We propose a novel method, scTree, for single-cell Tree Variational Autoencoders, extending a hierarchical clustering approach to single-cell RNA sequencing data. scTree corrects for batch effects while simultaneously learning a tree-structured data representation. This VAE-based method allows for a more in-depth understanding of complex cellular landscapes independently of the biasing effects of batches. We show empirically on seven datasets that scTree discovers the underlying clusters of the data and the hierarchical relations between them, as well as outperforms established baseline methods across these datasets. Additionally, we analyze the learned hierarchy to understand its biological relevance, thus underpinning the importance of integrating batch correction directly into the clustering procedure.

Recent advancements in the realm of deep generative models focus on generating samples that satisfy multiple desired properties. However, prevalent approaches optimize these property functions independently, thus omitting the trade-offs among them. In addition, the property optimization is often improperly integrated into the generative models, resulting in an unnecessary compromise on generation quality (i.e., the quality of generated samples). To address these issues, we formulate a constrained optimization problem. It seeks to optimize generation quality while ensuring that generated samples reside at the Pareto front of multiple property objectives. Such a formulation enables the generation of samples that cannot be further improved simultaneously on the conflicting property functions and preserves good quality of generated samples. Building upon this formulation, we introduce the PaRetO-gUided Diffusion model (PROUD), wherein the gradients in the denoising process are dynamically adjusted to enhance generation quality while the generated samples adhere to Pareto optimality. Experimental evaluations on image generation and protein generation tasks demonstrate that our PROUD consistently maintains superior generation quality while approaching Pareto optimality across multiple property functions compared to various baselines.

Comparing two samples of data, we observe a change in the distribution of an outcome variable. In the presence of multiple explanatory variables, how much of the change can be explained by each possible cause? We develop a new estimation strategy that, given a causal model, combines regression and re-weighting methods to quantify the contribution of each causal mechanism. Our proposed methodology is multiply robust, meaning that it still recovers the target parameter under partial misspecification. We prove that our estimator is consistent and asymptotically normal. Moreover, it can be incorporated into existing frameworks for causal attribution, such as Shapley values, which will inherit the consistency and large-sample distribution properties. Our method demonstrates excellent performance in Monte Carlo simulations, and we show its usefulness in an empirical application.

The progress in the generation of synthetic images has made it crucial to assess their quality. While several metrics have been proposed to assess the rendering of images, it is crucial for Text-to-Image (T2I) models, which generate images based on a prompt, to consider additional aspects such as to which extent the generated image matches the important content of the prompt. Moreover, although the generated images usually result from a random starting point, the influence of this one is generally not considered. In this article, we propose a new metric based on prompt templates to study the alignment between the content specified in the prompt and the corresponding generated images. It allows us to better characterize the alignment in terms of the type of the specified objects, their number, and their color. We conducted a study on several recent T2I models about various aspects. An additional interesting result we obtained with our approach is that image quality can vary drastically depending on the noise used as a seed for the images. We also quantify the influence of the number of concepts in the prompt, their order as well as their (color) attributes. Finally, our method allows us to identify some seeds that produce better images than others, opening novel directions of research on this understudied topic.

Safe autonomous driving critically depends on how well the ego-vehicle can predict the trajectories of neighboring vehicles. To this end, several trajectory prediction algorithms have been presented in the existing literature. Many of these approaches output a multi-modal distribution of obstacle trajectories instead of a single deterministic prediction to account for the underlying uncertainty. However, existing planners cannot handle the multi-modality based on just sample-level information of the predictions. With this motivation, this paper proposes a trajectory optimizer that can leverage the distributional aspects of the prediction in a computationally tractable and sample-efficient manner. Our optimizer can work with arbitrarily complex distributions and thus can be used with output distribution represented as a deep neural network. The core of our approach is built on embedding distribution in Reproducing Kernel Hilbert Space (RKHS), which we leverage in two ways. First, we propose an RKHS embedding approach to select probable samples from the obstacle trajectory distribution. Second, we rephrase chance-constrained optimization as distribution matching in RKHS and propose a novel sampling-based optimizer for its solution. We validate our approach with hand-crafted and neural network-based predictors trained on real-world datasets and show improvement over the existing stochastic optimization approaches in safety metrics.

Hierarchical time series are common in several applied fields. The forecasts for these time series are required to be coherent, that is, to satisfy the constraints given by the hierarchy. The most popular technique to enforce coherence is called reconciliation, which adjusts the base forecasts computed for each time series. However, recent works on probabilistic reconciliation present several limitations. In this paper, we propose a new approach based on conditioning to reconcile any type of forecast distribution. We then introduce a new algorithm, called Bottom-Up Importance Sampling, to efficiently sample from the reconciled distribution. It can be used for any base forecast distribution: discrete, continuous, or in the form of samples, providing a major speedup compared to the current methods. Experiments on several temporal hierarchies show a significant improvement over base probabilistic forecasts.

Explainable AI (XAI) methods have mostly been built to investigate and shed light on single machine learning models and are not designed to capture and explain differences between multiple models effectively. This paper addresses the challenge of understanding and explaining differences between machine learning models, which is crucial for model selection, monitoring and lifecycle management in real-world applications. We propose DeltaXplainer, a model-agnostic method for generating rule-based explanations describing the differences between two binary classifiers. To assess the effectiveness of DeltaXplainer, we conduct experiments on synthetic and real-world datasets, covering various model comparison scenarios involving different types of concept drift.

Large Language Models (LLMs) have demonstrated impressive performance on Natural Language Processing (NLP) tasks, such as Question Answering, Summarization, and Classification. The use of LLMs as evaluators, that can rank or score the output of other models (usually LLMs) has become increasingly popular, due to the limitations of current evaluation techniques including the lack of appropriate benchmarks, metrics, cost, and access to human annotators. While LLMs are capable of handling approximately 100 languages, the majority of languages beyond the top 20 lack systematic evaluation across various tasks, metrics, and benchmarks. This creates an urgent need to scale up multilingual evaluation to ensure a precise understanding of LLM performance across diverse languages. LLM-based evaluators seem like the perfect solution to this problem, as they do not require human annotators, human-created references, or benchmarks and can theoretically be used to evaluate any language covered by the LLM. In this paper, we investigate whether LLM-based evaluators can help scale up multilingual evaluation. Specifically, we calibrate LLM-based evaluation against 20k human judgments of five metrics across three text-generation tasks in eight languages. Our findings indicate that LLM-based evaluators may exhibit bias towards higher scores and should be used with caution and should always be calibrated with a dataset of native speaker judgments, particularly in low-resource and non-Latin script languages.

Good prediction is necessary for autonomous robotics to make informed decisions in dynamic environments. Improvements can be made to the performance of a given data-driven prediction model by using better sampling strategies when collecting training data. Active learning approaches to optimal sampling have been combined with the mathematically general approaches to incentivizing exploration presented in the curiosity literature via model-based formulations of curiosity. We present an adversarial curiosity method which maximizes a score given by a discriminator network. This score gives a measure of prediction certainty enabling our approach to sample sequences of observations and actions which result in outcomes considered the least realistic by the discriminator. We demonstrate the ability of our active sampling method to achieve higher prediction performance and higher sample efficiency in a domain transfer problem for robotic manipulation tasks. We also present a validation dataset of action-conditioned video of robotic manipulation tasks on which we test the prediction performance of our trained models.

This paper describes ASAL a new active learning strategy that uses uncertainty sampling, adversarial sample generation and sample matching. Compared to traditional pool-based uncertainty sampling strategies, ASAL synthesizes uncertain samples instead of performing an exhaustive search in each active learning cycle. Then, the sample matching efficiently selects similar samples from the pool. We present a comprehensive set of experiments on MNIST and CIFAR-10 and show that ASAL outperforms similar methods and clearly exceeds passive learning. To the best of our knowledge this is the first pool-based adversarial active learning technique and the first that is applied for multi-label classification using deep convolutional classifiers.