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Bayesian analysis has become an indispensable tool across many different cosmological fields including the study of gravitational waves, the Cosmic Microwave Background and the 21-cm signal from the Cosmic Dawn among other phenomena. The method provides a way to fit complex models to data describing key cosmological and astrophysical signals and a whole host of contaminating signals and instrumental effects modelled with 'nuisance parameters'. In this paper, we summarise a method that uses Masked Autoregressive Flows and Kernel Density Estimators to learn marginal posterior densities corresponding to core science parameters. We find that the marginal or 'nuisance-free' posteriors and the associated likelihoods have an abundance of applications including; the calculation of previously intractable marginal Kullback-Leibler divergences and marginal Bayesian Model Dimensionalities, likelihood emulation and prior emulation. We demonstrate each application using toy examples, examples from the field of 21-cm cosmology and samples from the Dark Energy Survey. We discuss how marginal summary statistics like the Kullback-Leibler divergences and Bayesian Model Dimensionalities can be used to examine the constraining power of different experiments and how we can perform efficient joint analysis by taking advantage of marginal prior and likelihood emulators. We package our multipurpose code up in the pip-installable code margarine for use in the wider scientific community.

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Predictive algorithms are often trained by optimizing some loss function, to which regularization functions are added to impose a penalty for violating constraints. As expected, the addition of such regularization functions can change the minimizer of the objective. It is not well-understood which regularizers change the minimizer of the loss, and, when the minimizer does change, how it changes. We use property elicitation to take first steps towards understanding the joint relationship between the loss and regularization functions and the optimal decision for a given problem instance. In particular, we give a necessary and sufficient condition on loss and regularizer pairs for when a property changes with the addition of the regularizer, and examine some regularizers satisfying this condition standard in the fair machine learning literature. We empirically demonstrate how algorithmic decision-making changes as a function of both data distribution changes and hardness of the constraints.

Despite an exciting new wave of multimodal machine learning models, current approaches still struggle to interpret the complex contextual relationships between the different modalities present in videos. Going beyond existing methods that emphasize simple activities or objects, we propose a new model-agnostic approach for generating detailed textual descriptions that captures multimodal video information. Our method leverages the extensive knowledge learnt by large language models, such as GPT-3.5 or Llama2, to reason about textual descriptions of the visual and aural modalities, obtained from BLIP-2, Whisper and ImageBind. Without needing additional finetuning of video-text models or datasets, we demonstrate that available LLMs have the ability to use these multimodal textual descriptions as proxies for ``sight'' or ``hearing'' and perform zero-shot multimodal classification of videos in-context. Our evaluations on popular action recognition benchmarks, such as UCF-101 or Kinetics, show these context-rich descriptions can be successfully used in video understanding tasks. This method points towards a promising new research direction in multimodal classification, demonstrating how an interplay between textual, visual and auditory machine learning models can enable more holistic video understanding.

Missing diversity, equity, and inclusion elements in affective computing datasets directly affect the accuracy and fairness of emotion recognition algorithms across different groups. A literature review reveals how affective computing systems may work differently for different groups due to, for instance, mental health conditions impacting facial expressions and speech or age-related changes in facial appearance and health. Our work analyzes existing affective computing datasets and highlights a disconcerting lack of diversity in current affective computing datasets regarding race, sex/gender, age, and (mental) health representation. By emphasizing the need for more inclusive sampling strategies and standardized documentation of demographic factors in datasets, this paper provides recommendations and calls for greater attention to inclusivity and consideration of societal consequences in affective computing research to promote ethical and accurate outcomes in this emerging field.

The exploration of pathways and alternative pathways that have a specific function is of interest in numerous chemical contexts. A framework for specifying and searching for pathways has previously been developed, but a focus on which of the many pathway solutions are realisable, or can be made realisable, is missing. Realisable here means that there actually exists some sequencing of the reactions of the pathway that will execute the pathway. We present a method for analysing the realisability of pathways based on the reachability question in Petri nets. For realisable pathways, our method also provides a certificate encoding an order of the reactions which realises the pathway. We present two extended notions of realisability of pathways, one of which is related to the concept of network catalysts. We exemplify our findings on the pentose phosphate pathway. Lastly, we discuss the relevance of our concepts for elucidating the choices often implicitly made when depicting pathways.

Privacy is important when dealing with sensitive personal information in machine learning models, which require large data sets for training. In the energy field, access to household prosumer energy data is crucial for energy predictions to support energy grid management and large-scale adoption of renewables however citizens are often hesitant to grant access to cloud-based machine learning models. Federated learning has been proposed as a solution to privacy challenges however report issues in generating the global prediction model due to data heterogeneity, variations in generation patterns, and the high number of parameters leading to even lower prediction accuracy. This paper addresses these challenges by introducing FedWOA a novel federated learning model that employs the Whale Optimization Algorithm to aggregate global prediction models from the weights of local LTSM neural network models trained on prosumer energy data. The proposed solution identifies the optimal vector of weights in the search spaces of the local models to construct the global shared model and then is subsequently transmitted to the local nodes to improve the prediction quality at the prosumer site while for handling non-IID data K-Means was used for clustering prosumers with similar scale of energy data. The evaluation results on prosumers energy data have shown that FedWOA can effectively enhance the accuracy of energy prediction models accuracy by 25% for MSE and 16% for MAE compared to FedAVG while demonstrating good convergence and reduced loss.

Real quantum computers will be subject to complicated, qubit-dependent noise, instead of simple noise such as depolarizing noise with the same strength for all qubits. We can do quantum error correction more effectively if our decoding algorithms take into account this prior information about the specific noise present. This motivates us to consider the complexity of surface code decoding where the input to the decoding problem is not only the syndrome-measurement results, but also a noise model in the form of probabilities of single-qubit Pauli errors for every qubit. In this setting, we show that Maximum Probability Error (MPE) decoding and Maximum Likelihood (ML) decoding for the surface code are NP-hard and #P-hard, respectively. We reduce directly from SAT for MPE decoding, and from #SAT for ML decoding, by showing how to transform a boolean formula into a qubit-dependent Pauli noise model and set of syndromes that encode the satisfiability properties of the formula. We also give hardness of approximation results for MPE and ML decoding. These are worst-case hardness results that do not contradict the empirical fact that many efficient surface code decoders are correct in the average case (i.e., for most sets of syndromes and for most reasonable noise models). These hardness results are nicely analogous with the known hardness results for MPE and ML decoding of arbitrary stabilizer codes with independent $X$ and $Z$ noise.

Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks have been shown to give superior performance in learning the dynamics of physical systems. There is a growing volume of literature that attempts to combine these two approaches. Here, we evaluate the performance of thirteen different graph neural networks, namely, Hamiltonian and Lagrangian graph neural networks, graph neural ODE, and their variants with explicit constraints and different architectures. We briefly explain the theoretical formulation highlighting the similarities and differences in the inductive biases and graph architecture of these systems. We evaluate these models on spring, pendulum, gravitational, and 3D deformable solid systems to compare the performance in terms of rollout error, conserved quantities such as energy and momentum, and generalizability to unseen system sizes. Our study demonstrates that GNNs with additional inductive biases, such as explicit constraints and decoupling of kinetic and potential energies, exhibit significantly enhanced performance. Further, all the physics-informed GNNs exhibit zero-shot generalizability to system sizes an order of magnitude larger than the training system, thus providing a promising route to simulate large-scale realistic systems.

Although measuring held-out accuracy has been the primary approach to evaluate generalization, it often overestimates the performance of NLP models, while alternative approaches for evaluating models either focus on individual tasks or on specific behaviors. Inspired by principles of behavioral testing in software engineering, we introduce CheckList, a task-agnostic methodology for testing NLP models. CheckList includes a matrix of general linguistic capabilities and test types that facilitate comprehensive test ideation, as well as a software tool to generate a large and diverse number of test cases quickly. We illustrate the utility of CheckList with tests for three tasks, identifying critical failures in both commercial and state-of-art models. In a user study, a team responsible for a commercial sentiment analysis model found new and actionable bugs in an extensively tested model. In another user study, NLP practitioners with CheckList created twice as many tests, and found almost three times as many bugs as users without it.

The field of few-shot learning has recently seen substantial advancements. Most of these advancements came from casting few-shot learning as a meta-learning problem. Model Agnostic Meta Learning or MAML is currently one of the best approaches for few-shot learning via meta-learning. MAML is simple, elegant and very powerful, however, it has a variety of issues, such as being very sensitive to neural network architectures, often leading to instability during training, requiring arduous hyperparameter searches to stabilize training and achieve high generalization and being very computationally expensive at both training and inference times. In this paper, we propose various modifications to MAML that not only stabilize the system, but also substantially improve the generalization performance, convergence speed and computational overhead of MAML, which we call MAML++.

We propose a novel approach to multimodal sentiment analysis using deep neural networks combining visual analysis and natural language processing. Our goal is different than the standard sentiment analysis goal of predicting whether a sentence expresses positive or negative sentiment; instead, we aim to infer the latent emotional state of the user. Thus, we focus on predicting the emotion word tags attached by users to their Tumblr posts, treating these as "self-reported emotions." We demonstrate that our multimodal model combining both text and image features outperforms separate models based solely on either images or text. Our model's results are interpretable, automatically yielding sensible word lists associated with emotions. We explore the structure of emotions implied by our model and compare it to what has been posited in the psychology literature, and validate our model on a set of images that have been used in psychology studies. Finally, our work also provides a useful tool for the growing academic study of images - both photographs and memes - on social networks.

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