Nawid Keshtmand

Nawid Keshtmand, Raul Santos-Rodriguez, Jonathan Lawry

A recent popular approach to out-of-distribution (OOD) detection is based on a self-supervised learning technique referred to as contrastive learning. There are two main variants of contrastive learning, namely instance and class discrimination, targeting features that can discriminate between different instances for the former, and different classes for the latter. In this paper, we aim to understand the effectiveness and limitation of existing contrastive learning methods for OOD detection. We approach this in 3 ways. First, we systematically study the performance difference between the instance discrimination and supervised contrastive learning variants in different OOD detection settings. Second, we study which in-distribution (ID) classes OOD data tend to be classified into. Finally, we study the spectral decay property of the different contrastive learning approaches and examine how it correlates with OOD detection performance. In scenarios where the ID and OOD datasets are sufficiently different from one another, we see that instance discrimination, in the absence of fine-tuning, is competitive with supervised approaches in OOD detection. We see that OOD samples tend to be classified into classes that have a distribution similar to the distribution of the entire dataset. Furthermore, we show that contrastive learning learns a feature space that contains singular vectors containing several directions with a high variance which can be detrimental or beneficial to OOD detection depending on the inference approach used.

Jeffrey N. Clark, Edward A. Small, Nawid Keshtmand et al.

Counterfactual explanations, and their associated algorithmic recourse, are typically leveraged to understand, explain, and potentially alter a prediction coming from a black-box classifier. In this paper, we propose to extend the use of counterfactuals to evaluate progress in sequential decision making tasks. To this end, we introduce a model-agnostic modular framework, TraCE (Trajectory Counterfactual Explanation) scores, which is able to distill and condense progress in highly complex scenarios into a single value. We demonstrate TraCE's utility across domains by showcasing its main properties in two case studies spanning healthcare and climate change.

Nawid Keshtmand, Raul Santos-Rodriguez, Jonathan Lawry

Two fundamental requirements for the deployment of machine learning models in safety-critical systems are to be able to detect out-of-distribution (OOD) data correctly and to be able to explain the prediction of the model. Although significant effort has gone into both OOD detection and explainable AI, there has been little work on explaining why a model predicts a certain data point is OOD. In this paper, we address this question by introducing the concept of an OOD counterfactual, which is a perturbed data point that iteratively moves between different OOD categories. We propose a method for generating such counterfactuals, investigate its application on synthetic and benchmark data, and compare it to several benchmark methods using a range of metrics.

Berenika Ewart-James, Matthew Wragg, Nawid Keshtmand et al.

Epilepsy is a common, chronic neurological disorder characterized by recurrent seizures caused by sudden bursts of abnormal electrical activity in the brain. Seizures can often be unpredictable, leading to uncertainty and anxiety for people with epilepsy. To address this problem, the Epilepsy UK Priority Setting Partnership identified research into seizure forecasting technology as a priority. Seizure onsets are recorded as discrete events embedded within continuously sampled physiological signals that exhibit strong circadian and multi-day rhythms. Standard modelling approaches often treat time as linear or rely on clock-time features, which may not explicitly capture the underlying physiological phase. In this paper, we examine whether seizure onsets exhibit phase preference relative to circadian rhythms derived from wearable inter-beat interval (IBI) data. As a proof-of-concept, using 176 days wearable and seizure diary data from a single patient, we extract oscillatory components via band-limited filtering and Hilbert-based phase estimation, and test for non-uniform seizure-phase alignment using circular statistics. We observe significant circadian phase concentration, while multiday bands do not show consistent or statistically significant phase clustering in this dataset. Exploratory logistic baselines indicate modest but detectable structure beyond simple clock-time effects. We argue that explicit physiological phase representations provide an interpretable bridge between continuous wearable sensing and sparse clinical events and may augment existing seizure forecasting pipelines. We discuss implications for multi-scale modelling, patient-facing interfaces, and future multi-patient validation

Nawid Keshtmand, Roussel Desmond Nzoyem, Jeffrey Nicholas Clark

Machine learning models achieve state-of-the-art performance across domains, yet their lack of interpretability limits safe deployment in high-stakes settings. Counterfactual explanations are widely used to provide actionable "what-if" recourse, but they typically remain instance-specific and do not quantify which features systematically drive outcome changes within coherent regions of the feature space or across an entire dataset. We introduce FLEX (Feature importance from Layered counterfactual EXplanations), a model- and domain-agnostic framework that converts sets of counterfactuals into feature change frequency scores at local, regional, and global levels. FLEX generalises local change-frequency measures by aggregating across instances and neighbourhoods, offering interpretable rankings that reflect how often each feature must change to flip predictions. The framework is compatible with different counterfactual generation methods, allowing users to emphasise characteristics such as sparsity, feasibility, or actionability, thereby tailoring the derived feature importances to practical constraints. We evaluate FLEX on two contrasting tabular tasks: traffic accident severity prediction and loan approval, and compare FLEX to SHAP- and LIME-derived feature importance values. Results show that (i) FLEX's global rankings correlate with SHAP while surfacing additional drivers, and (ii) regional analyses reveal context-specific factors that global summaries miss. FLEX thus bridges the gap between local recourse and global attribution, supporting transparent and intervention-oriented decision-making in risk-sensitive applications.

Jeffrey N. Clark, Matthew Wragg, Emily Nielsen et al.

There is a growing need to understand how digital systems can support clinical decision-making, particularly as artificial intelligence (AI) models become increasingly complex and less human-interpretable. This complexity raises concerns about trustworthiness, impacting safe and effective adoption of such technologies. Improved understanding of decision-making processes and requirements for explanations coming from decision support tools is a vital component in providing effective explainable solutions. This is particularly relevant in the data-intensive, fast-paced environments of intensive care units (ICUs). To explore these issues, group interviews were conducted with seven ICU clinicians, representing various roles and experience levels. Thematic analysis revealed three core themes: (T1) ICU decision-making relies on a wide range of factors, (T2) the complexity of patient state is challenging for shared decision-making, and (T3) requirements and capabilities of AI decision support systems. We include design recommendations from clinical input, providing insights to inform future AI systems for intensive care.

Jeffrey N. Clark, Elena Fillola, Nawid Keshtmand et al.

Monitoring greenhouse gas emissions and evaluating national inventories require efficient, scalable, and reliable inference methods. Top-down approaches, combined with recent advances in satellite observations, provide new opportunities to evaluate emissions at continental and global scales. However, transport models used in these methods remain a key source of uncertainty: they are computationally expensive to run at scale, and their uncertainty is difficult to characterise. Artificial intelligence offers a dual opportunity to accelerate transport simulations and to quantify their associated uncertainty. We present an ensemble-based pipeline for estimating atmospheric transport "footprints", greenhouse gas mole fraction measurements, and their uncertainties using a graph neural network emulator of a Lagrangian Particle Dispersion Model (LPDM). The approach is demonstrated with GOSAT (Greenhouse Gases Observing Satellite) observations for Brazil in 2016. The emulator achieved a ~1000x speed-up over the NAME LPDM, while reproducing large-scale footprint structures. Ensembles were calculated to quantify absolute and relative uncertainty, revealing spatial correlations with prediction error. The results show that ensemble spread highlights low-confidence spatial and temporal predictions for both atmospheric transport footprints and methane mole fractions. While demonstrated here for an LPDM emulator, the approach could be applied more generally to atmospheric transport models, supporting uncertainty-aware greenhouse gas inversion systems and improving the robustness of satellite-based emissions monitoring. With further development, ensemble-based emulators could also help explore systematic LPDM errors, offering a computationally efficient pathway towards a more comprehensive uncertainty budget in greenhouse gas flux estimates.

Roussel Desmond Nzoyem, Nawid Keshtmand, Enrique Crespo Fernandez et al.

We introduce WARP (Weight-space Adaptive Recurrent Prediction), a simple yet powerful model that unifies weight-space learning with linear recurrence to redefine sequence modeling. Unlike conventional recurrent neural networks (RNNs) which collapse temporal dynamics into fixed-dimensional hidden states, WARP explicitly parametrizes its hidden state as the weights and biases of a distinct auxiliary neural network, and uses input differences to drive its recurrence. This brain-inspired formulation enables efficient gradient-free adaptation of the auxiliary network at test-time, in-context learning abilities, and seamless integration of domain-specific physical priors. Empirical validation shows that WARP matches or surpasses state-of-the-art baselines on diverse classification tasks, featuring in the top three in 5 out of 6 real-world challenging datasets. Furthermore, extensive experiments across sequential image completion, multivariate time series forecasting, and dynamical system reconstruction demonstrate its expressiveness and generalisation capabilities. Remarkably, a physics-informed variant of our model outperforms the next best model by more than 10x. Ablation studies confirm the architectural necessity of key components, solidifying weight-space linear RNNs as a transformative paradigm for adaptive machine intelligence.

Nawid Keshtmand, Elena Fillola, Jeffrey Nicholas Clark et al.

Data-driven emulators are increasingly being used to learn and emulate physics-based simulations, reducing computational expense and run time. Here, we present a structured way to improve the quality of these high-dimensional emulated outputs, through the use of prototypes: an approximation of the emulator's output passed as an input, which informs the model and leads to better predictions. We demonstrate our approach to emulate atmospheric dispersion, key for greenhouse gas emissions monitoring, by comparing a baseline model to models trained using prototypes as an additional input. The prototype models achieve better performance, even with few prototypes and even if they are chosen at random, but we show that choosing the prototypes through data-driven methods (k-means) can lead to almost 10\% increased performance in some metrics.