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Complex models are often used to understand interactions and drivers of human-induced and/or natural phenomena. It is worth identifying the input variables that drive the model output(s) in a given domain and/or govern specific model behaviors such as contextual indicators based on socio-environmental models. Using the theory of multivariate weighted distributions to characterize specific model behaviors, we propose new measures of association between inputs and such behaviors. Our measures rely on sensitivity functionals (SFs) and kernel methods, including variance-based sensitivity analysis. The proposed $\ell_1$-based kernel indices account for interactions among inputs, higher-order moments of SFs, and their upper bounds are somehow equivalent to the Morris-type screening measures, including dependent elementary effects. Empirical kernel-based indices are derived, including their statistical properties for the computational issues, and numerical results are provided.

Functionality is a graph complexity measure that extends a variety of parameters, such as vertex degree, degeneracy, clique-width, or twin-width. In the present paper, we show that functionality is bounded for box intersection graphs in $\mathbb{R}^1$, i.e. for interval graphs, and unbounded for box intersection graphs in $\mathbb{R}^3$. We also study a parameter known as symmetric difference, which is intermediate between twin-width and functionality, and show that this parameter is unbounded both for interval graphs and for unit box intersection graphs in $\mathbb{R}^2$.

Quantum computing has recently emerged as a transformative technology. Yet, its promised advantages rely on efficiently translating quantum operations into viable physical realizations. In this work, we use generative machine learning models, specifically denoising diffusion models (DMs), to facilitate this transformation. Leveraging text-conditioning, we steer the model to produce desired quantum operations within gate-based quantum circuits. Notably, DMs allow to sidestep during training the exponential overhead inherent in the classical simulation of quantum dynamics -- a consistent bottleneck in preceding ML techniques. We demonstrate the model's capabilities across two tasks: entanglement generation and unitary compilation. The model excels at generating new circuits and supports typical DM extensions such as masking and editing to, for instance, align the circuit generation to the constraints of the targeted quantum device. Given their flexibility and generalization abilities, we envision DMs as pivotal in quantum circuit synthesis, enhancing both practical applications but also insights into theoretical quantum computation.

In this work, we propose a global model selection criterion to estimate the graph of conditional dependencies of a random vector based on a finite sample. By global criterion, we mean optimizing a function over the entire set of possible graphs, eliminating the need to estimate the individual neighborhoods and subsequently combine them to estimate the graph. We prove the almost sure convergence of the graph estimator. This convergence holds provided the data is a realization of a multivariate stochastic process that satisfies a mixing condition. To the best of our knowledge, these are the first results to show the consistency of a model selection criterion for Markov random fields on graphs under non-independent data.

Purpose: To provide a simulation framework for routine neuroimaging test data, which allows for "stress testing" of deep segmentation networks against acquisition shifts that commonly occur in clinical practice for T2 weighted (T2w) fluid attenuated inversion recovery (FLAIR) Magnetic Resonance Imaging (MRI) protocols. Approach: The approach simulates "acquisition shift derivatives" of MR images based on MR signal equations. Experiments comprise the validation of the simulated images by real MR scans and example stress tests on state-of-the-art MS lesion segmentation networks to explore a generic model function to describe the F1 score in dependence of the contrast-affecting sequence parameters echo time (TE) and inversion time (TI). Results: The differences between real and simulated images range up to 19 % in gray and white matter for extreme parameter settings. For the segmentation networks under test the F1 score dependency on TE and TI can be well described by quadratic model functions (R^2 > 0.9). The coefficients of the model functions indicate that changes of TE have more influence on the model performance than TI. Conclusions: We show that these deviations are in the range of values as may be caused by erroneous or individual differences of relaxation times as described by literature. The coefficients of the F1 model function allow for quantitative comparison of the influences of TE and TI. Limitations arise mainly from tissues with the low baseline signal (like CSF) and when the protocol contains contrast-affecting measures that cannot be modelled due to missing information in the DICOM header.

The UK COVID-19 Vocal Audio Dataset is designed for the training and evaluation of machine learning models that classify SARS-CoV-2 infection status or associated respiratory symptoms using vocal audio. The UK Health Security Agency recruited voluntary participants through the national Test and Trace programme and the REACT-1 survey in England from March 2021 to March 2022, during dominant transmission of the Alpha and Delta SARS-CoV-2 variants and some Omicron variant sublineages. Audio recordings of volitional coughs, exhalations, and speech were collected in the 'Speak up to help beat coronavirus' digital survey alongside demographic, self-reported symptom and respiratory condition data, and linked to SARS-CoV-2 test results. The UK COVID-19 Vocal Audio Dataset represents the largest collection of SARS-CoV-2 PCR-referenced audio recordings to date. PCR results were linked to 70,794 of 72,999 participants and 24,155 of 25,776 positive cases. Respiratory symptoms were reported by 45.62% of participants. This dataset has additional potential uses for bioacoustics research, with 11.30% participants reporting asthma, and 27.20% with linked influenza PCR test results.

To improve the predictability of complex computational models in the experimentally-unknown domains, we propose a Bayesian statistical machine learning framework utilizing the Dirichlet distribution that combines results of several imperfect models. This framework can be viewed as an extension of Bayesian stacking. To illustrate the method, we study the ability of Bayesian model averaging and mixing techniques to mine nuclear masses. We show that the global and local mixtures of models reach excellent performance on both prediction accuracy and uncertainty quantification and are preferable to classical Bayesian model averaging. Additionally, our statistical analysis indicates that improving model predictions through mixing rather than mixing of corrected models leads to more robust extrapolations.

With the urgent demand for generalized deep models, many pre-trained big models are proposed, such as BERT, ViT, GPT, etc. Inspired by the success of these models in single domains (like computer vision and natural language processing), the multi-modal pre-trained big models have also drawn more and more attention in recent years. In this work, we give a comprehensive survey of these models and hope this paper could provide new insights and helps fresh researchers to track the most cutting-edge works. Specifically, we firstly introduce the background of multi-modal pre-training by reviewing the conventional deep learning, pre-training works in natural language process, computer vision, and speech. Then, we introduce the task definition, key challenges, and advantages of multi-modal pre-training models (MM-PTMs), and discuss the MM-PTMs with a focus on data, objectives, network architectures, and knowledge enhanced pre-training. After that, we introduce the downstream tasks used for the validation of large-scale MM-PTMs, including generative, classification, and regression tasks. We also give visualization and analysis of the model parameters and results on representative downstream tasks. Finally, we point out possible research directions for this topic that may benefit future works. In addition, we maintain a continuously updated paper list for large-scale pre-trained multi-modal big models: //github.com/wangxiao5791509/MultiModal_BigModels_Survey

Zero-shot Learning (ZSL), which aims to predict for those classes that have never appeared in the training data, has arisen hot research interests. The key of implementing ZSL is to leverage the prior knowledge of classes which builds the semantic relationship between classes and enables the transfer of the learned models (e.g., features) from training classes (i.e., seen classes) to unseen classes. However, the priors adopted by the existing methods are relatively limited with incomplete semantics. In this paper, we explore richer and more competitive prior knowledge to model the inter-class relationship for ZSL via ontology-based knowledge representation and semantic embedding. Meanwhile, to address the data imbalance between seen classes and unseen classes, we developed a generative ZSL framework with Generative Adversarial Networks (GANs). Our main findings include: (i) an ontology-enhanced ZSL framework that can be applied to different domains, such as image classification (IMGC) and knowledge graph completion (KGC); (ii) a comprehensive evaluation with multiple zero-shot datasets from different domains, where our method often achieves better performance than the state-of-the-art models. In particular, on four representative ZSL baselines of IMGC, the ontology-based class semantics outperform the previous priors e.g., the word embeddings of classes by an average of 12.4 accuracy points in the standard ZSL across two example datasets (see Figure 4).