Partial label learning (PLL) is a weakly-supervised learning paradigm where each training instance is paired with a set of candidate labels (partial label), one of which is the true label. Noisy PLL (NPLL) relaxes this constraint by allowing some partial labels to not contain the true label, enhancing the practicality of the problem. Our work centers on NPLL and presents a minimalistic framework called SARI that initially assigns pseudo-labels to images by exploiting the noisy partial labels through a weighted nearest neighbour algorithm. These pseudo-label and image pairs are then used to train a deep neural network classifier with label smoothing and standard regularization techniques. The classifier's features and predictions are subsequently employed to refine and enhance the accuracy of pseudo-labels. SARI combines the strengths of Average Based Strategies (in pseudo labelling) and Identification Based Strategies (in classifier training) from the literature. We perform thorough experiments on seven datasets and compare SARI against nine NPLL and PLL methods from the prior art. SARI achieves state-of-the-art results in almost all studied settings, obtaining substantial gains in fine-grained classification and extreme noise settings.

The self-rationalising capabilities of LLMs are appealing because the generated explanations can give insights into the plausibility of the predictions. However, how faithful the explanations are to the predictions is questionable, raising the need to explore the patterns behind them further. To this end, we propose a hypothesis-driven statistical framework. We use a Bayesian network to implement a hypothesis about how a task (in our example, natural language inference) is solved, and its internal states are translated into natural language with templates. Those explanations are then compared to LLM-generated free-text explanations using automatic and human evaluations. This allows us to judge how similar the LLM's and the Bayesian network's decision processes are. We demonstrate the usage of our framework with an example hypothesis and two realisations in Bayesian networks. The resulting models do not exhibit a strong similarity to GPT-3.5. We discuss the implications of this as well as the framework's potential to approximate LLM decisions better in future work.

In tasks aiming for long-term returns, planning becomes necessary. We study generative modeling for planning with datasets repurposed from offline reinforcement learning. Specifically, we identify temporal consistency in the absence of step-wise rewards as one key technical challenge. We introduce the Latent Plan Transformer (LPT), a novel model that leverages a latent space to connect a Transformer-based trajectory generator and the final return. LPT can be learned with maximum likelihood estimation on trajectory-return pairs. In learning, posterior sampling of the latent variable naturally gathers sub-trajectories to form a consistent abstraction despite the finite context. During test time, the latent variable is inferred from an expected return before policy execution, realizing the idea of planning as inference. It then guides the autoregressive policy throughout the episode, functioning as a plan. Our experiments demonstrate that LPT can discover improved decisions from suboptimal trajectories. It achieves competitive performance across several benchmarks, including Gym-Mujoco, Maze2D, and Connect Four, exhibiting capabilities of nuanced credit assignments, trajectory stitching, and adaptation to environmental contingencies. These results validate that latent variable inference can be a strong alternative to step-wise reward prompting.

This paper introduces a novel prior called Diversified Block Sparse Prior to characterize the widespread block sparsity phenomenon in real-world data. By allowing diversification on variance and correlation matrix, we effectively address the sensitivity issue of existing block sparse learning methods to pre-defined block information, which enables adaptive block estimation while mitigating the risk of overfitting. Based on this, a diversified block sparse Bayesian learning method (DivSBL) is proposed, utilizing EM algorithm and dual ascent method for hyperparameter estimation. Moreover, we establish the global and local optimality theory of our model. Experiments validate the advantages of DivSBL over existing algorithms.

With the rise of complex cyber devices Cyber Forensics (CF) is facing many new challenges. For example, there are dozens of systems running on smartphones, each with more than millions of downloadable applications. Sifting through this large amount of data and making sense requires new techniques, such as from the field of Artificial Intelligence (AI). To apply these techniques successfully in CF, we need to justify and explain the results to the stakeholders of CF, such as forensic analysts and members of the court, for them to make an informed decision. If we want to apply AI successfully in CF, there is a need to develop trust in AI systems. Some other factors in accepting the use of AI in CF are to make AI authentic, interpretable, understandable, and interactive. This way, AI systems will be more acceptable to the public and ensure alignment with legal standards. An explainable AI (XAI) system can play this role in CF, and we call such a system XAI-CF. XAI-CF is indispensable and is still in its infancy. In this paper, we explore and make a case for the significance and advantages of XAI-CF. We strongly emphasize the need to build a successful and practical XAI-CF system and discuss some of the main requirements and prerequisites of such a system. We present a formal definition of the terms CF and XAI-CF and a comprehensive literature review of previous works that apply and utilize XAI to build and increase trust in CF. We discuss some challenges facing XAI-CF. We also provide some concrete solutions to these challenges. We identify key insights and future research directions for building XAI applications for CF. This paper is an effort to explore and familiarize the readers with the role of XAI applications in CF, and we believe that our work provides a promising basis for future researchers interested in XAI-CF.

Facing climate change, the already limited availability of drinking water will decrease in the future rendering drinking water an increasingly scarce resource. Considerable amounts of it are lost through leakages in water transportation and distribution networks. Thus, anomaly detection and localization, in particular for leakages, are crucial but challenging tasks due to the complex interactions and changing demands in water distribution networks. In this work, we analyze the effects of anomalies on the dynamics of critical infrastructure systems by modeling the networks employing Bayesian networks. We then discuss how the problem is connected to and can be considered through the lens of concept drift. In particular, we argue that model-based explanations of concept drift are a promising tool for localizing anomalies given limited information about the network. The methodology is experimentally evaluated using realistic benchmark scenarios. To showcase that our methodology applies to critical infrastructure more generally, in addition to considering leakages and sensor faults in water systems, we showcase the suitability of the derived technique to localize sensor faults in power systems.

As machine learning becomes more prominent there is a growing demand to perform several inference tasks in parallel. Running a dedicated model for each task is computationally expensive and therefore there is a great interest in multi-task learning (MTL). MTL aims at learning a single model that solves several tasks efficiently. Optimizing MTL models is often achieved by computing a single gradient per task and aggregating them for obtaining a combined update direction. However, these approaches do not consider an important aspect, the sensitivity in the gradient dimensions. Here, we introduce a novel gradient aggregation approach using Bayesian inference. We place a probability distribution over the task-specific parameters, which in turn induce a distribution over the gradients of the tasks. This additional valuable information allows us to quantify the uncertainty in each of the gradients dimensions, which can then be factored in when aggregating them. We empirically demonstrate the benefits of our approach in a variety of datasets, achieving state-of-the-art performance.

High-dimensional problems have long been considered the Achilles' heel of Bayesian optimization algorithms. Spurred by the curse of dimensionality, a large collection of algorithms aim to make it more performant in this setting, commonly by imposing various simplifying assumptions on the objective. In this paper, we identify the degeneracies that make vanilla Bayesian optimization poorly suited to high-dimensional tasks, and further show how existing algorithms address these degeneracies through the lens of lowering the model complexity. Moreover, we propose an enhancement to the prior assumptions that are typical to vanilla Bayesian optimization algorithms, which reduces the complexity to manageable levels without imposing structural restrictions on the objective. Our modification - a simple scaling of the Gaussian process lengthscale prior with the dimensionality - reveals that standard Bayesian optimization works drastically better than previously thought in high dimensions, clearly outperforming existing state-of-the-art algorithms on multiple commonly considered real-world high-dimensional tasks.

This paper presents the Learning the Universe Implicit Likelihood Inference (LtU-ILI) pipeline, a codebase for rapid, user-friendly, and cutting-edge machine learning (ML) inference in astrophysics and cosmology. The pipeline includes software for implementing various neural architectures, training schema, priors, and density estimators in a manner easily adaptable to any research workflow. It includes comprehensive validation metrics to assess posterior estimate coverage, enhancing the reliability of inferred results. Additionally, the pipeline is easily parallelizable, designed for efficient exploration of modeling hyperparameters. To demonstrate its capabilities, we present real applications across a range of astrophysics and cosmology problems, such as: estimating galaxy cluster masses from X-ray photometry; inferring cosmology from matter power spectra and halo point clouds; characterising progenitors in gravitational wave signals; capturing physical dust parameters from galaxy colors and luminosities; and establishing properties of semi-analytic models of galaxy formation. We also include exhaustive benchmarking and comparisons of all implemented methods as well as discussions about the challenges and pitfalls of ML inference in astronomical sciences. All code and examples are made publicly available at https://github.com/maho3/ltu-ili.

In the pursuit of novel catalyst development to address pressing environmental concerns and energy demand, conventional design and optimization methods often fall short due to the complexity and vastness of the catalyst parameter space. The advent of Machine Learning (ML) has ushered in a new era in the field of catalyst optimization, offering potential solutions to the shortcomings of traditional techniques. However, existing methods fail to effectively harness the wealth of information contained within the burgeoning body of scientific literature on catalyst synthesis. To address this gap, this study proposes an innovative Artificial Intelligence (AI) workflow that integrates Large Language Models (LLMs), Bayesian optimization, and an active learning loop to expedite and enhance catalyst optimization. Our methodology combines advanced language understanding with robust optimization strategies, effectively translating knowledge extracted from diverse literature into actionable parameters for practical experimentation and optimization. In this article, we demonstrate the application of this AI workflow in the optimization of catalyst synthesis for ammonia production. The results underscore the workflow's ability to streamline the catalyst development process, offering a swift, resource-efficient, and highprecision alternative to conventional methods. Keywords: Catalysts; Large Language Models; Active Learning; Bayesian Optimization; Ammonia Synthesis 1. Introduction The development of novel catalysts to address increasing energy demand and consumption has become an urgent task in the realm of renewable energy This surge is driven not only by escalating demands from applications in process optimization, yield improvement, and energy saving but also by a heightened awareness and concern for environmental issues, particularly the increase in carbon dioxide emissions. Several optimization strategies are conventionally employed to identify the optimal set of condition parameters, thereby enhancing the performance of the catalyst. The'One Factor At a Time' (OFAT) method is frequently employed as an alternative technique for chemical process optimization and comprehension While these conventional optimization methods and their advancements have undeniably made significant contributions to the field, certain gaps persist that limit their full potential in optimizing catalyst synthesis. The predominant reliance on the empirical knowledge and intuition of seasoned chemists, while invaluable, is not systematically scalable and transferable. Techniques like OFAT and DoE, though statistically rigorous, are often unable to keep pace with the sheer complexity and vastness of the catalyst parameter space, leaving much of it unexplored and underutilized.