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John Shawe-Taylor

Publications and source records attributed to John Shawe-Taylor.

At least 19 recordsLinked to original sources

Elastic-Net Multiple Kernel Learning: Combining Multiple Data Sources for Prediction

Multiple Kernel Learning (MKL) models combine several kernels in supervised and unsupervised settings to integrate multiple data representations or sources, each represented by a different kernel. MKL seeks an optimal linear combination of base kernels that maximizes a generalized performance measure under a regularization constraint. Various norms have been used to regularize the kernel weights, including $l1$, $l2$ and $lp$, as well as the "elastic-net" penalty, which combines $l1$- and $l2$-norm to promote both sparsity and the selection of correlated kernels. This property makes elastic-net regularized MKL (ENMKL) especially valuable when model interpretability is critical and kernels capture correlated information, such as in neuroimaging. Previous ENMKL methods have followed a two-stage procedure: fix kernel weights, train a support vector machine (SVM) with the weighted kernel, and then update the weights via gradient descent, cutting-plane methods, or surrogate functions. Here, we introduce an alternative ENMKL formulation that yields a simple analytical update for the kernel weights. We derive explicit algorithms for both SVM and kernel ridge regression (KRR) under this framework, and implement them in the open-source Pattern Recognition for Neuroimaging Toolbox (PRoNTo). We evaluate these ENMKL algorithms against $l1$-norm MKL and against SVM (or KRR) trained on the unweighted sum of kernels across three neuroimaging applications. Our results show that ENMKL matches or outperforms $l1$-norm MKL in all tasks and only underperforms standard SVM in one scenario. Crucially, ENMKL produces sparser, more interpretable models by selectively weighting correlated kernels.

cs.LG

Some theoretical improvements on the tightness of PAC-Bayes risk certificates for neural networks

This paper presents four theoretical contributions that improve the usability of risk certificates for neural networks based on PAC-Bayes bounds. First, two bounds on the KL divergence between Bernoulli distributions enable the derivation of the tightest explicit bounds on the true risk of classifiers across different ranges of empirical risk. The paper next focuses on the formalization of an efficient methodology based on implicit differentiation that enables the introduction of the optimization of PAC-Bayesian risk certificates inside the loss/objective function used to fit the network/model. The last contribution is a method to optimize bounds on non-differentiable objectives such as the 0-1 loss. These theoretical contributions are complemented with an empirical evaluation on the MNIST and CIFAR-10 datasets. In fact, this paper presents the first non-vacuous generalization bounds on CIFAR-10 for neural networks. Code to reproduce all experiments is available at github.com/Diegogpcm/pacbayesgradients.

cs.LG

Aligning Generalisation Between Humans and Machines

Recent advances in AI -- including generative approaches -- have resulted in technology that can support humans in scientific discovery and forming decisions, but may also disrupt democracies and target individuals. The responsible use of AI and its participation in human-AI teams increasingly shows the need for AI alignment, that is, to make AI systems act according to our preferences. A crucial yet often overlooked aspect of these interactions is the different ways in which humans and machines generalise. In cognitive science, human generalisation commonly involves abstraction and concept learning. In contrast, AI generalisation encompasses out-of-domain generalisation in machine learning, rule-based reasoning in symbolic AI, and abstraction in neurosymbolic AI. In this perspective paper, we combine insights from AI and cognitive science to identify key commonalities and differences across three dimensions: notions of, methods for, and evaluation of generalisation. We map the different conceptualisations of generalisation in AI and cognitive science along these three dimensions and consider their role for alignment in human-AI teaming. This results in interdisciplinary challenges across AI and cognitive science that must be tackled to provide a foundation for effective and cognitively supported alignment in human-AI teaming scenarios.

cs.AI

General Uncertainty Estimation with Delta Variances

Decision makers may suffer from uncertainty induced by limited data. This may be mitigated by accounting for epistemic uncertainty, which is however challenging to estimate efficiently for large neural networks. To this extent we investigate Delta Variances, a family of algorithms for epistemic uncertainty quantification, that is computationally efficient and convenient to implement. It can be applied to neural networks and more general functions composed of neural networks. As an example we consider a weather simulator with a neural-network-based step function inside -- here Delta Variances empirically obtain competitive results at the cost of a single gradient computation. The approach is convenient as it requires no changes to the neural network architecture or training procedure. We discuss multiple ways to derive Delta Variances theoretically noting that special cases recover popular techniques and present a unified perspective on multiple related methods. Finally we observe that this general perspective gives rise to a natural extension and empirically show its benefit.

cs.LG

TrueReason: An Exemplar Personalised Learning System Integrating Reasoning with Foundational Models

Personalised education is one of the domains that can greatly benefit from the most recent advances in Artificial Intelligence (AI) and Large Language Models (LLM). However, it is also one of the most challenging applications due to the cognitive complexity of teaching effectively while personalising the learning experience to suit independent learners. We hypothesise that one promising approach to excelling in such demanding use cases is using a \emph{society of minds}. In this chapter, we present TrueReason, an exemplar personalised learning system that integrates a multitude of specialised AI models that can mimic micro skills that are composed together by a LLM to operationalise planning and reasoning. The architecture of the initial prototype is presented while describing two micro skills that have been incorporated in the prototype. The proposed system demonstrates the first step in building sophisticated AI systems that can take up very complex cognitive tasks that are demanded by domains such as education.

cs.CY

Controlling Multiple Errors Simultaneously with a PAC-Bayes Bound

Current PAC-Bayes generalisation bounds are restricted to scalar metrics of performance, such as the loss or error rate. However, one ideally wants more information-rich certificates that control the entire distribution of possible outcomes, such as the distribution of the test loss in regression, or the probabilities of different mis-classifications. We provide the first PAC-Bayes bound capable of providing such rich information by bounding the Kullback-Leibler divergence between the empirical and true probabilities of a set of $M$ error types, which can either be discretized loss values for regression, or the elements of the confusion matrix (or a partition thereof) for classification. We transform our bound into a differentiable training objective. Our bound is especially useful in cases where the severity of different mis-classifications may change over time; existing PAC-Bayes bounds can only bound a particular pre-decided weighting of the error types. In contrast our bound implicitly controls all uncountably many weightings simultaneously.

stat.ML

Contrastive learning of T cell receptor representations

Computational prediction of the interaction of T cell receptors (TCRs) and their ligands is a grand challenge in immunology. Despite advances in high-throughput assays, specificity-labelled TCR data remains sparse. In other domains, the pre-training of language models on unlabelled data has been successfully used to address data bottlenecks. However, it is unclear how to best pre-train protein language models for TCR specificity prediction. Here we introduce a TCR language model called SCEPTR (Simple Contrastive Embedding of the Primary sequence of T cell Receptors), capable of data-efficient transfer learning. Through our model, we introduce a novel pre-training strategy combining autocontrastive learning and masked-language modelling, which enables SCEPTR to achieve its state-of-the-art performance. In contrast, existing protein language models and a variant of SCEPTR pre-trained without autocontrastive learning are outperformed by sequence alignment-based methods. We anticipate that contrastive learning will be a useful paradigm to decode the rules of TCR specificity.

q-bio.BM

Human-AI Coevolution

Human-AI coevolution, defined as a process in which humans and AI algorithms continuously influence each other, increasingly characterises our society, but is understudied in artificial intelligence and complexity science literature. Recommender systems and assistants play a prominent role in human-AI coevolution, as they permeate many facets of daily life and influence human choices on online platforms. The interaction between users and AI results in a potentially endless feedback loop, wherein users' choices generate data to train AI models, which, in turn, shape subsequent user preferences. This human-AI feedback loop has peculiar characteristics compared to traditional human-machine interaction and gives rise to complex and often ``unintended'' social outcomes. This paper introduces Coevolution AI as the cornerstone for a new field of study at the intersection between AI and complexity science focused on the theoretical, empirical, and mathematical investigation of the human-AI feedback loop. In doing so, we: (i) outline the pros and cons of existing methodologies and highlight shortcomings and potential ways for capturing feedback loop mechanisms; (ii) propose a reflection at the intersection between complexity science, AI and society; (iii) provide real-world examples for different human-AI ecosystems; and (iv) illustrate challenges to the creation of such a field of study, conceptualising them at increasing levels of abstraction, i.e., technical, epistemological, legal and socio-political.

cs.AI

A Toolbox for Modelling Engagement with Educational Videos

With the advancement and utility of Artificial Intelligence (AI), personalising education to a global population could be a cornerstone of new educational systems in the future. This work presents the PEEKC dataset and the TrueLearn Python library, which contains a dataset and a series of online learner state models that are essential to facilitate research on learner engagement modelling.TrueLearn family of models was designed following the "open learner" concept, using humanly-intuitive user representations. This family of scalable, online models also help end-users visualise the learner models, which may in the future facilitate user interaction with their models/recommenders. The extensive documentation and coding examples make the library highly accessible to both machine learning developers and educational data mining and learning analytics practitioners. The experiments show the utility of both the dataset and the library with predictive performance significantly exceeding comparative baseline models. The dataset contains a large amount of AI-related educational videos, which are of interest for building and validating AI-specific educational recommenders.

cs.CY

Can Reinforcement Learning support policy makers? A preliminary study with Integrated Assessment Models

Governments around the world aspire to ground decision-making on evidence. Many of the foundations of policy making - e.g. sensing patterns that relate to societal needs, developing evidence-based programs, forecasting potential outcomes of policy changes, and monitoring effectiveness of policy programs - have the potential to benefit from the use of large-scale datasets or simulations together with intelligent algorithms. These could, if designed and deployed in a way that is well grounded on scientific evidence, enable a more comprehensive, faster, and rigorous approach to policy making. Integrated Assessment Models (IAM) is a broad umbrella covering scientific models that attempt to link main features of society and economy with the biosphere into one modelling framework. At present, these systems are probed by policy makers and advisory groups in a hypothesis-driven manner. In this paper, we empirically demonstrate that modern Reinforcement Learning can be used to probe IAMs and explore the space of solutions in a more principled manner. While the implication of our results are modest since the environment is simplistic, we believe that this is a stepping stone towards more ambitious use cases, which could allow for effective exploration of policies and understanding of their consequences and limitations.

cs.AI

Exploration via Epistemic Value Estimation

How to efficiently explore in reinforcement learning is an open problem. Many exploration algorithms employ the epistemic uncertainty of their own value predictions -- for instance to compute an exploration bonus or upper confidence bound. Unfortunately the required uncertainty is difficult to estimate in general with function approximation. We propose epistemic value estimation (EVE): a recipe that is compatible with sequential decision making and with neural network function approximators. It equips agents with a tractable posterior over all their parameters from which epistemic value uncertainty can be computed efficiently. We use the recipe to derive an epistemic Q-Learning agent and observe competitive performance on a series of benchmarks. Experiments confirm that the EVE recipe facilitates efficient exploration in hard exploration tasks.

cs.LG

Upper and Lower Bounds on the Performance of Kernel PCA

Principal Component Analysis (PCA) is a popular method for dimension reduction and has attracted an unfailing interest for decades. More recently, kernel PCA (KPCA) has emerged as an extension of PCA but, despite its use in practice, a sound theoretical understanding of KPCA is missing. We contribute several lower and upper bounds on the efficiency of KPCA, involving the empirical eigenvalues of the kernel Gram matrix and new quantities involving a notion of variance. These bounds show how much information is captured by KPCA on average and contribute a better theoretical understanding of its efficiency. We demonstrate that fast convergence rates are achievable for a widely used class of kernels and we highlight the importance of some desirable properties of datasets to ensure KPCA efficiency.

cs.LG

Can Population-based Engagement Improve Personalisation? A Novel Dataset and Experiments

This work explores how population-based engagement prediction can address cold-start at scale in large learning resource collections. The paper introduces i) VLE, a novel dataset that consists of content and video based features extracted from publicly available scientific video lectures coupled with implicit and explicit signals related to learner engagement, ii) two standard tasks related to predicting and ranking context-agnostic engagement in video lectures with preliminary baselines and iii) a set of experiments that validate the usefulness of the proposed dataset. Our experimental results indicate that the newly proposed VLE dataset leads to building context-agnostic engagement prediction models that are significantly performant than ones based on previous datasets, mainly attributing to the increase of training examples. VLE dataset's suitability in building models towards Computer Science/ Artificial Intelligence education focused on e-learning/ MOOC use-cases is also evidenced. Further experiments in combining the built model with a personalising algorithm show promising improvements in addressing the cold-start problem encountered in educational recommenders. This is the largest and most diverse publicly available dataset to our knowledge that deals with learner engagement prediction tasks. The dataset, helper tools, descriptive statistics and example code snippets are available publicly.

cs.CY

TransductGAN: a Transductive Adversarial Model for Novelty Detection

Novelty detection, a widely studied problem in machine learning, is the problem of detecting a novel class of data that has not been previously observed. A common setting for novelty detection is inductive whereby only examples of the negative class are available during training time. Transductive novelty detection on the other hand has only witnessed a recent surge in interest, it not only makes use of the negative class during training but also incorporates the (unlabeled) test set to detect novel examples. Several studies have emerged under the transductive setting umbrella that have demonstrated its advantage over its inductive counterpart. Depending on the assumptions about the data, these methods go by different names (e.g. transductive novelty detection, semi-supervised novelty detection, positive-unlabeled learning, out-of-distribution detection). With the use of generative adversarial networks (GAN), a segment of those studies have adopted a transductive setup in order to learn how to generate examples of the novel class. In this study, we propose TransductGAN, a transductive generative adversarial network that attempts to learn how to generate image examples from both the novel and negative classes by using a mixture of two Gaussians in the latent space. It achieves that by incorporating an adversarial autoencoder with a GAN network, the ability to generate examples of novel data points offers not only a visual representation of novelties, but also overcomes the hurdle faced by many inductive methods of how to tune the model hyperparameters at the decision rule level. Our model has shown superior performance over state-of-the-art inductive and transductive methods. Our study is fully reproducible with the code available publicly.

cs.LG

Chaining Value Functions for Off-Policy Learning

To accumulate knowledge and improve its policy of behaviour, a reinforcement learning agent can learn `off-policy' about policies that differ from the policy used to generate its experience. This is important to learn counterfactuals, or because the experience was generated out of its own control. However, off-policy learning is non-trivial, and standard reinforcement-learning algorithms can be unstable and divergent. In this paper we discuss a novel family of off-policy prediction algorithms which are convergent by construction. The idea is to first learn on-policy about the data-generating behaviour, and then bootstrap an off-policy value estimate on this on-policy estimate, thereby constructing a value estimate that is partially off-policy. This process can be repeated to build a chain of value functions, each time bootstrapping a new estimate on the previous estimate in the chain. Each step in the chain is stable and hence the complete algorithm is guaranteed to be stable. Under mild conditions this comes arbitrarily close to the off-policy TD solution when we increase the length of the chain. Hence it can compute the solution even in cases where off-policy TD diverges. We prove that the proposed scheme is convergent and corresponds to an iterative decomposition of the inverse key matrix. Furthermore it can be interpreted as estimating a novel objective -- that we call a `k-step expedition' -- of following the target policy for finitely many steps before continuing indefinitely with the behaviour policy. Empirically we evaluate the idea on challenging MDPs such as Baird's counter example and observe favourable results.

cs.LG

Watch Less and Uncover More: Could Navigation Tools Help Users Search and Explore Videos?

Prior research has shown how 'content preview tools' improve speed and accuracy of user relevance judgements across different information retrieval tasks. This paper describes a novel user interface tool, the Content Flow Bar, designed to allow users to quickly identify relevant fragments within informational videos to facilitate browsing, through a cognitively augmented form of navigation. It achieves this by providing semantic "snippets" that enable the user to rapidly scan through video content. The tool provides visually-appealing pop-ups that appear in a time series bar at the bottom of each video, allowing to see in advance and at a glance how topics evolve in the content. We conducted a user study to evaluate how the tool changes the users search experience in video retrieval, as well as how it supports exploration and information seeking. The user questionnaire revealed that participants found the Content Flow Bar helpful and enjoyable for finding relevant information in videos. The interaction logs of the user study, where participants interacted with the tool for completing two informational tasks, showed that it holds promise for enhancing discoverability of content both across and within videos. This discovered potential could leverage a new generation of navigation tools in search and information retrieval.

cs.IR

Progress in Self-Certified Neural Networks

A learning method is self-certified if it uses all available data to simultaneously learn a predictor and certify its quality with a tight statistical certificate that is valid on unseen data. Recent work has shown that neural network models trained by optimising PAC-Bayes bounds lead not only to accurate predictors, but also to tight risk certificates, bearing promise towards achieving self-certified learning. In this context, learning and certification strategies based on PAC-Bayes bounds are especially attractive due to their ability to leverage all data to learn a posterior and simultaneously certify its risk with a tight numerical certificate. In this paper, we assess the progress towards self-certification in probabilistic neural networks learnt by PAC-Bayes inspired objectives. We empirically compare (on 4 classification datasets) classical test set bounds for deterministic predictors and a PAC-Bayes bound for randomised self-certified predictors. We first show that both of these generalisation bounds are not too far from out-of-sample test set errors. We then show that in data starvation regimes, holding out data for the test set bounds adversely affects generalisation performance, while self-certified strategies based on PAC-Bayes bounds do not suffer from this drawback, proving that they might be a suitable choice for the small data regime. We also find that probabilistic neural networks learnt by PAC-Bayes inspired objectives lead to certificates that can be surprisingly competitive with commonly used test set bounds.

cs.LG

Semantic TrueLearn: Using Semantic Knowledge Graphs in Recommendation Systems

In informational recommenders, many challenges arise from the need to handle the semantic and hierarchical structure between knowledge areas. This work aims to advance towards building a state-aware educational recommendation system that incorporates semantic relatedness between knowledge topics, propagating latent information across semantically related topics. We introduce a novel learner model that exploits this semantic relatedness between knowledge components in learning resources using the Wikipedia link graph, with the aim to better predict learner engagement and latent knowledge in a lifelong learning scenario. In this sense, Semantic TrueLearn builds a humanly intuitive knowledge representation while leveraging Bayesian machine learning to improve the predictive performance of the educational engagement. Our experiments with a large dataset demonstrate that this new semantic version of TrueLearn algorithm achieves statistically significant improvements in terms of predictive performance with a simple extension that adds semantic awareness to the model.

cs.IR