The representations of the activation space of deep neural networks (DNNs) are widely utilized for tasks like natural language processing, anomaly detection and speech recognition. Due to the diverse nature of these tasks and the large size of DNNs, an efficient and task-independent representation of activations becomes crucial. Empirical p-values have been used to quantify the relative strength of an observed node activation compared to activations created by already-known inputs. Nonetheless, keeping raw data for these calculations increases memory resource consumption and raises privacy concerns. To this end, we propose a model-agnostic framework for creating representations of activations in DNNs using node-specific histograms to compute p-values of observed activations without retaining already-known inputs. Our proposed approach demonstrates promising potential when validated with multiple network architectures across various downstream tasks and compared with the kernel density estimates and brute-force empirical baselines. In addition, the framework reduces memory usage by 30% with up to 4 times faster p-value computing time while maintaining state-of-the-art detection power in downstream tasks such as the detection of adversarial attacks and synthesized content. Moreover, as we do not persist raw data at inference time, we could potentially reduce susceptibility to attacks and privacy issues.

We propose an auditing method to identify whether a large language model (LLM) encodes patterns such as hallucinations in its internal states, which may propagate to downstream tasks. We introduce a weakly supervised auditing technique using a subset scanning approach to detect anomalous patterns in LLM activations from pre-trained models. Importantly, our method does not need knowledge of the type of patterns a-priori. Instead, it relies on a reference dataset devoid of anomalies during testing. Further, our approach enables the identification of pivotal nodes responsible for encoding these patterns, which may offer crucial insights for fine-tuning specific sub-networks for bias mitigation. We introduce two new scanning methods to handle LLM activations for anomalous sentences that may deviate from the expected distribution in either direction. Our results confirm prior findings of BERT's limited internal capacity for encoding hallucinations, while OPT appears capable of encoding hallucination information internally. Importantly, our scanning approach, without prior exposure to false statements, performs comparably to a fully supervised out-of-distribution classifier.

Addressing fairness in lesion classification from dermatological images is crucial due to variations in how skin diseases manifest across skin tones. However, the absence of skin tone labels in public datasets hinders building a fair classifier. To date, such skin tone labels have been estimated prior to fairness analysis in independent studies using the Individual Typology Angle (ITA). Briefly, ITA calculates an angle based on pixels extracted from skin images taking into account the lightness and yellow-blue tints. These angles are then categorised into skin tones that are subsequently used to analyse fairness in skin cancer classification. In this work, we review and compare four ITA-based approaches of skin tone classification on the ISIC18 dataset, a common benchmark for assessing skin cancer classification fairness in the literature. Our analyses reveal a high disagreement among previously published studies demonstrating the risks of ITA-based skin tone estimation methods. Moreover, we investigate the causes of such large discrepancy among these approaches and find that the lack of diversity in the ISIC18 dataset limits its use as a testbed for fairness analysis. Finally, we recommend further research on robust ITA estimation and diverse dataset acquisition with skin tone annotation to facilitate conclusive fairness assessments of artificial intelligence tools in dermatology.

Despite major advances in artificial intelligence (AI) for medicine and healthcare, the deployment and adoption of AI technologies remain limited in real-world clinical practice. In recent years, concerns have been raised about the technical, clinical, ethical and legal risks associated with medical AI. To increase real world adoption, it is essential that medical AI tools are trusted and accepted by patients, clinicians, health organisations and authorities. This work describes the FUTURE-AI guideline as the first international consensus framework for guiding the development and deployment of trustworthy AI tools in healthcare. The FUTURE-AI consortium was founded in 2021 and currently comprises 118 inter-disciplinary experts from 51 countries representing all continents, including AI scientists, clinicians, ethicists, and social scientists. Over a two-year period, the consortium defined guiding principles and best practices for trustworthy AI through an iterative process comprising an in-depth literature review, a modified Delphi survey, and online consensus meetings. The FUTURE-AI framework was established based on 6 guiding principles for trustworthy AI in healthcare, i.e. Fairness, Universality, Traceability, Usability, Robustness and Explainability. Through consensus, a set of 28 best practices were defined, addressing technical, clinical, legal and socio-ethical dimensions. The recommendations cover the entire lifecycle of medical AI, from design, development and validation to regulation, deployment, and monitoring. FUTURE-AI is a risk-informed, assumption-free guideline which provides a structured approach for constructing medical AI tools that will be trusted, deployed and adopted in real-world practice. Researchers are encouraged to take the recommendations into account in proof-of-concept stages to facilitate future translation towards clinical practice of medical AI.

Machine Learning (ML) methods, particularly generative models, are effective in addressing critical problems across different domains, which includes material sciences. Examples include the design of novel molecules by combining data-driven techniques and domain knowledge to efficiently search the space of all plausible molecules and generate new and valid ones [1, 2, 3, 4]. Traditional high-throughput wet-lab experiments, physics-based simulations, and bioinformatics tools for the molecular design process heavily depend on human expertise. These processes require significant resource expenditure to propose, synthesize and test new molecules, thereby limiting the exploration space [5, 6, 7]. For example, generative models have been applied to facilitate the material discovery process by employing inverse molecular design problem. This approach transforms the conventional and slow discovery process by mapping the desired set of properties to a set of structures. The generative process is then optimized to encourage the generation of molecules with those selected properties. Countless approaches have been suggested for such tasks, most prominently VAEs with different sampling techniques [8, 9, 10]), GANs [11, 12], diffusion models [13], flow networks [14] and Transformers [15].

Deep generative models, such as Variational Autoencoders (VAEs), have been employed widely in computational creativity research. However, such models discourage out-of-distribution generation to avoid spurious sample generation, limiting their creativity. Thus, incorporating research on human creativity into generative deep learning techniques presents an opportunity to make their outputs more compelling and human-like. As we see the emergence of generative models directed to creativity research, a need for machine learning-based surrogate metrics to characterize creative output from these models is imperative. We propose group-based subset scanning to quantify, detect, and characterize creative processes by detecting a subset of anomalous node-activations in the hidden layers of generative models. Our experiments on original, typically decoded, and "creatively decoded" (Das et al 2020) image datasets reveal that the proposed subset scores distribution is more useful for detecting creative processes in the activation space rather than the pixel space. Further, we found that creative samples generate larger subsets of anomalies than normal or non-creative samples across datasets. The node activations highlighted during the creative decoding process are different from those responsible for normal sample generation.