such as its formulation and/or data of its solution for pre-training. In this work, we propose to construct transferable neural feature spaces from purely function approximation perspectives without using PDE information. The construction of the feature space involves re-parameterization of the hidden neurons and uses auxiliary functions to tune the resulting feature space. Theoretical analysis shows the high quality of the produced feature space, i.e., uniformly distributed neurons. Extensive numerical experiments verify the outstanding performance of our method, including significantly improved transferability, e.g., using the same feature space for various PDEs with different domains and boundary conditions, and the superior accuracy, e.g., several orders of magnitude smaller mean squared error than the state of the art methods.

The reaction center consists of atoms in the product whose local properties are not identical to the corresponding atoms in the reactants. Prior studies on reaction center identification are mainly on semi-templated retrosynthesis methods. Moreover, they are limited to single reaction center identification. However, many reaction centers are comprised of multiple bonds or atoms in reality. We refer to it as the multiple reaction center. This paper presents RCsearcher, a unified framework for single and multiple reaction center identification that combines the advantages of the graph neural network and deep reinforcement learning. The critical insight in this framework is that the single or multiple reaction center must be a node-induced subgraph of the molecular product graph. At each step, it considers choosing one node in the molecular product graph and adding it to the explored node-induced subgraph as an action. Comprehensive experiments demonstrate that RCsearcher consistently outperforms other baselines and can extrapolate the reaction center patterns that have not appeared in the training set. Ablation experiments verify the effectiveness of individual components, including the beam search and one-hop constraint of action space.

This paper focuses on the data augmentation for low-resource NLP tasks where the training set is limited. The existing solutions either leverage task-independent heuristic rules (e.g., Synonym Replacement) or fine-tune general-purpose pre-trained language models (e.g., GPT2) using the limited training instances to produce new synthetic data. Consequently, they have trivial task-specific knowledge and are limited to yielding low-quality synthetic data. To combat this issue, we propose Knowledge Mixture Data Augmentation Model (KnowDA) which is an Seq2Seq language model pre-trained on a mixture of diverse NLP tasks under a novel framework of Knowledge Mixture Training (KoMT). The goal of KoMT is to condense diverse NLP task-specific knowledge into the single KnowDA model (i.e., all-in-one) such that KnowDA could utilize these knowledge to quickly grasp the inherent synthesis law of the target task through limited training instances. Specifically, KoMT reformulates input examples from various heterogeneous NLP tasks into a unified text-to-text format, and employs denoising training objectives in different granularity to learn to reconstruct partial or complete samples. To the best of our knowledge, we are the first attempt to apply 100+ NLP multi-task training for data augmentation. Extensive experiments show that i) the synthetic data produced by KnowDA successfully improves performance of the strong pre-trained language models (i.e., Bert, ALBert and Deberta) by a large margin on the low-resource NLP benchmark FewGLUE, CoNLL'03 and WikiAnn; ii) KnowDA successfully transfers the task knowledge to NLP tasks whose types are seen and unseen in KoMT.

Small teams in the field can benefit from the capabilities provided by small Uncrewed Aerial Systems (sUAS) for missions such as reconnaissance, hostile attribution, remote emplacement, and search and rescue. The mobility, communications, and flexible payload capacity of sUAS can offer teams new levels of situational awareness and enable more highly coordinated missions than previously possible. However, piloting such aircraft for specific missions draws personnel away from other mission-critical tasks, increasing the load on remaining personnel while also increasing complexity of operations. For wider adoption and use of sUAS for security and humanitarian missions, safe and robust autonomy must be employed to reduce this burden on small teams. In this paper, we present the development of the Collaborative-UAS for Hostile Attribution, Surveillance, Emplacement, and Reconnaissance (CHASER) testbed, for rapidly prototyping capabilities that will reduce strain on small teams through sensor-guided autonomous control. We attempt to address autonomy needs unfilled by commercial sUAS platforms by creating and testing a series of composable modules that can be configured to support multiple missions. Methods implemented and presented here include radar track correlation, on-board computer vision target detection, target position estimation, closed-loop relative position control, and efficient search of a 3D volume for target acquisition. We configure and test a series of these modules in an example mission, executing a fully autonomous chase of an intruding sUAS in live flight, and demonstrating the success of the modularized autonomy approach. We present performance results from simulation or live flight tests for each module. Lastly, we describe the software architecture that we have developed for flexible controls and comment on how the capabilities presented may enable additional missions.

A key problem in network theory is how to reconfigure a graph in order to optimize a quantifiable objective. Given the ubiquity of networked systems, such work has broad practical applications in a variety of situations, ranging from drug and material design to telecommunications. The large decision space of possible reconfigurations, however, makes this problem computationally intensive. In this paper, we cast the problem of network rewiring for optimizing a specified structural property as a Markov Decision Process (MDP), in which a decision-maker is given a budget of modifications that are performed sequentially. We then propose a general approach based on the Deep Q-Network (DQN) algorithm and graph neural networks (GNNs) that can efficiently learn strategies for rewiring networks. We then discuss a cybersecurity case study, i.e., an application to the computer network reconfiguration problem for intrusion protection. In a typical scenario, an attacker might have a (partial) map of the system they plan to penetrate; if the network is effectively "scrambled", they would not be able to navigate it since their prior knowledge would become obsolete. This can be viewed as an entropy maximization problem, in which the goal is to increase the surprise of the network. Indeed, entropy acts as a proxy measurement of the difficulty of navigating the network topology. We demonstrate the general ability of the proposed method to obtain better entropy gains than random rewiring on synthetic and real-world graphs while being computationally inexpensive, as well as being able to generalize to larger graphs than those seen during training. Simulations of attack scenarios confirm the effectiveness of the learned rewiring strategies.

Network intrusion detection systems (NIDSs) play an important role in computer network security. There are several detection mechanisms where anomaly-based automated detection outperforms others significantly. Amid the sophistication and growing number of attacks, dealing with large amounts of data is a recognized issue in the development of anomaly-based NIDS. However, do current models meet the needs of today's networks in terms of required accuracy and dependability? In this research, we propose a new hybrid model that combines machine learning and deep learning to increase detection rates while securing dependability. Our proposed method ensures efficient pre-processing by combining SMOTE for data balancing and XGBoost for feature selection. We compared our developed method to various machine learning and deep learning algorithms to find a more efficient algorithm to implement in the pipeline. Furthermore, we chose the most effective model for network intrusion based on a set of benchmarked performance analysis criteria. Our method produces excellent results when tested on two datasets, KDDCUP'99 and CIC-MalMem-2022, with an accuracy of 99.99% and 100% for KDDCUP'99 and CIC-MalMem-2022, respectively, and no overfitting or Type-1 and Type-2 issues.

As research and practice in artificial intelligence (A.I.) grow in leaps and bounds, the resources necessary to sustain and support their operations also grow at an increasing pace. While innovations and applications from A.I. have brought significant advances, from applications to vision and natural language to improvements to fields like medical imaging and materials engineering, their costs should not be neglected. As we embrace a world with ever-increasing amounts of data as well as research and development of A.I. applications, we are sure to face an ever-mounting energy footprint to sustain these computational budgets, data storage needs, and more. But, is this sustainable and, more importantly, what kind of setting is best positioned to nurture such sustainable A.I. in both research and practice? In this paper, we outline our outlook for Green A.I. -- a more sustainable, energy-efficient and energy-aware ecosystem for developing A.I. across the research, computing, and practitioner communities alike -- and the steps required to arrive there. We present a bird's eye view of various areas for potential changes and improvements from the ground floor of AI's operational and hardware optimizations for datacenters/HPCs to the current incentive structures in the world of A.I. research and practice, and more. We hope these points will spur further discussion, and action, on some of these issues and their potential solutions.