Point clouds are versatile representations of 3D objects and have found widespread application in science and engineering. Many successful deep-learning models have been proposed that use them as input. The domain of chemical and materials modeling is especially challenging because exact compliance with physical constraints is highly desirable for a model to be usable in practice. These constraints include smoothness and invariance with respect to translations, rotations, and permutations of identical atoms. If these requirements are not rigorously fulfilled, atomistic simulations might lead to absurd outcomes even if the model has excellent accuracy. Consequently, dedicated architectures, which achieve invariance by restricting their design space, have been developed. General-purpose point-cloud models are more varied but often disregard rotational symmetry. We propose a general symmetrization method that adds rotational equivariance to any given model while preserving all the other requirements. Our approach simplifies the development of better atomic-scale machine-learning schemes by relaxing the constraints on the design space and making it possible to incorporate ideas that proved effective in other domains. We demonstrate this idea by introducing the Point Edge Transformer (PET) architecture, which is not intrinsically equivariant but achieves state-of-the-art performance on several benchmark datasets of molecules and solids. A-posteriori application of our general protocol makes PET exactly equivariant, with minimal changes to its accuracy.

Topic modelling is a prominent task for automatic topic extraction in many applications such as sentiment analysis and recommendation systems. The approach is vital for service industries to monitor their customer discussions. The use of traditional approaches such as Latent Dirichlet Allocation (LDA) for topic discovery has shown great performances, however, they are not consistent in their results as these approaches suffer from data sparseness and inability to model the word order in a document. Thus, this study presents the use of Kernel Principal Component Analysis (KernelPCA) and K-means Clustering in the BERTopic architecture. We have prepared a new dataset using tweets from customers of Nigerian banks and we use this to compare the topic modelling approaches. Our findings showed KernelPCA and K-means in the BERTopic architecture-produced coherent topics with a coherence score of 0.8463.

Morphological neural networks, or layers, can be a powerful tool to boost the progress in mathematical morphology, either on theoretical aspects such as the representation of complete lattice operators, or in the development of image processing pipelines. However, these architectures turn out to be difficult to train when they count more than a few morphological layers, at least within popular machine learning frameworks which use gradient descent based optimization algorithms. In this paper we investigate the potential and limitations of differentiation based approaches and back-propagation applied to morphological networks, in light of the non-smooth optimization concept of Bouligand derivative. We provide insights and first theoretical guidelines, in particular regarding initialization and learning rates.

This work studies machine learning for electron density prediction, which is fundamental for understanding chemical systems and density functional theory (DFT) simulations. To this end, we introduce the Gaussian plane-wave neural operator (GPWNO), which operates in the infinite-dimensional functional space using the plane-wave and Gaussian-type orbital bases, widely recognized in the context of DFT. In particular, both high- and low-frequency components of the density can be effectively represented due to the complementary nature of the two bases. Extensive experiments on QM9, MD, and material project datasets demonstrate GPWNO's superior performance over ten baselines.

The Stanceosaurus corpus (Zheng et al., 2022) was designed to provide high-quality, annotated, 5-way stance data extracted from Twitter, suitable for analyzing cross-cultural and cross-lingual misinformation. In the Stanceosaurus 2.0 iteration, we extend this framework to encompass Russian and Spanish. The former is of current significance due to prevalent misinformation amid escalating tensions with the West and the violent incursion into Ukraine. The latter, meanwhile, represents an enormous community that has been largely overlooked on major social media platforms. By incorporating an additional 3,874 Spanish and Russian tweets over 41 misinformation claims, our objective is to support research focused on these issues. To demonstrate the value of this data, we employed zero-shot cross-lingual transfer on multilingual BERT, yielding results on par with the initial Stanceosaurus study with a macro F1 score of 43 for both languages. This underlines the viability of stance classification as an effective tool for identifying multicultural misinformation.

The underwater world remains largely unexplored, with Autonomous Underwater Vehicles (AUVs) playing a crucial role in sub-sea explorations. However, continuous monitoring of underwater environments using AUVs can generate a significant amount of data. In addition, sending live data feed from an underwater environment requires dedicated on-board data storage options for AUVs which can hinder requirements of other higher priority tasks. Informative sampling techniques offer a solution by condensing observations. In this paper, we present a semantically-aware online informative sampling (ON-IS) approach which samples an AUV's visual experience in real-time. Specifically, we obtain visual features from a fine-tuned object detection model to align the sampling outcomes with the desired semantic information. Our contributions are (a) a novel Semantic Online Informative Sampling (SON-IS) algorithm, (b) a user study to validate the proposed approach and (c) a novel evaluation metric to score our proposed algorithm with respect to the suggested samples by human subjects

We study the feasibility of identifying epistemic uncertainty (reflecting a lack of knowledge), as opposed to aleatoric uncertainty (reflecting entropy in the underlying distribution), in the outputs of large language models (LLMs) over free-form text. In the absence of ground-truth probabilities, we explore a setting where, in order to (approximately) disentangle a given LLM's uncertainty, a significantly larger model stands in as a proxy for the ground truth. We show that small linear probes trained on the embeddings of frozen, pretrained models accurately predict when larger models will be more confident at the token level and that probes trained on one text domain generalize to others. Going further, we propose a fully unsupervised method that achieves non-trivial accuracy on the same task. Taken together, we interpret these results as evidence that LLMs naturally contain internal representations of different types of uncertainty that could potentially be leveraged to devise more informative indicators of model confidence in diverse practical settings.

Punctuation restoration is a crucial step after Automatic Speech Recognition (ASR) systems to enhance transcript readability and facilitate subsequent NLP tasks. Nevertheless, conventional lexical-based approaches are inadequate for solving the punctuation restoration task in Spanish, where ambiguity can be often found between unpunctuated declaratives and questions. In this study, we propose a novel hybrid acoustic-lexical punctuation restoration system for Spanish transcription, which consolidates acoustic and lexical signals through a modular process. Our experiment results show that the proposed system can effectively improve F1 score of question marks and overall punctuation restoration on both public and internal Spanish conversational datasets. Additionally, benchmark comparison against LLMs (Large Language Model) indicates the superiority of our approach in accuracy, reliability and latency. Furthermore, we demonstrate that the Word Error Rate (WER) of the ASR module also benefits from our proposed system.

The extraordinary advancement in Generative Artificial Intelligence (GenAI) has caused a transformative shift in our approach to complex tasks incorporating various modalities such as text, audio, video, and image generation. GenAI, as a broad category, excels at creating synthetic data that can closely mimic real-world phenomena, showcasing its prowess in diverse creative applications. In text generation, models like OpenAI's GPT (Generative Pre-trained Transformer) [OpenAI, 2023] are revolutionizing how society writes. These models, trained on massive corpora of text data, exhibit an impressive ability to understand context, generate coherent paragraphs, and even complete sentences in a very consistent way [Roumeliotis and Tselikas, 2023]. The ability to produce fluent and relevant textual content has established applications in natural language processing, content creation, and even automated writing [Huang and Tan, 2023]. Audio generation models, exemplified by technologies such as Tacotron [Wang et al., 2017] and WaveNet [Oord et al., 2016], have significantly advanced our ability to synthesize realistic speech patterns. These models take advantage of deep neural networks to capture the intricacies of human speech, producing natural-sounding voices and musical compositions with nuanced variations in tone, pitch, and rhythm [Ning et al., 2019]. Image generation, a focal point of our discussion, has witnessed the evolution of models such as DALL-E [Betker et al., 2023, Ramesh et al., 2021], MidJourney [mid, 2022], and Stable Diffusion [Rombach et al., 2022], which can generate diverse and intricate images from textual prompts.

Dynamic 2-[18F] fluoro-2-deoxy-D-glucose positron emission tomography (dFDG-PET) for human brain imaging has considerable clinical potential, yet its utilization remains limited. A key challenge in the quantitative analysis of dFDG-PET is characterizing a patient-specific blood input function, traditionally reliant on invasive arterial blood sampling. This research introduces a novel approach employing non-invasive deep learning model-based computations from the internal carotid arteries (ICA) with partial volume (PV) corrections, thereby eliminating the need for invasive arterial sampling. We present an end-to-end pipeline incorporating a 3D U-Net based ICA-net for ICA segmentation, alongside a Recurrent Neural Network (RNN) based MCIF-net for the derivation of a model-corrected blood input function (MCIF) with PV corrections. The developed 3D U-Net and RNN was trained and validated using a 5-fold cross-validation approach on 50 human brain FDG PET datasets. The ICA-net achieved an average Dice score of 82.18% and an Intersection over Union of 68.54% across all tested scans. Furthermore, the MCIF-net exhibited a minimal root mean squared error of 0.0052. The application of this pipeline to ground truth data for dFDG-PET brain scans resulted in the precise localization of seizure onset regions, which contributed to a successful clinical outcome, with the patient achieving a seizure-free state after treatment. These results underscore the efficacy of the ICA-net and MCIF-net deep learning pipeline in learning the ICA structure's distribution and automating MCIF computation with PV corrections. This advancement marks a significant leap in non-invasive neuroimaging.