Building taxonomies is often a significant part of building an ontology, and many attempts have been made to automate the creation of such taxonomies from relevant data. The idea in such approaches is either that relevant definitions of the intension of concepts can be extracted as patterns in the data (e.g. in formal concept analysis) or that their extension can be built from grouping data objects based on similarity (clustering). In both cases, the process leads to an automatically constructed structure, which can either be too coarse and lacking in definition, or too fined-grained and detailed, therefore requiring to be refined into the desired taxonomy. In this paper, we explore a method that takes inspiration from both approaches in an iterative and interactive process, so that refinement and definition of the concepts in the taxonomy occur at the time of identifying those concepts in the data. We show that this method is applicable on a variety of data sources and leads to taxonomies that can be more directly integrated into ontologies.

Traditional molecular string representations, such as SMILES, often pose challenges for AI-driven molecular design due to their non-sequential depiction of molecular substructures. To address this issue, we introduce Sequential Attachment-based Fragment Embedding (SAFE), a novel line notation for chemical structures. SAFE reimagines SMILES strings as an unordered sequence of interconnected fragment blocks while maintaining compatibility with existing SMILES parsers. It streamlines complex generative tasks, including scaffold decoration, fragment linking, polymer generation, and scaffold hopping, while facilitating autoregressive generation for fragment-constrained design, thereby eliminating the need for intricate decoding or graph-based models. We demonstrate the effectiveness of SAFE by training an 87-million-parameter GPT2-like model on a dataset containing 1.1 billion SAFE representations. Through targeted experimentation, we show that our SAFE-GPT model exhibits versatile and robust optimization performance. SAFE opens up new avenues for the rapid exploration of chemical space under various constraints, promising breakthroughs in AI-driven molecular design.

Chatbots have been studied for more than half a century. With the rapid development of natural language processing (NLP) technologies in recent years, chatbots using large language models (LLMs) have received much attention nowadays. Compared with traditional ones, modern chatbots are more powerful and have been used in real-world applications. There are however, bias and fairness concerns in modern chatbot design. Due to the huge amounts of training data, extremely large model sizes, and lack of interpretability, bias mitigation and fairness preservation of modern chatbots are challenging. Thus, a comprehensive overview on bias and fairness in chatbot systems is given in this paper. The history of chatbots and their categories are first reviewed. Then, bias sources and potential harms in applications are analyzed. Considerations in designing fair and unbiased chatbot systems are examined. Finally, future research directions are discussed.

Transformers have revolutionized almost all natural language processing (NLP) tasks but suffer from memory and computational complexity that scales quadratically with sequence length. In contrast, recurrent neural networks (RNNs) exhibit linear scaling in memory and computational requirements but struggle to match the same performance as Transformers due to limitations in parallelization and scalability. We propose a novel model architecture, Receptance Weighted Key Value (RWKV), that combines the efficient parallelizable training of transformers with the efficient inference of RNNs. Our approach leverages a linear attention mechanism and allows us to formulate the model as either a Transformer or an RNN, thus parallelizing computations during training and maintains constant computational and memory complexity during inference. We scale our models as large as 14 billion parameters, by far the largest dense RNN ever trained, and find RWKV performs on par with similarly sized Transformers, suggesting future work can leverage this architecture to create more efficient models. This work presents a significant step towards reconciling trade-offs between computational efficiency and model performance in sequence processing tasks.

The recent explosion of interest in multimodal applications has resulted in a wide selection of datasets and methods for representing and integrating information from different modalities. Despite these empirical advances, there remain fundamental research questions: How can we quantify the interactions that are necessary to solve a multimodal task? Subsequently, what are the most suitable multimodal models to capture these interactions? To answer these questions, we propose an information-theoretic approach to quantify the degree of redundancy, uniqueness, and synergy relating input modalities with an output task. We term these three measures as the PID statistics of a multimodal distribution (or PID for short), and introduce two new estimators for these PID statistics that scale to high-dimensional distributions. To validate PID estimation, we conduct extensive experiments on both synthetic datasets where the PID is known and on large-scale multimodal benchmarks where PID estimations are compared with human annotations. Finally, we demonstrate their usefulness in (1) quantifying interactions within multimodal datasets, (2) quantifying interactions captured by multimodal models, (3) principled approaches for model selection, and (4) three real-world case studies engaging with domain experts in pathology, mood prediction, and robotic perception where our framework helps to recommend strong multimodal models for each application.

Human-centric computer vision (HCCV) data curation practices often neglect privacy and bias concerns, leading to dataset retractions and unfair models. HCCV datasets constructed through nonconsensual web scraping lack crucial metadata for comprehensive fairness and robustness evaluations. Current remedies are post hoc, lack persuasive justification for adoption, or fail to provide proper contextualization for appropriate application. Our research focuses on proactive, domain-specific recommendations, covering purpose, privacy and consent, and diversity, for curating HCCV evaluation datasets, addressing privacy and bias concerns. We adopt an ante hoc reflective perspective, drawing from current practices, guidelines, dataset withdrawals, and audits, to inform our considerations and recommendations.

Generative adversarial networks have recently demonstrated outstanding performance in neural vocoding outperforming best autoregressive and flow-based models. In this paper, we show that this success can be extended to other tasks of conditional audio generation. In particular, building upon HiFi vocoders, we propose a novel HiFi++ general framework for bandwidth extension and speech enhancement. We show that with the improved generator architecture, HiFi++ performs better or comparably with the state-of-the-art in these tasks while spending significantly less computational resources. The effectiveness of our approach is validated through a series of extensive experiments.

The world's first comprehensive laws to regulate artificial intelligence have been agreed in a landmark deal after a marathon 37-hour negotiation between the European Parliament and EU member states. The agreement was described as "historic" by Thierry Breton, the European Commissioner responsible for a suite of laws in Europe that will also govern social media and search engines, covering giants such as X, TikTok and Google. Breton said 100 people had been in a room for almost three days to seal the deal. He said it was "worth the few hours of sleep" to make the "historic" deal. Carme Artigas, Spain's secretary of state for AI, who facilitated the negotiations, said France and Germany supported the text, amid reports that tech companies in those countries were fighting for a lighter touch approach to foster innovation among small companies.

Maize, a crucial crop globally cultivated across vast regions, especially in sub-Saharan Africa, Asia, and Latin America, occupies 197 million hectares as of 2021. Various statistical and machine learning models, including mixed-effect models, random coefficients models, random forests, and deep learning architectures, have been devised to predict maize yield. These models consider factors such as genotype, environment, genotype-environment interaction, and field management. However, the existing models often fall short of fully exploiting the complex network of causal relationships among these factors and the hierarchical structure inherent in agronomic data. This study introduces an innovative approach integrating random effects into Bayesian networks (BNs), leveraging their capacity to model causal and probabilistic relationships through directed acyclic graphs. Rooted in the linear mixed-effects models framework and tailored for hierarchical data, this novel approach demonstrates enhanced BN learning. Application to a real-world agronomic trial produces a model with improved interpretability, unveiling new causal connections. Notably, the proposed method significantly reduces the error rate in maize yield prediction from 28% to 17%. These results advocate for the preference of BNs in constructing practical decision support tools for hierarchical agronomic data, facilitating causal inference.

As the use of Lithium-ion batteries continues to grow, it becomes increasingly important to be able to predict their remaining useful life. This work aims to compare the relative performance of different machine learning algorithms, both traditional machine learning and deep learning, in order to determine the best-performing algorithms for battery cycle life prediction based on minimal data. We investigated 14 different machine learning models that were fed handcrafted features based on statistical data and split into 3 feature groups for testing. For deep learning models, we tested a variety of neural network models including different configurations of standard Recurrent Neural Networks, Gated Recurrent Units, and Long Short Term Memory with and without attention mechanism. Deep learning models were fed multivariate time series signals based on the raw data for each battery across the first 100 cycles. Our experiments revealed that the machine learning algorithms on handcrafted features performed particularly well, resulting in 10-20% average mean absolute percentage error. The best-performing algorithm was the Random Forest Regressor, which gave a minimum 9.8% mean absolute percentage error. Traditional machine learning models excelled due to their capability to comprehend general data set trends. In comparison, deep learning models were observed to perform particularly poorly on raw, limited data. Algorithms like GRU and RNNs that focused on capturing medium-range data dependencies were less adept at recognizing the gradual, slow trends critical for this task. Our investigation reveals that implementing machine learning models with hand-crafted features proves to be more effective than advanced deep learning models for predicting the remaining useful Lithium-ion battery life with limited data availability.