Quantum state tomography aims to estimate the state of a quantum mechanical system which is described by a trace one, Hermitian positive semidefinite complex matrix, given a set of measurements of the state. Existing works focus on estimating the density matrix that represents the state, using a compressive sensing approach, with only fewer measurements than that required for a tomographically complete set, with the assumption that the true state has a low rank. One very popular method to estimate the state is the use of the Singular Value Thresholding (SVT) algorithm. In this work, we present a machine learning approach to estimate the quantum state of n-qubit systems by unrolling the iterations of SVT which we call Learned Quantum State Tomography (LQST). As merely unrolling SVT may not ensure that the output of the network meets the constraints required for a quantum state, we design and train a custom neural network whose architecture is inspired from the iterations of SVT with additional layers to meet the required constraints. We show that our proposed LQST with very few layers reconstructs the density matrix with much better fidelity than the SVT algorithm which takes many hundreds of iterations to converge. We also demonstrate the reconstruction of the quantum Bell state from an informationally incomplete set of noisy measurements.

We present the GPry algorithm for fast Bayesian inference of general (non-Gaussian) posteriors with a moderate number of parameters. GPry does not need any pre-training, special hardware such as GPUs, and is intended as a drop-in replacement for traditional Monte Carlo methods for Bayesian inference. Our algorithm is based on generating a Gaussian Process surrogate model of the log-posterior, aided by a Support Vector Machine classifier that excludes extreme or non-finite values. An active learning scheme allows us to reduce the number of required posterior evaluations by two orders of magnitude compared to traditional Monte Carlo inference. Our algorithm allows for parallel evaluations of the posterior at optimal locations, further reducing wall-clock times. We significantly improve performance using properties of the posterior in our active learning scheme and for the definition of the GP prior. In particular we account for the expected dynamical range of the posterior in different dimensionalities. We test our model against a number of synthetic and cosmological examples. GPry outperforms traditional Monte Carlo methods when the evaluation time of the likelihood (or the calculation of theoretical observables) is of the order of seconds; for evaluation times of over a minute it can perform inference in days that would take months using traditional methods. GPry is distributed as an open source Python package (pip install gpry) and can also be found at https://github.com/jonaselgammal/GPry.

We propose a layered hierarchical architecture called UCLA (Universal Causality Layered Architecture), which combines multiple levels of categorical abstraction for causal inference. At the top-most level, causal interventions are modeled combinatorially using a simplicial category of ordinal numbers. At the second layer, causal models are defined by a graph-type category. The non-random ``surgical" operations on causal structures, such as edge deletion, are captured using degeneracy and face operators from the simplicial layer above. The third categorical abstraction layer corresponds to the data layer in causal inference. The fourth homotopy layer comprises of additional structure imposed on the instance layer above, such as a topological space, which enables evaluating causal models on datasets. Functors map between every pair of layers in UCLA. Each functor between layers is characterized by a universal arrow, which defines an isomorphism between every pair of categorical layers. These universal arrows define universal elements and representations through the Yoneda Lemma, and in turn lead to a new category of elements based on a construction introduced by Grothendieck. Causal inference between each pair of layers is defined as a lifting problem, a commutative diagram whose objects are categories, and whose morphisms are functors that are characterized as different types of fibrations. We illustrate the UCLA architecture using a range of examples, including integer-valued multisets that represent a non-graphical framework for conditional independence, and causal models based on graphs and string diagrams using symmetric monoidal categories. We define causal effect in terms of the homotopy colimit of the nerve of the category of elements.

Proper estimation of predictive uncertainty is fundamental in applications that involve critical decisions. Uncertainty can be used to assess the reliability of model predictions, trigger human intervention, or decide whether a model can be safely deployed in the wild. We introduce Fortuna, an open-source library for uncertainty quantification. Fortuna provides calibration methods, such as conformal prediction, that can be applied to any trained neural network to obtain calibrated uncertainty estimates. The library further supports a number of Bayesian inference methods that can be applied to deep neural networks written in Flax.

Given a finite and noisy dataset generated with a closed-form mathematical model, when is it possible to learn the true generating model from the data alone? This is the question we investigate here. We show that this model-learning problem displays a transition from a low-noise phase in which the true model can be learned, to a phase in which the observation noise is too high for the true model to be learned by any method. Both in the low-noise phase and in the high-noise phase, probabilistic model selection leads to optimal generalization to unseen data. This is in contrast to standard machine learning approaches, including artificial neural networks, which in this particular problem are limited, in the low-noise phase, by their ability to interpolate. In the transition region between the learnable and unlearnable phases, generalization is hard for all approaches including probabilistic model selection.

Text-to-speech synthesis (TTS) is a task to convert texts into speech. Two of the factors that have been driving TTS are the advancements of probabilistic models and latent representation learning. We propose a TTS method based on latent variable conversion using a diffusion probabilistic model and the variational autoencoder (VAE). In our TTS method, we use a waveform model based on VAE, a diffusion model that predicts the distribution of latent variables in the waveform model from texts, and an alignment model that learns alignments between the text and speech latent sequences. Our method integrates diffusion with VAE by modeling both mean and variance parameters with diffusion, where the target distribution is determined by approximation from VAE. This latent variable conversion framework potentially enables us to flexibly incorporate various latent feature extractors. Our experiments show that our method is robust to linguistic labels with poor orthography and alignment errors.

Developments in autonomous vehicles (AVs) are rapidly advancing and will in the next 20 years become a central part to our society. However, especially in the early stages of deployment, there is expected to be incidents involving AVs. In the event of AV incidents, decisions will need to be made that require ethical decisions, e.g., deciding between colliding into a group of pedestrians or a rigid barrier. For an AV to undertake such ethical decision making and path planning, simulation models of the situation will be required that are used in real-time on-board the AV. These models will enable path planning and ethical decision making to be undertaken based on predetermined collision injury severity levels. In this research, models are developed for the path planning and ethical decision making that predetermine knowledge regarding the possible collision injury severities, i.e., peak deformation of the AV colliding into the rigid barrier or the impact velocity of the AV colliding into a pedestrian. Based on such knowledge and using fuzzy logic, a novel nonlinear weighted utility cost function for the collision injury severity levels is developed. This allows the model-based predicted collision outcomes arising from AV peak deformation and AV-pedestrian impact velocity to be examined separately via weighted utility cost functions with a common structure. The general form of the weighted utility cost function exploits a fuzzy sets approach, thus allowing common utility costs from the two separate utility cost functions to be meaningfully compared. A decision-making algorithm, which makes use of a utilitarian ethical approach, ensures that the AV will always steer onto the path which represents the lowest injury severity level, hence utility cost to society.

In principle, applying variational autoencoders (VAEs) to sequential data offers a method for controlled sequence generation, manipulation, and structured representation learning. However, training sequence VAEs is challenging: autoregressive decoders can often explain the data without utilizing the latent space, known as posterior collapse. To mitigate this, state-of-the-art models'weaken' the'powerful' decoder by applying uniformly random dropout to the decoder input. We show theoretically that this removes pointwise mutual information provided by the decoder input, which is compensated for by utilizing the latent space. We then propose an adversarial training strategy to achieve information-based stochastic dropout. Compared to uniform dropout on standard text benchmark datasets, our targeted approach increases both sequence modeling performance and the information captured in the latent space.

Novel X-ray methods are transforming the study of the functional dynamics of biomolecules. Key to this revolution is detection of often subtle conformational changes from diffraction data. Diffraction data contain patterns of bright spots known as reflections. To compute the electron density of a molecule, the intensity of each reflection must be estimated, and redundant observations reduced to consensus intensities. Systematic effects, however, lead to the measurement of equivalent reflections on different scales, corrupting observation of changes in electron density. Here, we present a modern Bayesian solution to this problem, which uses deep learning and variational inference to simultaneously rescale and merge reflection observations. We successfully apply this method to monochromatic and polychromatic single-crystal diffraction data, as well as serial femtosecond crystallography data. We find that this approach is applicable to the analysis of many types of diffraction experiments, while accurately and sensitively detecting subtle dynamics and anomalous scattering. Observation of the chemical and conformational dynamics of biomolecules by diffraction methods is impeded by several physical artifacts. The authors present an extensible framework for accurate correction of such data that can keep pace with rapid developments in diffraction methods.

The application of reinforcement learning in credit scoring has created a unique setting for contextual logistic bandit that does not conform to the usual exploration-exploitation tradeoff but rather favors exploration-free algorithms. Through sufficient randomness in a pool of observable contexts, the reinforcement learning agent can simultaneously exploit an action with the highest reward while still learning more about the structure governing that environment. Thus, it is the case that greedy algorithms consistently outperform algorithms with efficient exploration, such as Thompson sampling. However, in a more pragmatic scenario in credit scoring, lenders can, to a degree, classify each borrower as a separate group, and learning about the characteristics of each group does not infer any information to another group. Through extensive simulations, we show that Thompson sampling dominates over greedy algorithms given enough timesteps which increase with the complexity of underlying features.