Natural gradient methods have been used to optimise the parameters of probability distributions in a variety of settings, often resulting in fast-converging procedures. Unfortunately, for many distributions of interest, computing the natural gradient has a number of challenges. In this work we propose a novel technique for tackling such issues, which involves reframing the optimisation as one with respect to the parameters of a surrogate distribution, for which computing the natural gradient is easy. We give several examples of existing methods that can be interpreted as applying this technique, and propose a new method for applying it to a wide variety of problems. Our method expands the set of distributions that can be efficiently targeted with natural gradients. Furthermore, it is fast, easy to understand, simple to implement using standard autodiff software, and does not require lengthy model-specific derivations. We demonstrate our method on maximum likelihood estimation and variational inference tasks.

We study design of black-box model extraction attacks that can send minimal number of queries from a publicly available dataset to a target ML model through a predictive API with an aim to create an informative and distributionally equivalent replica of the target. First, we define distributionally equivalent and Max-Information model extraction attacks, and reduce them into a variational optimisation problem. The attacker sequentially solves this optimisation problem to select the most informative queries that simultaneously maximise the entropy and reduce the mismatch between the target and the stolen models. This leads to an active sampling-based query selection algorithm, Marich, which is model-oblivious. Then, we evaluate Marich on different text and image data sets, and different models, including CNNs and BERT. Marich extracts models that achieve $\sim 60-95\%$ of true model's accuracy and uses $\sim 1,000 - 8,500$ queries from the publicly available datasets, which are different from the private training datasets. Models extracted by Marich yield prediction distributions, which are $\sim 2-4\times$ closer to the target's distribution in comparison to the existing active sampling-based attacks. The extracted models also lead to $84-96\%$ accuracy under membership inference attacks. Experimental results validate that Marich is query-efficient, and capable of performing task-accurate, high-fidelity, and informative model extraction.

Many problems in machine learning rely on multi-task learning (MTL), in which the goal is to solve multiple related machine learning tasks simultaneously. MTL is particularly relevant for privacy-sensitive applications in areas such as healthcare, finance, and IoT computing, where sensitive data from multiple, varied sources are shared for the purpose of learning. In this work, we formalize notions of client-level privacy for MTL via joint differential privacy (JDP), a relaxation of differential privacy for mechanism design and distributed optimization. We then propose an algorithm for mean-regularized MTL, an objective commonly used for applications in personalized federated learning, subject to JDP. We analyze our objective and solver, providing certifiable guarantees on both privacy and utility. Empirically, we find that our method provides improved privacy/utility trade-offs relative to global baselines across common federated learning benchmarks.

Random Forest (RF) is a well-known data-driven algorithm applied in several fields thanks to its flexibility in modeling the relationship between the response variable and the predictors, also in case of strong non-linearities. In environmental applications, it often occurs that the phenomenon of interest may present spatial and/or temporal dependence that is not taken explicitly into account by RF in its standard version. In this work, we propose a taxonomy to classify strategies according to when (Pre-, In- and/or Post-processing) they try to include the spatial information into regression RF. Moreover, we provide a systematic review and classify the most recent strategies adopted to "adjust" regression RF to spatially dependent data, based on the criteria provided by the Preferred Reporting Items for Systematic reviews and Meta-Analysis (PRISMA). The latter consists of a reproducible methodology for collecting and processing existing literature on a specified topic from different sources. PRISMA starts with a query and ends with a set of scientific documents to review: we performed an online query on the 25$^{th}$ October 2022 and, in the end, 32 documents were considered for review. The employed methodological strategies and the application fields considered in the 32 scientific documents are described and discussed. This work falls inside the Agriculture Impact On Italian Air (AgrImOnIA) project.

Previous research on behaviour-based attack detection on networks of IoT devices has resulted in machine learning models whose ability to adapt to unseen data is limited, and often not demonstrated. In this paper we present an approach for modelling IoT network attacks that focuses on generalizability, yet also leads to better detection and performance. First, we present an improved rolling window approach for feature extraction, and introduce a multi-step feature selection process that reduces overfitting. Second, we build and test models using isolated train and test datasets, thereby avoiding common data leaks that have limited the generalizability of previous models. Third, we rigorously evaluate our methodology using a diverse portfolio of machine learning models, evaluation metrics and datasets. Finally, we build confidence in the models by using explainable AI techniques, allowing us to identify the features that underlie accurate detection of attacks.

Previous research has demonstrated the advantages of integrating data from multiple sources over traditional unimodal data, leading to the emergence of numerous novel multimodal applications. We propose a multimodal classification benchmark MuG with eight datasets that allows researchers to evaluate and improve their models. These datasets are collected from four various genres of games that cover tabular, textual, and visual modalities. We conduct multi-aspect data analysis to provide insights into the benchmark, including label balance ratios, percentages of missing features, distributions of data within each modality, and the correlations between labels and input modalities. We further present experimental results obtained by several state-of-the-art unimodal classifiers and multimodal classifiers, which demonstrate the challenging and multimodal-dependent properties of the benchmark. MuG is released at https://github.com/lujiaying/MUG-Bench with the data, tutorials, and implemented baselines.

Accurate prediction of Drug-Target Affinity (DTA) is of vital importance in early-stage drug discovery, facilitating the identification of drugs that can effectively interact with specific targets and regulate their activities. While wet experiments remain the most reliable method, they are time-consuming and resource-intensive, resulting in limited data availability that poses challenges for deep learning approaches. Existing methods have primarily focused on developing techniques based on the available DTA data, without adequately addressing the data scarcity issue. To overcome this challenge, we present the SSM-DTA framework, which incorporates three simple yet highly effective strategies: (1) A multi-task training approach that combines DTA prediction with masked language modeling (MLM) using paired drug-target data. (2) A semi-supervised training method that leverages large-scale unpaired molecules and proteins to enhance drug and target representations. This approach differs from previous methods that only employed molecules or proteins in pre-training. (3) The integration of a lightweight cross-attention module to improve the interaction between drugs and targets, further enhancing prediction accuracy. Through extensive experiments on benchmark datasets such as BindingDB, DAVIS, and KIBA, we demonstrate the superior performance of our framework. Additionally, we conduct case studies on specific drug-target binding activities, virtual screening experiments, drug feature visualizations, and real-world applications, all of which showcase the significant potential of our work. In conclusion, our proposed SSM-DTA framework addresses the data limitation challenge in DTA prediction and yields promising results, paving the way for more efficient and accurate drug discovery processes. Our code is available at $\href{https://github.com/QizhiPei/SSM-DTA}{Github}$.

Deep generative models have shown tremendous success in data density estimation and data generation from finite samples. While these models have shown impressive performance by learning correlations among features in the data, some fundamental shortcomings are their lack of explainability, the tendency to induce spurious correlations, and poor out-of-distribution extrapolation. In an effort to remedy such challenges, one can incorporate the theory of causality in deep generative modeling. Structural causal models (SCMs) describe data-generating processes and model complex causal relationships and mechanisms among variables in a system. Thus, SCMs can naturally be combined with deep generative models. Causal models offer several beneficial properties to deep generative models, such as distribution shift robustness, fairness, and interoperability. We provide a technical survey on causal generative modeling categorized into causal representation learning and controllable counterfactual generation methods. We focus on fundamental theory, formulations, drawbacks, datasets, metrics, and applications of causal generative models in fairness, privacy, out-of-distribution generalization, and precision medicine. We also discuss open problems and fruitful research directions for future work in the field.

Robot-assisted navigation is a perfect example of a class of applications requiring flexible control approaches. When the human is reliable, the robot should concede space to their initiative. When the human makes inappropriate choices the robot controller should kick-in guiding them towards safer paths. Shared authority control is a way to achieve this behaviour by deciding online how much of the authority should be given to the human and how much should be retained by the robot. An open problem is how to evaluate the appropriateness of the human's choices. One possible way is to consider the deviation from an ideal path computed by the robot. This choice is certainly safe and efficient, but it emphasises the importance of the robot's decision and relegates the human to a secondary role. In this paper, we propose a different paradigm: a human's behaviour is correct if, at every time, it bears a close resemblance to what other humans do in similar situations. This idea is implemented through the combination of machine learning and adaptive control. The map of the environment is decomposed into a grid. In each cell, we classify the possible motions that the human executes. We use a neural network classifier to classify the current motion, and the probability score is used as a hyperparameter in the control to vary the amount of intervention. The experiments collected for the paper show the feasibility of the idea. A qualitative evaluation, done by surveying the users after they have tested the robot, shows that the participants preferred our control method over a state-of-the-art visco-elastic control.

Large transformer models have achieved state-of-the-art results in numerous natural language processing tasks. Among the pivotal components of the transformer architecture, the attention mechanism plays a crucial role in capturing token interactions within sequences through the utilization of softmax function. Conversely, linear attention presents a more computationally efficient alternative by approximating the softmax operation with linear complexity. However, it exhibits substantial performance degradation when compared to the traditional softmax attention mechanism. In this paper, we bridge the gap in our theoretical understanding of the reasons behind the practical performance gap between softmax and linear attention. By conducting a comprehensive comparative analysis of these two attention mechanisms, we shed light on the underlying reasons for why softmax attention outperforms linear attention in most scenarios.