Daily Papers

We propose a new uncertainty estimator for gradient-free optimisation of black-box simulators using deep generative surrogate models. Optimisation of these simulators is especially challenging for stochastic simulators and higher dimensions. To address these issues, we utilise a deep generative surrogate approach to model the black box response for the entire parameter space. We then leverage this knowledge to estimate the proposed uncertainty based on the Wasserstein distance - the Wasserstein uncertainty. This approach is employed in a posterior agnostic gradient-free optimisation algorithm that minimises regret over the entire parameter space. A series of tests were conducted to demonstrate that our method is more robust to the shape of both the black box function and the stochastic response of the black box than state-of-the-art methods, such as efficient global optimisation with a deep Gaussian process surrogate.

This paper describes an investigation of the possible benefits from wing optimisation in improving the performance of Micro Air Vehicles (MAVs). As an example we study the Avion (3.64 kg mass, 1.60 m span), being designed at the CSIR National Aerospace Laboratories (NAL), Bengaluru. The optimisation is first carried out using the methodology described by Rakshith et al. (using an in\textendash house software PROWING), developed for large transport aircraft, with certain modifications to adapt the code to the special features of the MAV. The chief among such features is the use of low Reynolds number aerofoils with significantly different aerodynamic characteristics on a small MAV. These characteristics are taken from test data when available, and/or estimated by the XFOIL code of Drela. A total of 8 optimisation cases are studied for the purpose, leading to 6 different options for new wing planforms (and associated twist distributions along the wing span) with an improved performance. It is found that the improvements in drag coefficient using the PROWING code are about 5%. However, by allowing the operating lift coefficient C_L to float within a specified range, drag bucket characteristics of the Eppler E423 aerofoil used on Avion can be exploited to improve the endurance, which is a major performance parameter for Avion. Thus, compared to the control wing W_0 (with operating point at C_L =0.7) used in the preliminary design, permitting a variation of C_L over a range of pm 10% is shown to enhance the endurance of wing W_4 by 18.6%, and of wing W_{6} with a permitted C_L range of pm 50% by 39.2%. Apart from the philosophy of seeking optimal operating conditions for a given configuration, the advantages of optimising design parameters such as washout of a simple wing proposed in the preliminary design stage, is also demonstrated.

Bayesian optimisation (BO) uses probabilistic surrogate models - usually Gaussian processes (GPs) - for the optimisation of expensive black-box functions. At each BO iteration, the GP hyperparameters are fit to previously-evaluated data by maximising the marginal likelihood. However, this fails to account for uncertainty in the hyperparameters themselves, leading to overconfident model predictions. This uncertainty can be accounted for by taking the Bayesian approach of marginalising out the model hyperparameters. We investigate whether a fully-Bayesian treatment of the Gaussian process hyperparameters in BO (FBBO) leads to improved optimisation performance. Since an analytic approach is intractable, we compare FBBO using three approximate inference schemes to the maximum likelihood approach, using the Expected Improvement (EI) and Upper Confidence Bound (UCB) acquisition functions paired with ARD and isotropic Matern kernels, across 15 well-known benchmark problems for 4 observational noise settings. FBBO using EI with an ARD kernel leads to the best performance in the noise-free setting, with much less difference between combinations of BO components when the noise is increased. FBBO leads to over-exploration with UCB, but is not detrimental with EI. Therefore, we recommend that FBBO using EI with an ARD kernel as the default choice for BO.

Bayesian optimisation is a popular approach for optimising expensive black-box functions. The next location to be evaluated is selected via maximising an acquisition function that balances exploitation and exploration. Gaussian processes, the surrogate models of choice in Bayesian optimisation, are often used with a constant prior mean function equal to the arithmetic mean of the observed function values. We show that the rate of convergence can depend sensitively on the choice of mean function. We empirically investigate 8 mean functions (constant functions equal to the arithmetic mean, minimum, median and maximum of the observed function evaluations, linear, quadratic polynomials, random forests and RBF networks), using 10 synthetic test problems and two real-world problems, and using the Expected Improvement and Upper Confidence Bound acquisition functions. We find that for design dimensions ge5 using a constant mean function equal to the worst observed quality value is consistently the best choice on the synthetic problems considered. We argue that this worst-observed-quality function promotes exploitation leading to more rapid convergence. However, for the real-world tasks the more complex mean functions capable of modelling the fitness landscape may be effective, although there is no clearly optimum choice.

Bayesian optimisation is a popular, surrogate model-based approach for optimising expensive black-box functions. Given a surrogate model, the next location to expensively evaluate is chosen via maximisation of a cheap-to-query acquisition function. We present an epsilon-greedy procedure for Bayesian optimisation in batch settings in which the black-box function can be evaluated multiple times in parallel. Our epsilon-shotgun algorithm leverages the model's prediction, uncertainty, and the approximated rate of change of the landscape to determine the spread of batch solutions to be distributed around a putative location. The initial target location is selected either in an exploitative fashion on the mean prediction, or -- with probability epsilon -- from elsewhere in the design space. This results in locations that are more densely sampled in regions where the function is changing rapidly and in locations predicted to be good (i.e close to predicted optima), with more scattered samples in regions where the function is flatter and/or of poorer quality. We empirically evaluate the epsilon-shotgun methods on a range of synthetic functions and two real-world problems, finding that they perform at least as well as state-of-the-art batch methods and in many cases exceed their performance.

Direct Preference Optimisation (DPO) is effective at significantly improving the performance of large language models (LLMs) on downstream tasks such as reasoning, summarisation, and alignment. Using pairs of preferred and dispreferred data, DPO models the relative probability of picking one response over another. In this work, first we show theoretically that the standard DPO loss can lead to a reduction of the model's likelihood of the preferred examples, as long as the relative probability between the preferred and dispreferred classes increases. We then show empirically that this phenomenon occurs when fine-tuning LLMs on common datasets, especially datasets in which the edit distance between pairs of completions is low. Using these insights, we design DPO-Positive (DPOP), a new loss function and training procedure which avoids this failure mode. Surprisingly, we also find that DPOP significantly outperforms DPO across a wide variety of datasets and downstream tasks, including datasets with high edit distances between completions. By fine-tuning with DPOP, we create and release Smaug-34B and Smaug-72B, which achieve state-of-the-art open-source performance. Notably, Smaug-72B is nearly 2\% better than any other open-source model on the HuggingFace Open LLM Leaderboard and becomes the first open-source LLM to surpass an average accuracy of 80\%.

Direct Alignment Algorithms (DAAs), such as Direct Preference Optimisation (DPO) and Identity Preference Optimisation (IPO), have emerged as alternatives to online Reinforcement Learning from Human Feedback (RLHF) algorithms such as Proximal Policy Optimisation (PPO) for aligning language models to human preferences, without the need for explicit reward modelling. These methods generally aim to increase the likelihood of generating better (preferred) completions while discouraging worse (non-preferred) ones, while staying close to the original model's behaviour. In this work, we explore the relationship between completion likelihood and model performance in state-of-the-art DAAs, and identify a critical issue of likelihood over-optimisation. Contrary to expectations, we find that higher likelihood of better completions and larger margins between better and worse completion likelihoods do not necessarily lead to better performance, and may even degrade it. Our analysis reveals that while higher likelihood correlates with better memorisation of factual knowledge patterns, a slightly lower completion likelihood tends to improve output diversity, thus leading to better generalisation to unseen scenarios. Moreover, we identify two key indicators that signal when over-optimised output diversity begins to harm performance: Decreasing Entropy over Top-k Tokens and Diminishing Top-k Probability Mass. Our experimental results validate that these indicators are reliable signs of declining performance under different regularisations, helping prevent over-optimisation and improve alignment with human preferences.

Learning to Rank (LTR) algorithms are usually evaluated using Information Retrieval metrics like Normalised Discounted Cumulative Gain (NDCG) or Mean Average Precision. As these metrics rely on sorting predicted items' scores (and thus, on items' ranks), their derivatives are either undefined or zero everywhere. This makes them unsuitable for gradient-based optimisation, which is the usual method of learning appropriate scoring functions. Commonly used LTR loss functions are only loosely related to the evaluation metrics, causing a mismatch between the optimisation objective and the evaluation criterion. In this paper, we address this mismatch by proposing NeuralNDCG, a novel differentiable approximation to NDCG. Since NDCG relies on the non-differentiable sorting operator, we obtain NeuralNDCG by relaxing that operator using NeuralSort, a differentiable approximation of sorting. As a result, we obtain a new ranking loss function which is an arbitrarily accurate approximation to the evaluation metric, thus closing the gap between the training and the evaluation of LTR models. We introduce two variants of the proposed loss function. Finally, the empirical evaluation shows that our proposed method outperforms previous work aimed at direct optimisation of NDCG and is competitive with the state-of-the-art methods.

Large language models (LLMs) have shown remarkable ability to generate code, yet their outputs often violate syntactic or semantic constraints when guided only through natural language prompts. We introduce TreeCoder, the most general and flexible framework to date for exploring decoding strategies, constraints, and hyperparameters in LLMs, and use it in code generation to enforce correctness and structure during decoding rather than relying on prompt engineering. TreeCoder represents decoding as a tree search over candidate programs, where both decoding strategies and constraint functions - such as style, syntax, execution - are treated as first-class, optimisable components. This design enables systematic exploration and automatic tuning of decoding configurations using standard optimisation techniques. Experiments on the MBPP (Python) and SQL-Spider benchmarks show that TreeCoder consistently improves accuracy across open-source models such as CodeLlama, Mistral and DeepSeek, often outperforming their unconstrained baselines by considerable margins.

The recent success of machine learning models, especially large-scale classifiers and language models, relies heavily on training with massive data. These data are often collected from online sources. This raises serious concerns about the protection of user data, as individuals may not have given consent for their data to be used in training. To address this concern, recent studies introduce the concept of unlearnable examples, i.e., data instances that appear natural but are intentionally altered to prevent models from effectively learning from them. While existing methods demonstrate empirical effectiveness, they typically rely on heuristic trials and lack formal guarantees. Besides, when unlearnable examples are mixed with clean data, as is often the case in practice, their unlearnability disappears. In this work, we propose a novel approach to constructing unlearnable examples by systematically maximising the Bayes error, a measurement of irreducible classification error. We develop an optimisation-based approach and provide an efficient solution using projected gradient ascent. Our method provably increases the Bayes error and remains effective when the unlearning examples are mixed with clean samples. Experimental results across multiple datasets and model architectures are consistent with our theoretical analysis and show that our approach can restrict data learnability, effectively in practice.

Style Transfer with Inference-Time Optimisation (ST-ITO) is a recent approach for transferring the applied effects of a reference audio to a raw audio track. It optimises the effect parameters to minimise the distance between the style embeddings of the processed audio and the reference. However, this method treats all possible configurations equally and relies solely on the embedding space, which can lead to unrealistic or biased results. We address this pitfall by introducing a Gaussian prior derived from a vocal preset dataset, DiffVox, over the parameter space. The resulting optimisation is equivalent to maximum-a-posteriori estimation. Evaluations on vocal effects transfer on the MedleyDB dataset show significant improvements across metrics compared to baselines, including a blind audio effects estimator, nearest-neighbour approaches, and uncalibrated ST-ITO. The proposed calibration reduces parameter mean squared error by up to 33% and matches the reference style better. Subjective evaluations with 16 participants confirm our method's superiority, especially in limited data regimes. This work demonstrates how incorporating prior knowledge in inference time enhances audio effects transfer, paving the way for more effective and realistic audio processing systems.

Recent prompt optimisation approaches use the generative nature of language models to produce prompts -- even rivaling the performance of human-curated prompts. In this paper, we demonstrate that randomly sampling tokens from the model vocabulary as ``separators'' can be as effective as language models for prompt-style text classification. Our experiments show that random separators are competitive baselines, having less than a 1% difference compared to previous self-optimisation methods and showing a 12% average relative improvement over strong human baselines across nine text classification tasks and eight language models. We further analyse this phenomenon in detail using three different random generation strategies, establishing that the language space is rich with potentially good separators, with a greater than 40% average chance that a randomly drawn separator performs better than human-curated separators. These observations challenge the common assumption that an effective prompt should be human readable or task relevant and establish a strong baseline for prompt optimisation research.

Multi-Agent Path Finding (MAPF) is a fundamental problem in robotics that asks us to compute collision-free paths for a team of agents, all moving across a shared map. Although many works appear on this topic, all current algorithms struggle as the number of agents grows. The principal reason is that existing approaches typically plan free-flow optimal paths, which creates congestion. To tackle this issue, we propose a new approach for MAPF where agents are guided to their destination by following congestion-avoiding paths. We evaluate the idea in two large-scale settings: one-shot MAPF, where each agent has a single destination, and lifelong MAPF, where agents are continuously assigned new destinations. Empirically, we report large improvements in solution quality for one-short MAPF and in overall throughput for lifelong MAPF.

Meta-Bayesian optimisation (meta-BO) aims to improve the sample efficiency of Bayesian optimisation by leveraging data from related tasks. While previous methods successfully meta-learn either a surrogate model or an acquisition function independently, joint training of both components remains an open challenge. This paper proposes the first end-to-end differentiable meta-BO framework that generalises neural processes to learn acquisition functions via transformer architectures. We enable this end-to-end framework with reinforcement learning (RL) to tackle the lack of labelled acquisition data. Early on, we notice that training transformer-based neural processes from scratch with RL is challenging due to insufficient supervision, especially when rewards are sparse. We formalise this claim with a combinatorial analysis showing that the widely used notion of regret as a reward signal exhibits a logarithmic sparsity pattern in trajectory lengths. To tackle this problem, we augment the RL objective with an auxiliary task that guides part of the architecture to learn a valid probabilistic model as an inductive bias. We demonstrate that our method achieves state-of-the-art regret results against various baselines in experiments on standard hyperparameter optimisation tasks and also outperforms others in the real-world problems of mixed-integer programming tuning, antibody design, and logic synthesis for electronic design automation.

Counterexample-guided repair aims at creating neural networks with mathematical safety guarantees, facilitating the application of neural networks in safety-critical domains. However, whether counterexample-guided repair is guaranteed to terminate remains an open question. We approach this question by showing that counterexample-guided repair can be viewed as a robust optimisation algorithm. While termination guarantees for neural network repair itself remain beyond our reach, we prove termination for more restrained machine learning models and disprove termination in a general setting. We empirically study the practical implications of our theoretical results, demonstrating the suitability of common verifiers and falsifiers for repair despite a disadvantageous theoretical result. Additionally, we use our theoretical insights to devise a novel algorithm for repairing linear regression models based on quadratic programming, surpassing existing approaches.

Tremendous progress has been made in reinforcement learning (RL) over the past decade. Most of these advancements came through the continual development of new algorithms, which were designed using a combination of mathematical derivations, intuitions, and experimentation. Such an approach of creating algorithms manually is limited by human understanding and ingenuity. In contrast, meta-learning provides a toolkit for automatic machine learning method optimisation, potentially addressing this flaw. However, black-box approaches which attempt to discover RL algorithms with minimal prior structure have thus far not outperformed existing hand-crafted algorithms. Mirror Learning, which includes RL algorithms, such as PPO, offers a potential middle-ground starting point: while every method in this framework comes with theoretical guarantees, components that differentiate them are subject to design. In this paper we explore the Mirror Learning space by meta-learning a "drift" function. We refer to the immediate result as Learnt Policy Optimisation (LPO). By analysing LPO we gain original insights into policy optimisation which we use to formulate a novel, closed-form RL algorithm, Discovered Policy Optimisation (DPO). Our experiments in Brax environments confirm state-of-the-art performance of LPO and DPO, as well as their transfer to unseen settings.

It is often very challenging to manually design reward functions for complex, real-world tasks. To solve this, one can instead use reward learning to infer a reward function from data. However, there are often multiple reward functions that fit the data equally well, even in the infinite-data limit. This means that the reward function is only partially identifiable. In this work, we formally characterise the partial identifiability of the reward function given several popular reward learning data sources, including expert demonstrations and trajectory comparisons. We also analyse the impact of this partial identifiability for several downstream tasks, such as policy optimisation. We unify our results in a framework for comparing data sources and downstream tasks by their invariances, with implications for the design and selection of data sources for reward learning.

Batch Bayesian optimisation (BO) is a successful technique for the optimisation of expensive black-box functions. Asynchronous BO can reduce wallclock time by starting a new evaluation as soon as another finishes, thus maximising resource utilisation. To maximise resource allocation, we develop a novel asynchronous BO method, AEGiS (Asynchronous epsilon-Greedy Global Search) that combines greedy search, exploiting the surrogate's mean prediction, with Thompson sampling and random selection from the approximate Pareto set describing the trade-off between exploitation (surrogate mean prediction) and exploration (surrogate posterior variance). We demonstrate empirically the efficacy of AEGiS on synthetic benchmark problems, meta-surrogate hyperparameter tuning problems and real-world problems, showing that AEGiS generally outperforms existing methods for asynchronous BO. When a single worker is available performance is no worse than BO using expected improvement.

Current neural architecture search (NAS) strategies focus only on finding a single, good, architecture. They offer little insight into why a specific network is performing well, or how we should modify the architecture if we want further improvements. We propose a Bayesian optimisation (BO) approach for NAS that combines the Weisfeiler-Lehman graph kernel with a Gaussian process surrogate. Our method optimises the architecture in a highly data-efficient manner: it is capable of capturing the topological structures of the architectures and is scalable to large graphs, thus making the high-dimensional and graph-like search spaces amenable to BO. More importantly, our method affords interpretability by discovering useful network features and their corresponding impact on the network performance. Indeed, we demonstrate empirically that our surrogate model is capable of identifying useful motifs which can guide the generation of new architectures. We finally show that our method outperforms existing NAS approaches to achieve the state of the art on both closed- and open-domain search spaces.

While fine-tuning of pre-trained language models generally helps to overcome the lack of labelled training samples, it also displays model performance instability. This instability mainly originates from randomness in initialisation or data shuffling. To address this, researchers either modify the training process or augment the available samples, which typically results in increased computational costs. We propose a new mitigation strategy, called Delayed Ensemble with Noisy Interpolation (DENI), that leverages the strengths of ensembling, noise regularisation and model interpolation, while retaining computational efficiency. We compare DENI with 9 representative mitigation strategies across 3 models, 4 tuning strategies and 7 text classification datasets. We show that: 1) DENI outperforms the best performing mitigation strategy (Ensemble), while using only a fraction of its cost; 2) the mitigation strategies are beneficial for parameter-efficient fine-tuning (PEFT) methods, outperforming full fine-tuning in specific cases; and 3) combining DENI with data augmentation often leads to even more effective instability mitigation.

The performance of acquisition functions for Bayesian optimisation to locate the global optimum of continuous functions is investigated in terms of the Pareto front between exploration and exploitation. We show that Expected Improvement (EI) and the Upper Confidence Bound (UCB) always select solutions to be expensively evaluated on the Pareto front, but Probability of Improvement is not guaranteed to do so and Weighted Expected Improvement does so only for a restricted range of weights. We introduce two novel epsilon-greedy acquisition functions. Extensive empirical evaluation of these together with random search, purely exploratory, and purely exploitative search on 10 benchmark problems in 1 to 10 dimensions shows that epsilon-greedy algorithms are generally at least as effective as conventional acquisition functions (e.g., EI and UCB), particularly with a limited budget. In higher dimensions epsilon-greedy approaches are shown to have improved performance over conventional approaches. These results are borne out on a real world computational fluid dynamics optimisation problem and a robotics active learning problem. Our analysis and experiments suggest that the most effective strategy, particularly in higher dimensions, is to be mostly greedy, occasionally selecting a random exploratory solution.

Tobasco et al. [Physics Letters A, 382:382-386, 2018; see https://doi.org/10.1016/j.physleta.2017.12.023] recently suggested that trajectories of ODE systems that optimize the infinite-time average of a certain observable can be localized using sublevel sets of a function that arise when bounding such averages using so-called auxiliary functions. In this paper we demonstrate that this idea is viable and allows for the computation of extremal unstable periodic orbits (UPOs) for polynomial ODE systems. First, we prove that polynomial optimization is guaranteed to produce auxiliary functions that yield near-sharp bounds on time averages, which is required in order to localize the extremal orbit accurately. Second, we show that points inside the relevant sublevel sets can be computed efficiently through direct nonlinear optimization. Such points provide good initial conditions for UPO computations. As a proof of concept, we then combine these methods with a single-shooting Newton-Raphson algorithm to study extremal UPOs for a nine-dimensional model of sinusoidally forced shear flow. We discover three previously unknown families of UPOs, one of which simultaneously minimizes the mean energy dissipation rate and maximizes the mean perturbation energy relative to the laminar state for Reynolds numbers approximately between 81.24 and 125.

The advancement of natural language processing (NLP) has been significantly boosted by the development of transformer-based large language models (LLMs). These models have revolutionized NLP tasks, particularly in code generation, aiding developers in creating software with enhanced efficiency. Despite their advancements, challenges in balancing code snippet generation with effective test case generation and execution persist. To address these issues, this paper introduces Multi-Agent Assistant Code Generation (AgentCoder), a novel solution comprising a multi-agent framework with specialized agents: the programmer agent, the test designer agent, and the test executor agent. During the coding procedure, the programmer agent will focus on the code generation and refinement based on the test executor agent's feedback. The test designer agent will generate test cases for the generated code, and the test executor agent will run the code with the test cases and write the feedback to the programmer. This collaborative system ensures robust code generation, surpassing the limitations of single-agent models and traditional methodologies. Our extensive experiments on 9 code generation models and 12 enhancement approaches showcase AgentCoder's superior performance over existing code generation models and prompt engineering techniques across various benchmarks. For example, AgentCoder achieves 77.4% and 89.1% pass@1 in HumanEval-ET and MBPP-ET with GPT-3.5, while SOTA baselines obtain only 69.5% and 63.0%.

Automated machine learning (AutoML) systems commonly ensemble models post hoc to improve predictive performance, typically via greedy ensemble selection (GES). However, we believe that GES may not always be optimal, as it performs a simple deterministic greedy search. In this work, we introduce two novel population-based ensemble selection methods, QO-ES and QDO-ES, and compare them to GES. While QO-ES optimises solely for predictive performance, QDO-ES also considers the diversity of ensembles within the population, maintaining a diverse set of well-performing ensembles during optimisation based on ideas of quality diversity optimisation. The methods are evaluated using 71 classification datasets from the AutoML benchmark, demonstrating that QO-ES and QDO-ES often outrank GES, albeit only statistically significant on validation data. Our results further suggest that diversity can be beneficial for post hoc ensembling but also increases the risk of overfitting.

Ensuring alignment of language models' outputs with human preferences is critical to guarantee a useful, safe, and pleasant user experience. Thus, human alignment has been extensively studied recently and several methods such as Reinforcement Learning from Human Feedback (RLHF), Direct Policy Optimisation (DPO) and Sequence Likelihood Calibration (SLiC) have emerged. In this paper, our contribution is two-fold. First, we show the equivalence between two recent alignment methods, namely Identity Policy Optimisation (IPO) and Nash Mirror Descent (Nash-MD). Second, we introduce a generalisation of IPO, named IPO-MD, that leverages the regularised sampling approach proposed by Nash-MD. This equivalence may seem surprising at first sight, since IPO is an offline method whereas Nash-MD is an online method using a preference model. However, this equivalence can be proven when we consider the online version of IPO, that is when both generations are sampled by the online policy and annotated by a trained preference model. Optimising the IPO loss with such a stream of data becomes then equivalent to finding the Nash equilibrium of the preference model through self-play. Building on this equivalence, we introduce the IPO-MD algorithm that generates data with a mixture policy (between the online and reference policy) similarly as the general Nash-MD algorithm. We compare online-IPO and IPO-MD to different online versions of existing losses on preference data such as DPO and SLiC on a summarisation task.

Learning decompositions of expensive-to-evaluate black-box functions promises to scale Bayesian optimisation (BO) to high-dimensional problems. However, the success of these techniques depends on finding proper decompositions that accurately represent the black-box. While previous works learn those decompositions based on data, we investigate data-independent decomposition sampling rules in this paper. We find that data-driven learners of decompositions can be easily misled towards local decompositions that do not hold globally across the search space. Then, we formally show that a random tree-based decomposition sampler exhibits favourable theoretical guarantees that effectively trade off maximal information gain and functional mismatch between the actual black-box and its surrogate as provided by the decomposition. Those results motivate the development of the random decomposition upper-confidence bound algorithm (RDUCB) that is straightforward to implement - (almost) plug-and-play - and, surprisingly, yields significant empirical gains compared to the previous state-of-the-art on a comprehensive set of benchmarks. We also confirm the plug-and-play nature of our modelling component by integrating our method with HEBO, showing improved practical gains in the highest dimensional tasks from Bayesmark.

We examine the connections between deterministic, complete, and general global optimisation of continuous functions and a general concept of regression from the perspective of constructive type theory via the concept of 'searchability'. We see how the property of convergence of global optimisation is a straightforward consequence of searchability. The abstract setting allows us to generalise searchability and continuity to higher-order functions, so that we can formulate novel convergence criteria for regression, derived from the convergence of global optimisation. All the theory and the motivating examples are fully formalised in the proof assistant Agda.

To advance the circular economy (CE), it is crucial to gain insights into the evolution of public attention, cognitive pathways of the masses concerning circular products, and to identify primary concerns. To achieve this, we collected data from diverse platforms, including Twitter, Reddit, and The Guardian, and utilised three topic models to analyse the data. Given the performance of topic modelling may vary depending on hyperparameter settings, this research proposed a novel framework that integrates twin (single and multi-objective) hyperparameter optimisation for the CE. We conducted systematic experiments to ensure that topic models are set with appropriate hyperparameters under different constraints, providing valuable insights into the correlations between CE and public attention. In summary, our optimised model reveals that public remains concerned about the economic impacts of sustainability and circular practices, particularly regarding recyclable materials and environmentally sustainable technologies. The analysis shows that the CE has attracted significant attention on The Guardian, especially in topics related to sustainable development and environmental protection technologies, while discussions are comparatively less active on Twitter. These insights highlight the need for policymakers to implement targeted education programs, create incentives for businesses to adopt CE principles, and enforce more stringent waste management policies alongside improved recycling processes.

The application of Reinforcement Learning with Verifiable Rewards (RLVR) to mathematical and coding domains has demonstrated significant improvements in the reasoning and problem-solving abilities of Large Language Models. Despite its success in single generation problem solving, the reinforcement learning fine-tuning process may harm the model's exploration ability, as reflected in decreased diversity of generations and a resulting degradation of performance during Best-of-N sampling for large N values. In this work, we focus on optimizing the max@k metric, a continuous generalization of pass@k. We derive an unbiased on-policy gradient estimate for direct optimization of this metric. Furthermore, we extend our derivations to the off-policy updates, a common element in modern RLVR algorithms, that allows better sample efficiency. Empirically, we show that our objective effectively optimizes max@k metric in off-policy scenarios, aligning the model with the Best-of-N inference strategy.

Task-oriented dialogue (ToD) systems are designed to help users achieve specific goals through natural language interaction. While recent advances in large language models (LLMs) have significantly improved linguistic fluency and contextual understanding, building effective and emotionally intelligent ToD systems remains a complex challenge. Effective ToD systems must optimise for task success, emotional understanding and responsiveness, and precise information conveyance, all within inherently noisy and ambiguous conversational environments. In this work, we investigate architectural, representational, optimisational as well as emotional considerations of ToD systems. We set up systems covering these design considerations with a challenging evaluation environment composed of a natural-language user simulator coupled with an imperfect natural language understanding module. We propose LUSTER, an LLM-based Unified System for Task-oriented dialogue with End-to-end Reinforcement learning with both short-term (user sentiment) and long-term (task success) rewards. Our findings demonstrate that combining LLM capability with structured reward modelling leads to more resilient and emotionally responsive ToD systems, offering a practical path forward for next-generation conversational agents.

There are growing implications surrounding generative AI in the speech domain that enable voice cloning and real-time voice conversion from one individual to another. This technology poses a significant ethical threat and could lead to breaches of privacy and misrepresentation, thus there is an urgent need for real-time detection of AI-generated speech for DeepFake Voice Conversion. To address the above emerging issues, the DEEP-VOICE dataset is generated in this study, comprised of real human speech from eight well-known figures and their speech converted to one another using Retrieval-based Voice Conversion. Presenting as a binary classification problem of whether the speech is real or AI-generated, statistical analysis of temporal audio features through t-testing reveals that there are significantly different distributions. Hyperparameter optimisation is implemented for machine learning models to identify the source of speech. Following the training of 208 individual machine learning models over 10-fold cross validation, it is found that the Extreme Gradient Boosting model can achieve an average classification accuracy of 99.3% and can classify speech in real-time, at around 0.004 milliseconds given one second of speech. All data generated for this study is released publicly for future research on AI speech detection.

The dominant framework for alignment of large language models (LLM), whether through reinforcement learning from human feedback or direct preference optimisation, is to learn from preference data. This involves building datasets where each element is a quadruplet composed of a prompt, two independent responses (completions of the prompt) and a human preference between the two independent responses, yielding a preferred and a dis-preferred response. Such data is typically scarce and expensive to collect. On the other hand, single-trajectory datasets where each element is a triplet composed of a prompt, a response and a human feedback is naturally more abundant. The canonical element of such datasets is for instance an LLM's response to a user's prompt followed by a user's feedback such as a thumbs-up/down. Consequently, in this work, we propose DRO, or Direct Reward Optimisation, as a framework and associated algorithms that do not require pairwise preferences. DRO uses a simple mean-squared objective that can be implemented in various ways. We validate our findings empirically, using T5 encoder-decoder language models, and show DRO's performance over selected baselines such as Kahneman-Tversky Optimization (KTO). Thus, we confirm that DRO is a simple and empirically compelling method for single-trajectory policy optimisation.

Safety fine-tuning algorithms are commonly used to fine-tune language models to reduce harmful outputs, but the exact internal mechanisms of how those models achieve this remain unclear. In studying direct preference optimisation (DPO) for toxicity reduction, current explanations claim that DPO works by dampening the most toxic MLP neurons to learn an offset to avert toxic regions in the residual stream. However, by ablating the most toxic neurons and applying activation patching, we find this explanation incomplete. By projecting neuron activation changes onto a toxicity probe, we find that only 31.8\% of toxicity reduction comes from dampened toxic neurons. Instead, DPO reduces toxicity by accumulating effects across multiple neuron groups, both reducing writing in the toxic direction and promoting anti-toxicity in the residual stream. Moreover, DPO gives noisy adjustments to neuron activations, with many neurons actually increasing toxicity. This indicates that DPO is a balancing process between opposing neuron effects to achieve toxicity reduction.

Large pretrained language models are widely used in downstream NLP tasks via task-specific fine-tuning, but such procedures can be costly. Recently, Parameter-Efficient Fine-Tuning (PEFT) methods have achieved strong task performance while updating a much smaller number of parameters compared to full model fine-tuning (FFT). However, it is non-trivial to make informed design choices on the PEFT configurations, such as their architecture, the number of tunable parameters, and even the layers in which the PEFT modules are inserted. Consequently, it is highly likely that the current, manually designed configurations are suboptimal in terms of their performance-efficiency trade-off. Inspired by advances in neural architecture search, we propose AutoPEFT for automatic PEFT configuration selection: we first design an expressive configuration search space with multiple representative PEFT modules as building blocks. Using multi-objective Bayesian optimisation in a low-cost setup, we then discover a Pareto-optimal set of configurations with strong performance-cost trade-offs across different numbers of parameters that are also highly transferable across different tasks. Empirically, on GLUE and SuperGLUE tasks, we show that AutoPEFT-discovered configurations significantly outperform existing PEFT methods and are on par or better than FFT, without incurring substantial training efficiency costs.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

Training large language models (LLMs) with reinforcement learning (RL) methods such as PPO and GRPO commonly relies on ratio clipping to stabilise updates. While effective at preventing instability, clipping discards information and introduces gradient discontinuities. We propose Probability Smoothing Policy Optimisation (PSPO), which smooths the current policy's probabilities toward the old (behaviour) policy before computing the importance ratio, analogous to label smoothing. Unlike clipping, PSPO preserves gradient signal, while interpolation toward the old policy creates a soft trust region that discourages large, destabilising updates, with formal guarantees. We instantiate PSPO within GRPO (GR-PSPO) and fine-tune Qwen2.5-0.5B and Qwen2.5-1.5B on GSM8K, evaluating on GSM8K test and the cross-dataset generalisation on SVAMP, ASDiv, and MATH-500. Relative to unclipped GRPO (single iteration; no data reuse, ratio always = 1), GR-PSPO achieves similar performance but improves the reasoning leading to clearer and more concise responses which are more logical. Compared to clipped GRPO, GR-PSPO substantially improves performance both the 0.5B and 1.5B models, with a boost of over 20% on GSM8K (39.7% vs. 17.6% for 0.5B, 59.4% vs. 37.8% for 1.5B).

The paper introduces the weighted convolution, a novel approach to the convolution for signals defined on regular grids (e.g., 2D images) through the application of an optimal density function to scale the contribution of neighbouring pixels based on their distance from the central pixel. This choice differs from the traditional uniform convolution, which treats all neighbouring pixels equally. Our weighted convolution can be applied to convolutional neural network problems to improve the approximation accuracy. Given a convolutional network, we define a framework to compute the optimal density function through a minimisation model. The framework separates the optimisation of the convolutional kernel weights (using stochastic gradient descent) from the optimisation of the density function (using DIRECT-L). Experimental results on a learning model for an image-to-image task (e.g., image denoising) show that the weighted convolution significantly reduces the loss (up to 53% improvement) and increases the test accuracy compared to standard convolution. While this method increases execution time by 11%, it is robust across several hyperparameters of the learning model. Future work will apply the weighted convolution to real-case 2D and 3D image convolutional learning problems.

Direct Preference Optimisation (DPO) has emerged as a powerful method for aligning Large Language Models (LLMs) with human preferences, offering a stable and efficient alternative to approaches that use Reinforcement learning via Human Feedback. In this work, we investigate the performance of DPO using open-source preference datasets. One of the major drawbacks of DPO is that it doesn't induce granular scoring and treats all the segments of the responses with equal propensity. However, this is not practically true for human preferences since even "good" responses have segments that may not be preferred by the annotator. To resolve this, a 2-dimensional scoring for DPO alignment called 2D-DPO was proposed. We explore the 2D-DPO alignment paradigm and the advantages it provides over the standard DPO by comparing their win rates. It is observed that these methods, even though effective, are not robust to label/score noise. To counter this, we propose an approach of incorporating segment-level score noise robustness to the 2D-DPO algorithm. Along with theoretical backing, we also provide empirical verification in favour of the algorithm and introduce other noise models that can be present.

We study the optimisation problem associated with Gaussian process regression using squared loss. The most common approach to this problem is to apply an exact solver, such as conjugate gradient descent, either directly, or to a reduced-order version of the problem. Recently, driven by successes in deep learning, stochastic gradient descent has gained traction as an alternative. In this paper, we show that when done rightx2014by which we mean using specific insights from the optimisation and kernel communitiesx2014this approach is highly effective. We thus introduce a particular stochastic dual gradient descent algorithm, that may be implemented with a few lines of code using any deep learning framework. We explain our design decisions by illustrating their advantage against alternatives with ablation studies and show that the new method is highly competitive. Our evaluations on standard regression benchmarks and a Bayesian optimisation task set our approach apart from preconditioned conjugate gradients, variational Gaussian process approximations, and a previous version of stochastic gradient descent for Gaussian processes. On a molecular binding affinity prediction task, our method places Gaussian process regression on par in terms of performance with state-of-the-art graph neural networks.

Black box optimisation of an unknown function from expensive and noisy evaluations is a ubiquitous problem in machine learning, academic research and industrial production. An abstraction of the problem can be formulated as a kernel based bandit problem (also known as Bayesian optimisation), where a learner aims at optimising a kernelized function through sequential noisy observations. The existing work predominantly assumes feedback is immediately available; an assumption which fails in many real world situations, including recommendation systems, clinical trials and hyperparameter tuning. We consider a kernel bandit problem under stochastically delayed feedback, and propose an algorithm with mathcal{O}(Gamma_k(T)T+E[tau]) regret, where T is the number of time steps, Gamma_k(T) is the maximum information gain of the kernel with T observations, and tau is the delay random variable. This represents a significant improvement over the state of the art regret bound of mathcal{O}(Gamma_k(T)T+E[tau]Gamma_k(T)) reported in Verma et al. (2022). In particular, for very non-smooth kernels, the information gain grows almost linearly in time, trivializing the existing results. We also validate our theoretical results with simulations.

Spiking neural networks (SNNs), a variant of artificial neural networks (ANNs) with the benefit of energy efficiency, have achieved the accuracy close to its ANN counterparts, on benchmark datasets such as CIFAR10/100 and ImageNet. However, comparing with frame-based input (e.g., images), event-based inputs from e.g., Dynamic Vision Sensor (DVS) can make a better use of SNNs thanks to the SNNs' asynchronous working mechanism. In this paper, we strengthen the marriage between SNNs and event-based inputs with a proposal to consider anytime optimal inference SNNs, or AOI-SNNs, which can terminate anytime during the inference to achieve optimal inference result. Two novel optimisation techniques are presented to achieve AOI-SNNs: a regularisation and a cutoff. The regularisation enables the training and construction of SNNs with optimised performance, and the cutoff technique optimises the inference of SNNs on event-driven inputs. We conduct an extensive set of experiments on multiple benchmark event-based datasets, including CIFAR10-DVS, N-Caltech101 and DVS128 Gesture. The experimental results demonstrate that our techniques are superior to the state-of-the-art with respect to the accuracy and latency.

This article explores the usage of the state-of-art neural network Mask R-CNN to be used for window detection of texture files from the CityGML model of Berlin. As texture files are very irregular in terms of size, exposure settings and orientation, we use several parameter optimisation methods to improve the precision. Those textures are cropped from aerial photos, which implies that the angle of the facade, the exposure as well as contrast are calibrated towards the mean and not towards the single facade. The analysis of a single texture image with the human eye itself is challenging: A combination of window and facade estimation and perspective analysis is necessary in order to determine the facades and windows. We train and detect bounding boxes and masks from two data sets with image size 128 and 256. We explore various configuration optimisation methods and the relation of the Region Proposal Network, detected ROIs and the mask output. Our final results shows that the we can improve the average precision scores for both data set sizes, yet the initial AP score varies and leads to different resulting scores.

Computational sensing strategies often suffer from calibration errors in the physical implementation of their ideal sensing models. Such uncertainties are typically addressed by using multiple, accurately chosen training signals to recover the missing information on the sensing model, an approach that can be resource-consuming and cumbersome. Conversely, blind calibration does not employ any training signal, but corresponds to a bilinear inverse problem whose algorithmic solution is an open issue. We here address blind calibration as a non-convex problem for linear random sensing models, in which we aim to recover an unknown signal from its projections on sub-Gaussian random vectors, each subject to an unknown positive multiplicative factor (or gain). To solve this optimisation problem we resort to projected gradient descent starting from a suitable, carefully chosen initialisation point. An analysis of this algorithm allows us to show that it converges to the exact solution provided a sample complexity requirement is met, i.e., relating convergence to the amount of information collected during the sensing process. Interestingly, we show that this requirement grows linearly (up to log factors) in the number of unknowns of the problem. This sample complexity is found both in absence of prior information, as well as when subspace priors are available for both the signal and gains, allowing a further reduction of the number of observations required for our recovery guarantees to hold. Moreover, in the presence of noise we show how our descent algorithm yields a solution whose accuracy degrades gracefully with the amount of noise affecting the measurements. Finally, we present some numerical experiments in an imaging context, where our algorithm allows for a simple solution to blind calibration of the gains in a sensor array.

Latent diffusion models are the state-of-the-art for synthetic image generation. To align these models with human preferences, training the models using reinforcement learning on human feedback is crucial. Black et. al 2024 introduced denoising diffusion policy optimisation (DDPO), which accounts for the iterative denoising nature of the generation by modelling it as a Markov chain with a final reward. As the reward is a single value that determines the model's performance on the entire image, the model has to navigate a very sparse reward landscape and so requires a large sample count. In this work, we extend the DDPO by presenting the Pixel-wise Policy Optimisation (PXPO) algorithm, which can take feedback for each pixel, providing a more nuanced reward to the model.

Simulated annealing (SA) is a stochastic global optimisation technique applicable to a wide range of discrete and continuous variable problems. Despite its simplicity, the development of an effective SA optimiser for a given problem hinges on a handful of carefully handpicked components; namely, neighbour proposal distribution and temperature annealing schedule. In this work, we view SA from a reinforcement learning perspective and frame the proposal distribution as a policy, which can be optimised for higher solution quality given a fixed computational budget. We demonstrate that this Neural SA with such a learnt proposal distribution, parametrised by small equivariant neural networks, outperforms SA baselines on a number of problems: Rosenbrock's function, the Knapsack problem, the Bin Packing problem, and the Travelling Salesperson problem. We also show that Neural SA scales well to large problems - generalising to significantly larger problems than the ones seen during training - while achieving comparable performance to popular off-the-shelf solvers and other machine learning methods in terms of solution quality and wall-clock time.

We introduce Evolution Guided General Optimization via Low-rank Learning (EGGROLL), an evolution strategies (ES) algorithm designed to scale backprop-free optimization to large population sizes for modern large neural network architectures with billions of parameters. ES is a set of powerful blackbox optimisation methods that can handle non-differentiable or noisy objectives with excellent scaling potential through parallelisation. Na{ï}ve ES becomes prohibitively expensive at scale due to the computational and memory costs associated with generating matrix perturbations EinR^{mtimes n} and the batched matrix multiplications needed to compute per-member forward passes. EGGROLL overcomes these bottlenecks by generating random matrices Ain R^{mtimes r}, Bin R^{ntimes r} with rll min(m,n) to form a low-rank matrix perturbation A B^top that are used in place of the full-rank perturbation E. As the overall update is an average across a population of N workers, this still results in a high-rank update but with significant memory and computation savings, reducing the auxiliary storage from mn to r(m+n) per layer and the cost of a forward pass from O(mn) to O(r(m+n)) when compared to full-rank ES. A theoretical analysis reveals our low-rank update converges to the full-rank update at a fast Oleft(1{r}right) rate. Our experiments show that (1) EGGROLL does not compromise the performance of ES in tabula-rasa RL settings, despite being faster, (2) it is competitive with GRPO as a technique for improving LLM reasoning, and (3) EGGROLL enables stable pre-training of nonlinear recurrent language models that operate purely in integer datatypes.

The prevalent deployment of learning from human preferences through reinforcement learning (RLHF) relies on two important approximations: the first assumes that pairwise preferences can be substituted with pointwise rewards. The second assumes that a reward model trained on these pointwise rewards can generalize from collected data to out-of-distribution data sampled by the policy. Recently, Direct Preference Optimisation (DPO) has been proposed as an approach that bypasses the second approximation and learn directly a policy from collected data without the reward modelling stage. However, this method still heavily relies on the first approximation. In this paper we try to gain a deeper theoretical understanding of these practical algorithms. In particular we derive a new general objective called PsiPO for learning from human preferences that is expressed in terms of pairwise preferences and therefore bypasses both approximations. This new general objective allows us to perform an in-depth analysis of the behavior of RLHF and DPO (as special cases of PsiPO) and to identify their potential pitfalls. We then consider another special case for PsiPO by setting Psi simply to Identity, for which we can derive an efficient optimisation procedure, prove performance guarantees and demonstrate its empirical superiority to DPO on some illustrative examples.

Sphere packing, Hilbert's eighteenth problem, asks for the densest arrangement of congruent spheres in n-dimensional Euclidean space. Although relevant to areas such as cryptography, crystallography, and medical imaging, the problem remains unresolved: beyond a few special dimensions, neither optimal packings nor tight upper bounds are known. Even a major breakthrough in dimension n=8, later recognised with a Fields Medal, underscores its difficulty. A leading technique for upper bounds, the three-point method, reduces the problem to solving large, high-precision semidefinite programs (SDPs). Because each candidate SDP may take days to evaluate, standard data-intensive AI approaches are infeasible. We address this challenge by formulating SDP construction as a sequential decision process, the SDP game, in which a policy assembles SDP formulations from a set of admissible components. Using a sample-efficient model-based framework that combines Bayesian optimisation with Monte Carlo Tree Search, we obtain new state-of-the-art upper bounds in dimensions 4-16, showing that model-based search can advance computational progress in longstanding geometric problems. Together, these results demonstrate that sample-efficient, model-based search can make tangible progress on mathematically rigid, evaluation limited problems, pointing towards a complementary direction for AI-assisted discovery beyond large-scale LLM-driven exploration.

The stability of mine dumps is contingent upon the precise arrangement of spoil piles, taking into account their geological and geotechnical attributes. Yet, on-site characterisation of individual piles poses a formidable challenge. The utilisation of image-based techniques for spoil pile characterisation, employing remotely acquired data through unmanned aerial systems, is a promising complementary solution. Image processing, such as object-based classification and feature extraction, are dependent upon effective segmentation. This study refines and juxtaposes various segmentation approaches, specifically colour-based and morphology-based techniques. The objective is to enhance and evaluate avenues for object-based analysis for spoil characterisation within the context of mining environments. Furthermore, a comparative analysis is conducted between conventional segmentation approaches and those rooted in deep learning methodologies. Among the diverse segmentation approaches evaluated, the morphology-based deep learning segmentation approach, Segment Anything Model (SAM), exhibited superior performance in comparison to other approaches. This outcome underscores the efficacy of incorporating advanced morphological and deep learning techniques for accurate and efficient spoil pile characterisation. The findings of this study contribute valuable insights to the optimisation of segmentation strategies, thereby advancing the application of image-based techniques for the characterisation of spoil piles in mining environments.

Training models with robust group fairness properties is crucial in ethically sensitive application areas such as medical diagnosis. Despite the growing body of work aiming to minimise demographic bias in AI, this problem remains challenging. A key reason for this challenge is the fairness generalisation gap: High-capacity deep learning models can fit all training data nearly perfectly, and thus also exhibit perfect fairness during training. In this case, bias emerges only during testing when generalisation performance differs across subgroups. This motivates us to take a bi-level optimisation perspective on fair learning: Optimising the learning strategy based on validation fairness. Specifically, we consider the highly effective workflow of adapting pre-trained models to downstream medical imaging tasks using parameter-efficient fine-tuning (PEFT) techniques. There is a trade-off between updating more parameters, enabling a better fit to the task of interest vs. fewer parameters, potentially reducing the generalisation gap. To manage this tradeoff, we propose FairTune, a framework to optimise the choice of PEFT parameters with respect to fairness. We demonstrate empirically that FairTune leads to improved fairness on a range of medical imaging datasets. The code is available at https://github.com/Raman1121/FairTune

Variational algorithms require architectures that naturally constrain the optimisation space to run efficiently. In geometric quantum machine learning, one achieves this by encoding group structure into parameterised quantum circuits to include the symmetries of a problem as an inductive bias. However, constructing such circuits is challenging as a concrete guiding principle has yet to emerge. In this paper, we propose the use of spin networks, a form of directed tensor network invariant under a group transformation, to devise SU(2) equivariant quantum circuit ans\"atze -- circuits possessing spin rotation symmetry. By changing to the basis that block diagonalises SU(2) group action, these networks provide a natural building block for constructing parameterised equivariant quantum circuits. We prove that our construction is mathematically equivalent to other known constructions, such as those based on twirling and generalised permutations, but more direct to implement on quantum hardware. The efficacy of our constructed circuits is tested by solving the ground state problem of SU(2) symmetric Heisenberg models on the one-dimensional triangular lattice and on the Kagome lattice. Our results highlight that our equivariant circuits boost the performance of quantum variational algorithms, indicating broader applicability to other real-world problems.

Large language models (LLMs) have achieved remarkable success in a wide range of natural language processing tasks and can be adapted through prompting. However, they remain suboptimal in multi-turn interactions, often relying on incorrect early assumptions and failing to track user goals over time, which makes such tasks particularly challenging. Prior works in dialogue systems have shown that long-term planning is essential for handling interactive tasks. In this work, we propose a prompt optimisation framework inspired by reinforcement learning, which enables such planning to take place by only modifying the task instruction prompt of the LLM-based agent. By generating turn-by-turn feedback and leveraging experience replay for prompt rewriting, our proposed method shows significant improvement in multi-turn tasks such as text-to-SQL and task-oriented dialogue. Moreover, it generalises across different LLM-based agents and can leverage diverse LLMs as meta-prompting agents. This warrants future research in reinforcement learning-inspired parameter-free optimisation methods.

Video Temporal Grounding (TG) aims to temporally locate video segments matching a natural language description (a query) in a long video. While Vision-Language Models (VLMs) are effective at holistic semantic matching, they often struggle with fine-grained temporal localisation. Recently, Group Relative Policy Optimisation (GRPO) reformulates the inference process as a reinforcement learning task, enabling fine-grained grounding and achieving strong in-domain performance. However, GRPO relies on labelled data, making it unsuitable in unlabelled domains. Moreover, because videos are large and expensive to store and process, performing full-scale adaptation introduces prohibitive latency and computational overhead, making it impractical for real-time deployment. To overcome both problems, we introduce a Data-Efficient Unlabelled Cross-domain Temporal Grounding method, from which a model is first trained on a labelled source domain, then adapted to a target domain using only a small number of unlabelled videos from the target domain. This approach eliminates the need for target annotation and keeps both computational and storage overhead low enough to run in real time. Specifically, we introduce. Uncertainty-quantified Rollout Policy Adaptation (URPA) for cross-domain knowledge transfer in learning video temporal grounding without target labels. URPA generates multiple candidate predictions using GRPO rollouts, averages them to form a pseudo label, and estimates confidence from the variance across these rollouts. This confidence then weights the training rewards, guiding the model to focus on reliable supervision. Experiments on three datasets across six cross-domain settings show that URPA generalises well using only a few unlabelled target videos. Codes will be released once published.

Traditional Learning-To-Rank (LETOR) approaches, including pairwise methods like RankNet and LambdaMART, often fall short by solely focusing on pairwise comparisons, leading to sub-optimal global rankings. Conversely, deep learning based listwise methods, while aiming to optimise entire lists, require complex tuning and yield only marginal improvements over robust pairwise models. To overcome these limitations, we introduce Travelling Salesman Problem Rank (TSPRank), a hybrid pairwise-listwise ranking method. TSPRank reframes the ranking problem as a Travelling Salesman Problem (TSP), a well-known combinatorial optimisation challenge that has been extensively studied for its numerous solution algorithms and applications. This approach enables the modelling of pairwise relationships and leverages combinatorial optimisation to determine the listwise ranking. This approach can be directly integrated as an additional component into embeddings generated by existing backbone models to enhance ranking performance. Our extensive experiments across three backbone models on diverse tasks, including stock ranking, information retrieval, and historical events ordering, demonstrate that TSPRank significantly outperforms both pure pairwise and listwise methods. Our qualitative analysis reveals that TSPRank's main advantage over existing methods is its ability to harness global information better while ranking. TSPRank's robustness and superior performance across different domains highlight its potential as a versatile and effective LETOR solution.

General-purpose LLM judges capable of human-level evaluation provide not only a scalable and accurate way of evaluating instruction-following LLMs but also new avenues for supervising and improving their performance. One promising way of leveraging LLM judges for supervision is through Minimum Bayes Risk (MBR) decoding, which uses a reference-based evaluator to select a high-quality output from amongst a set of candidate outputs. In the first part of this work, we explore using MBR decoding as a method for improving the test-time performance of instruction-following LLMs. We find that MBR decoding with reference-based LLM judges substantially improves over greedy decoding, best-of-N decoding with reference-free judges and MBR decoding with lexical and embedding-based metrics on AlpacaEval and MT-Bench. These gains are consistent across LLMs with up to 70B parameters, demonstrating that smaller LLM judges can be used to supervise much larger LLMs. Then, seeking to retain the improvements from MBR decoding while mitigating additional test-time costs, we explore iterative self-training on MBR-decoded outputs. We find that self-training using Direct Preference Optimisation leads to significant performance gains, such that the self-trained models with greedy decoding generally match and sometimes exceed the performance of their base models with MBR decoding.

Humans can perform complex tasks with long-term objectives by planning, reasoning, and forecasting outcomes of actions. For embodied agents to achieve similar capabilities, they must gain knowledge of the environment transferable to novel scenarios with a limited budget of additional trial and error. Learning-based approaches, such as deep RL, can discover and take advantage of inherent regularities and characteristics of the application domain from data, and continuously improve their performances, however at a cost of large amounts of training data. This thesis explores the development of data-driven techniques for spatial reasoning and planning tasks, focusing on enhancing learning efficiency, interpretability, and transferability across novel scenarios. Four key contributions are made. 1) CALVIN, a differential planner that learns interpretable models of the world for long-term planning. It successfully navigated partially observable 3D environments, such as mazes and indoor rooms, by learning the rewards and state transitions from expert demonstrations. 2) SOAP, an RL algorithm that discovers options unsupervised for long-horizon tasks. Options segment a task into subtasks and enable consistent execution of the subtask. SOAP showed robust performances on history-conditional corridor tasks as well as classical benchmarks such as Atari. 3) LangProp, a code optimisation framework using LLMs to solve embodied agent problems that require reasoning by treating code as learnable policies. The framework successfully generated interpretable code with comparable or superior performance to human-written experts in the CARLA autonomous driving benchmark. 4) Voggite, an embodied agent with a vision-to-action transformer backend that solves complex tasks in Minecraft. It achieved third place in the MineRL BASALT Competition by identifying action triggers to segment tasks into multiple stages.

The activation function plays a crucial role in model optimisation, yet the optimal choice remains unclear. For example, the Sigmoid activation is the de-facto activation in balanced classification tasks, however, in imbalanced classification, it proves inappropriate due to bias towards frequent classes. In this work, we delve deeper in this phenomenon by performing a comprehensive statistical analysis in the classification and intermediate layers of both balanced and imbalanced networks and we empirically show that aligning the activation function with the data distribution, enhances the performance in both balanced and imbalanced tasks. To this end, we propose the Adaptive Parametric Activation (APA) function, a novel and versatile activation function that unifies most common activation functions under a single formula. APA can be applied in both intermediate layers and attention layers, significantly outperforming the state-of-the-art on several imbalanced benchmarks such as ImageNet-LT, iNaturalist2018, Places-LT, CIFAR100-LT and LVIS and balanced benchmarks such as ImageNet1K, COCO and V3DET. The code is available at https://github.com/kostas1515/AGLU.

Recently, evolutionary reinforcement learning has obtained much attention in various domains. Maintaining a population of actors, evolutionary reinforcement learning utilises the collected experiences to improve the behaviour policy through efficient exploration. However, the poor scalability of genetic operators limits the efficiency of optimising high-dimensional neural networks. To address this issue, this paper proposes a novel cooperative coevolutionary reinforcement learning (CoERL) algorithm. Inspired by cooperative coevolution, CoERL periodically and adaptively decomposes the policy optimisation problem into multiple subproblems and evolves a population of neural networks for each of the subproblems. Instead of using genetic operators, CoERL directly searches for partial gradients to update the policy. Updating policy with partial gradients maintains consistency between the behaviour spaces of parents and offspring across generations. The experiences collected by the population are then used to improve the entire policy, which enhances the sampling efficiency. Experiments on six benchmark locomotion tasks demonstrate that CoERL outperforms seven state-of-the-art algorithms and baselines. Ablation study verifies the unique contribution of CoERL's core ingredients.

Traffic incident detection plays a key role in intelligent transportation systems, which has gained great attention in transport engineering. In the past, traditional machine learning (ML) based detection methods achieved good performance under a centralised computing paradigm, where all data are transmitted to a central server for building ML models therein. Nowadays, deep neural networks based federated learning (FL) has become a mainstream detection approach to enable the model training in a decentralised manner while warranting local data governance. Such neural networks-centred techniques, however, have overshadowed the utility of well-established ML-based detection methods. In this work, we aim to explore the potential of potent conventional ML-based detection models in modern traffic scenarios featured by distributed data. We leverage an elegant but less explored distributed optimisation framework named Network Lasso, with guaranteed global convergence for convex problem formulations, integrate the potent convex ML model with it, and compare it with centralised learning, local learning, and federated learning methods atop a well-known traffic incident detection dataset. Experimental results show that the proposed network lasso-based approach provides a promising alternative to the FL-based approach in data-decentralised traffic scenarios, with a strong convergence guarantee while rekindling the significance of conventional ML-based detection methods.

Neural surface reconstruction is sensitive to the camera pose noise, even if state-of-the-art pose estimators like COLMAP or ARKit are used. More importantly, existing Pose-NeRF joint optimisation methods have struggled to improve pose accuracy in challenging real-world scenarios. To overcome the challenges, we introduce the pose residual field (PoRF), a novel implicit representation that uses an MLP for regressing pose updates. This is more robust than the conventional pose parameter optimisation due to parameter sharing that leverages global information over the entire sequence. Furthermore, we propose an epipolar geometry loss to enhance the supervision that leverages the correspondences exported from COLMAP results without the extra computational overhead. Our method yields promising results. On the DTU dataset, we reduce the rotation error by 78\% for COLMAP poses, leading to the decreased reconstruction Chamfer distance from 3.48mm to 0.85mm. On the MobileBrick dataset that contains casually captured unbounded 360-degree videos, our method refines ARKit poses and improves the reconstruction F1 score from 69.18 to 75.67, outperforming that with the dataset provided ground-truth pose (75.14). These achievements demonstrate the efficacy of our approach in refining camera poses and improving the accuracy of neural surface reconstruction in real-world scenarios.

Meta-learning empowers artificial intelligence to increase its efficiency by learning how to learn. Unlocking this potential involves overcoming a challenging meta-optimisation problem. We propose an algorithm that tackles this problem by letting the meta-learner teach itself. The algorithm first bootstraps a target from the meta-learner, then optimises the meta-learner by minimising the distance to that target under a chosen (pseudo-)metric. Focusing on meta-learning with gradients, we establish conditions that guarantee performance improvements and show that the metric can control meta-optimisation. Meanwhile, the bootstrapping mechanism can extend the effective meta-learning horizon without requiring backpropagation through all updates. We achieve a new state-of-the art for model-free agents on the Atari ALE benchmark and demonstrate that it yields both performance and efficiency gains in multi-task meta-learning. Finally, we explore how bootstrapping opens up new possibilities and find that it can meta-learn efficient exploration in an epsilon-greedy Q-learning agent, without backpropagating through the update rule.

A model involving Gaussian processes (GPs) is introduced to simultaneously handle multi-task learning, clustering, and prediction for multiple functional data. This procedure acts as a model-based clustering method for functional data as well as a learning step for subsequent predictions for new tasks. The model is instantiated as a mixture of multi-task GPs with common mean processes. A variational EM algorithm is derived for dealing with the optimisation of the hyper-parameters along with the hyper-posteriors' estimation of latent variables and processes. We establish explicit formulas for integrating the mean processes and the latent clustering variables within a predictive distribution, accounting for uncertainty on both aspects. This distribution is defined as a mixture of cluster-specific GP predictions, which enhances the performances when dealing with group-structured data. The model handles irregular grid of observations and offers different hypotheses on the covariance structure for sharing additional information across tasks. The performances on both clustering and prediction tasks are assessed through various simulated scenarios and real datasets. The overall algorithm, called MagmaClust, is publicly available as an R package.

Multi-modal Large Language Models (MLLMs) struggle with long videos due to the need for excessive visual tokens. These tokens exceed massively the context length of MLLMs, resulting in filled by redundant task-irrelevant shots. How to select shots is an unsolved critical problem: sparse sampling risks missing key details, while exhaustive sampling overwhelms the model with irrelevant content, leading to video misunderstanding. To solve this problem, we propose Chain-of-Shot prompting (CoS). The key idea is to frame shot selection as test-time visual prompt optimisation, choosing shots adaptive to video understanding semantic task by optimising shots-task alignment. CoS has two key parts: (1) a binary video summary mechanism that performs pseudo temporal grounding, discovering a binary coding to identify task-relevant shots, and (2) a video co-reasoning module that deploys the binary coding to pair (learning to align) task-relevant positive shots with irrelevant negative shots. It embeds the optimised shot selections into the original video, facilitating a focus on relevant context to optimize long video understanding. Experiments across three baselines and five datasets demonstrate the effectiveness and adaptability of CoS. Code given in https://lwpyh.github.io/CoS.

The Transformer architecture is shown to provide a powerful machine transduction framework for online handwritten gestures corresponding to glyph strokes of natural language sentences. The attention mechanism is successfully used to create latent representations of an end-to-end encoder-decoder model, solving multi-level segmentation while also learning some language features and syntax rules. The additional use of a large decoding space with some learned Byte-Pair-Encoding (BPE) is shown to provide robustness to ablated inputs and syntax rules. The encoder stack was directly fed with spatio-temporal data tokens potentially forming an infinitely large input vocabulary, an approach that finds applications beyond that of this work. Encoder transfer learning capabilities is also demonstrated on several languages resulting in faster optimisation and shared parameters. A new supervised dataset of online handwriting gestures suitable for generic handwriting recognition tasks was used to successfully train a small transformer model to an average normalised Levenshtein accuracy of 96% on English or German sentences and 94% in French.

This is the 1st part of the dissertation for my master degree and compares the power consumption using the default floating point (32bit) and Nvidia mixed precision (16bit and 32bit) while training a classification ML model. A custom PC with specific hardware was built to perform the experiments, and different ML hyper-parameters, such as batch size, neurons, and epochs, were chosen to build Deep Neural Networks (DNN). Additionally, various software was used during the experiments to collect the power consumption data in Watts from the Graphics Processing Unit (GPU), Central Processing Unit (CPU), Random Access Memory (RAM) and manually from a wattmeter connected to the wall. A benchmarking test with default hyper parameter values for the DNN was used as a reference, while the experiments used a combination of different settings. The results were recorded in Excel, and descriptive statistics were chosen to calculate the mean between the groups and compare them using graphs and tables. The outcome was positive when using mixed precision combined with specific hyper-parameters. Compared to the benchmarking, the optimisation for the classification reduced the power consumption between 7 and 11 Watts. Similarly, the carbon footprint is reduced because the calculation uses the same power consumption data. Still, a consideration is required when configuring hyper-parameters because it can negatively affect hardware performance. However, this research required inferential statistics, specifically ANOVA and T-test, to compare the relationship between the means. Furthermore, tests indicated no statistical significance of the relationship between the benchmarking and experiments. However, a more extensive implementation with a cluster of GPUs can increase the sample size significantly, as it is an essential factor and can change the outcome of the statistical analysis.

Modern Tabletop Games present various interesting challenges for Multi-agent Reinforcement Learning. In this paper, we introduce PyTAG, a new framework that supports interacting with a large collection of games implemented in the Tabletop Games framework. In this work we highlight the challenges tabletop games provide, from a game-playing agent perspective, along with the opportunities they provide for future research. Additionally, we highlight the technical challenges that involve training Reinforcement Learning agents on these games. To explore the Multi-agent setting provided by PyTAG we train the popular Proximal Policy Optimisation Reinforcement Learning algorithm using self-play on a subset of games and evaluate the trained policies against some simple agents and Monte-Carlo Tree Search implemented in the Tabletop Games framework.

Interpretability of Deep Learning (DL) is a barrier to trustworthy AI. Despite great efforts made by the Explainable AI (XAI) community, explanations lack robustness -- indistinguishable input perturbations may lead to different XAI results. Thus, it is vital to assess how robust DL interpretability is, given an XAI method. In this paper, we identify several challenges that the state-of-the-art is unable to cope with collectively: i) existing metrics are not comprehensive; ii) XAI techniques are highly heterogeneous; iii) misinterpretations are normally rare events. To tackle these challenges, we introduce two black-box evaluation methods, concerning the worst-case interpretation discrepancy and a probabilistic notion of how robust in general, respectively. Genetic Algorithm (GA) with bespoke fitness function is used to solve constrained optimisation for efficient worst-case evaluation. Subset Simulation (SS), dedicated to estimate rare event probabilities, is used for evaluating overall robustness. Experiments show that the accuracy, sensitivity, and efficiency of our methods outperform the state-of-the-arts. Finally, we demonstrate two applications of our methods: ranking robust XAI methods and selecting training schemes to improve both classification and interpretation robustness.

We introduce Slam, a recipe for training high-quality Speech Language Models (SLMs) on a single academic GPU in 24 hours. We do so through empirical analysis of model initialisation and architecture, synthetic training data, preference optimisation with synthetic data and tweaking all other components. We empirically demonstrate that this training recipe also scales well with more compute getting results on par with leading SLMs in a fraction of the compute cost. We hope these insights will make SLM training and research more accessible. In the context of SLM scaling laws, our results far outperform predicted compute optimal performance, giving an optimistic view to SLM feasibility. See code, data, models, samples at - https://pages.cs.huji.ac.il/adiyoss-lab/slamming .

Language models (LMs) as conversational assistants recently became popular tools that help people accomplish a variety of tasks. These typically result from adapting LMs pretrained on general domain text sequences through further instruction-tuning and possibly preference optimisation methods. The evaluation of such LMs would ideally be performed using human judgement, however, this is not scalable. On the other hand, automatic evaluation featuring auxiliary LMs as judges and/or knowledge-based tasks is scalable but struggles with assessing conversational ability and adherence to instructions. To help accelerate the development of LMs as conversational assistants, we propose a novel automatic evaluation task: HumanRankEval (HRE). It consists of a large-scale, diverse and high-quality set of questions, each with several answers authored and scored by humans. To perform evaluation, HRE ranks these answers based on their log-likelihood under the LM's distribution, and subsequently calculates their correlation with the corresponding human rankings. We support HRE's efficacy by investigating how efficiently it separates pretrained and instruction-tuned LMs of various sizes. We show that HRE correlates well with human judgements and is particularly responsive to model changes following instruction-tuning.

Appropriately designing the proposal kernel of particle filters is an issue of significant importance, since a bad choice may lead to deterioration of the particle sample and, consequently, waste of computational power. In this paper we introduce a novel algorithm adaptively approximating the so-called optimal proposal kernel by a mixture of integrated curved exponential distributions with logistic weights. This family of distributions, referred to as mixtures of experts, is broad enough to be used in the presence of multi-modality or strongly skewed distributions. The mixtures are fitted, via online-EM methods, to the optimal kernel through minimisation of the Kullback-Leibler divergence between the auxiliary target and instrumental distributions of the particle filter. At each iteration of the particle filter, the algorithm is required to solve only a single optimisation problem for the whole particle sample, yielding an algorithm with only linear complexity. In addition, we illustrate in a simulation study how the method can be successfully applied to optimal filtering in nonlinear state-space models.

Machine learning has emerged as a powerful solution to the modern challenges in accelerator physics. However, the limited availability of beam time, the computational cost of simulations, and the high-dimensionality of optimisation problems pose significant challenges in generating the required data for training state-of-the-art machine learning models. In this work, we introduce Cheetah, a PyTorch-based high-speed differentiable linear-beam dynamics code. Cheetah enables the fast collection of large data sets by reducing computation times by multiple orders of magnitude and facilitates efficient gradient-based optimisation for accelerator tuning and system identification. This positions Cheetah as a user-friendly, readily extensible tool that integrates seamlessly with widely adopted machine learning tools. We showcase the utility of Cheetah through five examples, including reinforcement learning training, gradient-based beamline tuning, gradient-based system identification, physics-informed Bayesian optimisation priors, and modular neural network surrogate modelling of space charge effects. The use of such a high-speed differentiable simulation code will simplify the development of machine learning-based methods for particle accelerators and fast-track their integration into everyday operations of accelerator facilities.

In the present research, we delve into the intricate realm of electroencephalogram (EEG) data analysis, focusing on sequence-to-sequence prediction of data across 32 EEG channels. The study harmoniously fuses the principles of applied chaos theory and dynamical systems theory to engender a novel feature set, enriching the representational capacity of our deep learning model. The endeavour's cornerstone is a transformer-based sequence-to-sequence architecture, calibrated meticulously to capture the non-linear and high-dimensional temporal dependencies inherent in EEG sequences. Through judicious architecture design, parameter initialisation strategies, and optimisation techniques, we have navigated the intricate balance between computational expediency and predictive performance. Our model stands as a vanguard in EEG data sequence prediction, demonstrating remarkable generalisability and robustness. The findings not only extend our understanding of EEG data dynamics but also unveil a potent analytical framework that can be adapted to diverse temporal sequence prediction tasks in neuroscience and beyond.

Artificial Intelligence Generated Content (AIGC) has shown remarkable progress in generating realistic images. However, in this paper, we take a step "backward" and address AIGC for the most rudimentary visual modality of human sketches. Our objective is on the creative nature of sketches, and that creative sketching should take the form of an interactive process. We further enable text to drive the sketch ideation process, allowing creativity to be freely defined, while simultaneously tackling the challenge of "I can't sketch". We present a method to generate controlled sketches using a text-conditioned diffusion model trained on pixel representations of images. Our proposed approach, referred to as SketchDreamer, integrates a differentiable rasteriser of Bezier curves that optimises an initial input to distil abstract semantic knowledge from a pretrained diffusion model. We utilise Score Distillation Sampling to learn a sketch that aligns with a given caption, which importantly enable both text and sketch to interact with the ideation process. Our objective is to empower non-professional users to create sketches and, through a series of optimisation processes, transform a narrative into a storyboard by expanding the text prompt while making minor adjustments to the sketch input. Through this work, we hope to aspire the way we create visual content, democratise the creative process, and inspire further research in enhancing human creativity in AIGC. The code is available at https://github.com/WinKawaks/SketchDreamer.

In this research, a comparative study of four Quantum Machine Learning (QML) models was conducted for fraud detection in finance. We proved that the Quantum Support Vector Classifier model achieved the highest performance, with F1 scores of 0.98 for fraud and non-fraud classes. Other models like the Variational Quantum Classifier, Estimator Quantum Neural Network (QNN), and Sampler QNN demonstrate promising results, propelling the potential of QML classification for financial applications. While they exhibit certain limitations, the insights attained pave the way for future enhancements and optimisation strategies. However, challenges exist, including the need for more efficient Quantum algorithms and larger and more complex datasets. The article provides solutions to overcome current limitations and contributes new insights to the field of Quantum Machine Learning in fraud detection, with important implications for its future development.

Training reinforcement learning agents at solving a given task is highly dependent on identifying optimal sets of hyperparameters and selecting suitable environment input / output configurations. This tedious process could be eased with a straightforward toolbox allowing its user to quickly compare different training parameter sets. We present rl_reach, a self-contained, open-source and easy-to-use software package designed to run reproducible reinforcement learning experiments for customisable robotic reaching tasks. rl_reach packs together training environments, agents, hyperparameter optimisation tools and policy evaluation scripts, allowing its users to quickly investigate and identify optimal training configurations. rl_reach is publicly available at this URL: https://github.com/PierreExeter/rl_reach.

While Large Language Models (LLMs) excel at generating human-like text, aligning their outputs with complex, qualitative goals like pedagogical soundness remains a significant challenge. Standard reinforcement learning techniques often rely on slow and expensive LLM-as-a-judge evaluations or on brittle, keyword-based metrics like ROUGE, which fail to capture the semantic essence of a high-quality explanation. In this work, we introduce a novel approach to reward shaping within the Group Relative Policy Optimisation (GRPO) framework. Our central contribution is the use of a small, efficient encoder-only transformer as a semantic reward model. This model provides a dense, semantically rich reward signal based on the cosine similarity between a generated explanation and a ground-truth reference, guiding the policy towards explanations that are not just factually correct but also structurally and conceptually aligned with expert reasoning. We apply this method to the task of training a model for the Italian medical-school entrance examinations, following standard domain-adaptive continued pre-training (CPT) and supervised fine-tuning (SFT). Our results demonstrate that GRPO with our proposed semantic reward significantly improves explanation faithfulness and clarity over a strong SFT baseline, showcasing the power of using lightweight encoder models for nuanced reward shaping in complex generation tasks

Modern RL-based post-training for large language models (LLMs) co-locate trajectory sampling and policy optimisation on the same GPU cluster, forcing the system to switch between inference and training workloads. This serial context switching violates the single-program-multiple-data (SPMD) assumption underlying today's distributed training systems. We present Echo, the RL system that cleanly decouples these two phases across heterogeneous "inference" and "training" swarms while preserving statistical efficiency. Echo introduces two lightweight synchronization protocols: a sequential pull mode that refreshes policy weights according to API call for minimal bias, and an asynchronous push-pull mode that streams version-tagged rollouts through a replay buffer to maximise hardware utilisation. Training four representative RL workloads with Qwen3-4B, Qwen2.5-7B, Qwen3-30B-A3B-Thinking-2507 and Qwen3-32B on a geographically distributed cluster, Echo matches a fully co-located Verl baseline in convergence speed and final reward while off-loading trajectory generation to commodity edge hardware. These promising results demonstrate that large-scale RL for LLMs could achieve datacentre-grade performance using decentralised, heterogeneous resources.

Code Language Models have been trained to generate accurate solutions, typically with no regard for runtime. On the other hand, previous works that explored execution optimisation have observed corresponding drops in functional correctness. To that end, we introduce Code-Optimise, a framework that incorporates both correctness (passed, failed) and runtime (quick, slow) as learning signals via self-generated preference data. Our framework is both lightweight and robust as it dynamically selects solutions to reduce overfitting while avoiding a reliance on larger models for learning signals. Code-Optimise achieves significant improvements in pass@k while decreasing the competitive baseline runtimes by an additional 6% for in-domain data and up to 3% for out-of-domain data. As a byproduct, the average length of the generated solutions is reduced by up to 48% on MBPP and 23% on HumanEval, resulting in faster and cheaper inference. The generated data and codebase will be open-sourced at www.open-source.link.

The enduring challenge in the field of artificial intelligence has been the control of systems to achieve desired behaviours. While for systems governed by straightforward dynamics equations, methods like Linear Quadratic Regulation (LQR) have historically proven highly effective, most real-world tasks, which require a general problem-solver, demand world models with dynamics that cannot be easily described by simple equations. Consequently, these models must be learned from data using neural networks. Most model predictive control (MPC) algorithms designed for visual world models have traditionally explored gradient-free population-based optimisation methods, such as Cross Entropy and Model Predictive Path Integral (MPPI) for planning. However, we present an exploration of a gradient-based alternative that fully leverages the differentiability of the world model. In our study, we conduct a comparative analysis between our method and other MPC-based alternatives, as well as policy-based algorithms. In a sample-efficient setting, our method achieves on par or superior performance compared to the alternative approaches in most tasks. Additionally, we introduce a hybrid model that combines policy networks and gradient-based MPC, which outperforms pure policy based methods thereby holding promise for Gradient-based planning with world models in complex real-world tasks.

Implementing a reward function that perfectly captures a complex task in the real world is impractical. As a result, it is often appropriate to think of the reward function as a proxy for the true objective rather than as its definition. We study this phenomenon through the lens of Goodhart's law, which predicts that increasing optimisation of an imperfect proxy beyond some critical point decreases performance on the true objective. First, we propose a way to quantify the magnitude of this effect and show empirically that optimising an imperfect proxy reward often leads to the behaviour predicted by Goodhart's law for a wide range of environments and reward functions. We then provide a geometric explanation for why Goodhart's law occurs in Markov decision processes. We use these theoretical insights to propose an optimal early stopping method that provably avoids the aforementioned pitfall and derive theoretical regret bounds for this method. Moreover, we derive a training method that maximises worst-case reward, for the setting where there is uncertainty about the true reward function. Finally, we evaluate our early stopping method experimentally. Our results support a foundation for a theoretically-principled study of reinforcement learning under reward misspecification.

We present LaLaLoc to localise in environments without the need for prior visitation, and in a manner that is robust to large changes in scene appearance, such as a full rearrangement of furniture. Specifically, LaLaLoc performs localisation through latent representations of room layout. LaLaLoc learns a rich embedding space shared between RGB panoramas and layouts inferred from a known floor plan that encodes the structural similarity between locations. Further, LaLaLoc introduces direct, cross-modal pose optimisation in its latent space. Thus, LaLaLoc enables fine-grained pose estimation in a scene without the need for prior visitation, as well as being robust to dynamics, such as a change in furniture configuration. We show that in a domestic environment LaLaLoc is able to accurately localise a single RGB panorama image to within 8.3cm, given only a floor plan as a prior.

In this study, we propose a multicriteria group decision making (MCGDM) algorithm under uncertainty where data is collected as intervals. The proposed MCGDM algorithm aggregates the data, determines the optimal weights for criteria and ranks alternatives with no further input. The intervals give flexibility to experts in assessing alternatives against criteria and provide an opportunity to gain maximum information. We also propose a novel method to aggregate expert judgements using cloud models. We introduce an experimental approach to check the validity of the aggregation method. After that, we use the aggregation method for an MCGDM problem. Here, we find the optimal weights for each criterion by proposing a bilevel optimisation model. Then, we extend the technique for order of preference by similarity to ideal solution (TOPSIS) for data based on cloud models to prioritise alternatives. As a result, the algorithm can gain information from decision makers with different levels of uncertainty and examine alternatives with no more information from decision-makers. The proposed MCGDM algorithm is implemented on a case study of a cybersecurity problem to illustrate its feasibility and effectiveness. The results verify the robustness and validity of the proposed MCGDM using sensitivity analysis and comparison with other existing algorithms.

Neural networks dominate the modern machine learning landscape, but their training and success still suffer from sensitivity to empirical choices of hyperparameters such as model architecture, loss function, and optimisation algorithm. In this work we present Population Based Training (PBT), a simple asynchronous optimisation algorithm which effectively utilises a fixed computational budget to jointly optimise a population of models and their hyperparameters to maximise performance. Importantly, PBT discovers a schedule of hyperparameter settings rather than following the generally sub-optimal strategy of trying to find a single fixed set to use for the whole course of training. With just a small modification to a typical distributed hyperparameter training framework, our method allows robust and reliable training of models. We demonstrate the effectiveness of PBT on deep reinforcement learning problems, showing faster wall-clock convergence and higher final performance of agents by optimising over a suite of hyperparameters. In addition, we show the same method can be applied to supervised learning for machine translation, where PBT is used to maximise the BLEU score directly, and also to training of Generative Adversarial Networks to maximise the Inception score of generated images. In all cases PBT results in the automatic discovery of hyperparameter schedules and model selection which results in stable training and better final performance.

Many deployed learned models are black boxes: given input, returns output. Internal information about the model, such as the architecture, optimisation procedure, or training data, is not disclosed explicitly as it might contain proprietary information or make the system more vulnerable. This work shows that such attributes of neural networks can be exposed from a sequence of queries. This has multiple implications. On the one hand, our work exposes the vulnerability of black-box neural networks to different types of attacks -- we show that the revealed internal information helps generate more effective adversarial examples against the black box model. On the other hand, this technique can be used for better protection of private content from automatic recognition models using adversarial examples. Our paper suggests that it is actually hard to draw a line between white box and black box models.

We marry ideas from deep neural networks and approximate Bayesian inference to derive a generalised class of deep, directed generative models, endowed with a new algorithm for scalable inference and learning. Our algorithm introduces a recognition model to represent approximate posterior distributions, and that acts as a stochastic encoder of the data. We develop stochastic back-propagation -- rules for back-propagation through stochastic variables -- and use this to develop an algorithm that allows for joint optimisation of the parameters of both the generative and recognition model. We demonstrate on several real-world data sets that the model generates realistic samples, provides accurate imputations of missing data and is a useful tool for high-dimensional data visualisation.

Reverse engineering binaries is required to understand and analyse programs for which the source code is unavailable. Decompilers can transform the largely unreadable binaries into a more readable source code-like representation. However, reverse engineering is time-consuming, much of which is taken up by labelling the functions with semantic information. While the automated summarisation of decompiled code can help Reverse Engineers understand and analyse binaries, current work mainly focuses on summarising source code, and no suitable dataset exists for this task. In this work, we extend large pre-trained language models of source code to summarise decompiled binary functions. Furthermore, we investigate the impact of input and data properties on the performance of such models. Our approach consists of two main components; the data and the model. We first build CAPYBARA, a dataset of 214K decompiled function-documentation pairs across various compiler optimisations. We extend CAPYBARA further by generating synthetic datasets and deduplicating the data. Next, we fine-tune the CodeT5 base model with CAPYBARA to create BinT5. BinT5 achieves the state-of-the-art BLEU-4 score of 60.83, 58.82, and 44.21 for summarising source, decompiled, and synthetically stripped decompiled code, respectively. This indicates that these models can be extended to decompiled binaries successfully. Finally, we found that the performance of BinT5 is not heavily dependent on the dataset size and compiler optimisation level. We recommend future research to further investigate transferring knowledge when working with less expressive input formats such as stripped binaries.

We present a new direction for increasing the interpretability of deep neural networks (DNNs) by promoting weight-input alignment during training. For this, we propose to replace the linear transforms in DNNs by our B-cos transform. As we show, a sequence (network) of such transforms induces a single linear transform that faithfully summarises the full model computations. Moreover, the B-cos transform introduces alignment pressure on the weights during optimisation. As a result, those induced linear transforms become highly interpretable and align with task-relevant features. Importantly, the B-cos transform is designed to be compatible with existing architectures and we show that it can easily be integrated into common models such as VGGs, ResNets, InceptionNets, and DenseNets, whilst maintaining similar performance on ImageNet. The resulting explanations are of high visual quality and perform well under quantitative metrics for interpretability. Code available at https://www.github.com/moboehle/B-cos.

Recent advances in large language models have sparked growing interest in AI agents capable of solving complex, real-world tasks. However, most existing agent systems rely on manually crafted configurations that remain static after deployment, limiting their ability to adapt to dynamic and evolving environments. To this end, recent research has explored agent evolution techniques that aim to automatically enhance agent systems based on interaction data and environmental feedback. This emerging direction lays the foundation for self-evolving AI agents, which bridge the static capabilities of foundation models with the continuous adaptability required by lifelong agentic systems. In this survey, we provide a comprehensive review of existing techniques for self-evolving agentic systems. Specifically, we first introduce a unified conceptual framework that abstracts the feedback loop underlying the design of self-evolving agentic systems. The framework highlights four key components: System Inputs, Agent System, Environment, and Optimisers, serving as a foundation for understanding and comparing different strategies. Based on this framework, we systematically review a wide range of self-evolving techniques that target different components of the agent system. We also investigate domain-specific evolution strategies developed for specialised fields such as biomedicine, programming, and finance, where optimisation objectives are tightly coupled with domain constraints. In addition, we provide a dedicated discussion on the evaluation, safety, and ethical considerations for self-evolving agentic systems, which are critical to ensuring their effectiveness and reliability. This survey aims to provide researchers and practitioners with a systematic understanding of self-evolving AI agents, laying the foundation for the development of more adaptive, autonomous, and lifelong agentic systems.

We introduce Agent K v1.0, an end-to-end autonomous data science agent designed to automate, optimise, and generalise across diverse data science tasks. Fully automated, Agent K v1.0 manages the entire data science life cycle by learning from experience. It leverages a highly flexible structured reasoning framework to enable it to dynamically process memory in a nested structure, effectively learning from accumulated experience stored to handle complex reasoning tasks. It optimises long- and short-term memory by selectively storing and retrieving key information, guiding future decisions based on environmental rewards. This iterative approach allows it to refine decisions without fine-tuning or backpropagation, achieving continuous improvement through experiential learning. We evaluate our agent's apabilities using Kaggle competitions as a case study. Following a fully automated protocol, Agent K v1.0 systematically addresses complex and multimodal data science tasks, employing Bayesian optimisation for hyperparameter tuning and feature engineering. Our new evaluation framework rigorously assesses Agent K v1.0's end-to-end capabilities to generate and send submissions starting from a Kaggle competition URL. Results demonstrate that Agent K v1.0 achieves a 92.5\% success rate across tasks, spanning tabular, computer vision, NLP, and multimodal domains. When benchmarking against 5,856 human Kaggle competitors by calculating Elo-MMR scores for each, Agent K v1.0 ranks in the top 38\%, demonstrating an overall skill level comparable to Expert-level users. Notably, its Elo-MMR score falls between the first and third quartiles of scores achieved by human Grandmasters. Furthermore, our results indicate that Agent K v1.0 has reached a performance level equivalent to Kaggle Grandmaster, with a record of 6 gold, 3 silver, and 7 bronze medals, as defined by Kaggle's progression system.

Dynamic Novel View Synthesis aims to generate photorealistic views of moving subjects from arbitrary viewpoints. This task is particularly challenging when relying on monocular video, where disentangling structure from motion is ill-posed and supervision is scarce. We introduce Video Diffusion-Aware Reconstruction (ViDAR), a novel 4D reconstruction framework that leverages personalised diffusion models to synthesise a pseudo multi-view supervision signal for training a Gaussian splatting representation. By conditioning on scene-specific features, ViDAR recovers fine-grained appearance details while mitigating artefacts introduced by monocular ambiguity. To address the spatio-temporal inconsistency of diffusion-based supervision, we propose a diffusion-aware loss function and a camera pose optimisation strategy that aligns synthetic views with the underlying scene geometry. Experiments on DyCheck, a challenging benchmark with extreme viewpoint variation, show that ViDAR outperforms all state-of-the-art baselines in visual quality and geometric consistency. We further highlight ViDAR's strong improvement over baselines on dynamic regions and provide a new benchmark to compare performance in reconstructing motion-rich parts of the scene. Project page: https://vidar-4d.github.io

We propose a novel feed-forward 3D editing framework called Shap-Editor. Prior research on editing 3D objects primarily concentrated on editing individual objects by leveraging off-the-shelf 2D image editing networks. This is achieved via a process called distillation, which transfers knowledge from the 2D network to 3D assets. Distillation necessitates at least tens of minutes per asset to attain satisfactory editing results, and is thus not very practical. In contrast, we ask whether 3D editing can be carried out directly by a feed-forward network, eschewing test-time optimisation. In particular, we hypothesise that editing can be greatly simplified by first encoding 3D objects in a suitable latent space. We validate this hypothesis by building upon the latent space of Shap-E. We demonstrate that direct 3D editing in this space is possible and efficient by building a feed-forward editor network that only requires approximately one second per edit. Our experiments show that Shap-Editor generalises well to both in-distribution and out-of-distribution 3D assets with different prompts, exhibiting comparable performance with methods that carry out test-time optimisation for each edited instance.

Large language models (LLMs) are increasingly deployed in multi-agent systems (MAS) as components of collaborative intelligence, where peer interactions dynamically shape individual decision-making. Although prior work has focused on conformity bias, we extend the analysis to examine how LLMs form trust from previous impressions, resist misinformation, and integrate peer input during interaction, key factors for achieving collective intelligence under complex social dynamics. We present KAIROS, a benchmark simulating quiz contests with peer agents of varying reliability, offering fine-grained control over conditions such as expert-novice roles, noisy crowds, and adversarial peers. LLMs receive both historical interactions and current peer responses, allowing systematic investigation into how trust, peer action, and self-confidence influence decisions. As for mitigation strategies, we evaluate prompting, supervised fine-tuning, and reinforcement learning, Group Relative Policy Optimisation (GRPO), across multiple models. Our results reveal that GRPO with multi-agent context combined with outcome-based rewards and unconstrained reasoning achieves the best overall performance, but also decreases the robustness to social influence compared to Base models. The code and datasets are available at: https://github.com/declare-lab/KAIROS.

In August 2025, OpenAI released GPT-OSS models, its first open weight large language models since GPT-2 in 2019, comprising two mixture of experts architectures with 120B and 20B parameters. We evaluated both variants against six contemporary open source large language models ranging from 14.7B to 235B parameters, representing both dense and sparse designs, across ten benchmarks covering general knowledge, mathematical reasoning, code generation, multilingual understanding, and conversational ability. All models were tested in unquantised form under standardised inference settings, with statistical validation using McNemars test and effect size analysis. Results show that gpt-oss-20B consistently outperforms gpt-oss-120B on several benchmarks, such as HumanEval and MMLU, despite requiring substantially less memory and energy per response. Both models demonstrate mid-tier overall performance within the current open source landscape, with relative strength in code generation and notable weaknesses in multilingual tasks. These findings provide empirical evidence that scaling in sparse architectures may not yield proportional performance gains, underscoring the need for further investigation into optimisation strategies and informing more efficient model selection for future open source deployments.

We investigate the potential of GPT-4~gpt4 to perform Neural Architecture Search (NAS) -- the task of designing effective neural architectures. Our proposed approach, GPT-4 Enhanced Neural archItectUre Search (GENIUS), leverages the generative capabilities of GPT-4 as a black-box optimiser to quickly navigate the architecture search space, pinpoint promising candidates, and iteratively refine these candidates to improve performance. We assess GENIUS across several benchmarks, comparing it with existing state-of-the-art NAS techniques to illustrate its effectiveness. Rather than targeting state-of-the-art performance, our objective is to highlight GPT-4's potential to assist research on a challenging technical problem through a simple prompting scheme that requires relatively limited domain expertiseCode available at \href{https://github.com/mingkai-zheng/GENIUS{https://github.com/mingkai-zheng/GENIUS}.}. More broadly, we believe our preliminary results point to future research that harnesses general purpose language models for diverse optimisation tasks. We also highlight important limitations to our study, and note implications for AI safety.

This paper introduces ArGen (Auto-Regulation of Generative AI systems), a framework for aligning Large Language Models (LLMs) with complex sets of configurable, machine-readable rules spanning ethical principles, operational safety protocols, and regulatory compliance standards. Moving beyond just preference-based alignment, ArGen is designed to ensure LLMs adhere to these multifaceted policies through a novel synthesis of principle-based automated reward scoring, Group Relative Policy Optimisation (GRPO), and an Open Policy Agent (OPA) inspired governance layer. This approach provides the technical foundation for achieving and demonstrating compliance with diverse and nuanced governance requirements. To showcase the framework's capability to operationalize a deeply nuanced and culturally-specific value system, we present an in-depth case study: the development of a medical AI assistant guided by principles from Dharmic ethics (such as Ahimsa and Dharma), as derived from texts like the Bhagavad Gita. This challenging application demonstrates ArGen's adaptability, achieving a 70.9% improvement in domain-scope adherence over the baseline. Through our open-source repository, we show that ArGen's methodology offers a path to 'Governable Al' systems that are technically proficient, ethically robust, and verifiably compliant for safe deployment in diverse global contexts.

Videos contain a wealth of information, and generating detailed and accurate descriptions in natural language is a key aspect of video understanding. In this paper, we present video-SALMONN 2, an advanced audio-visual large language model (LLM) with low-rank adaptation (LoRA) designed for enhanced video (with paired audio) captioning through directed preference optimisation (DPO). We propose new metrics to evaluate the completeness and accuracy of video descriptions, which are optimised using DPO. To further improve training, we propose a novel multi-round DPO (MrDPO) approach, which involves periodically updating the DPO reference model, merging and re-initialising the LoRA module as a proxy for parameter updates after each training round (1,000 steps), and incorporating guidance from ground-truth video captions to stabilise the process. Experimental results show that MrDPO significantly enhances video-SALMONN 2's captioning accuracy, reducing the captioning error rates by 28\%. The final video-SALMONN 2 model, with just 7 billion parameters, surpasses leading models such as GPT-4o and Gemini-1.5-Pro in video captioning tasks, while maintaining highly competitive performance to the state-of-the-art on widely used video question-answering benchmarks among models of similar size. Codes are available at https://github.com/bytedance/video-SALMONN-2{https://github.com/bytedance/video-SALMONN-2}.

This study introduces a novel and interpretable model, DiffVox, for matching vocal effects in music production. DiffVox, short for ``Differentiable Vocal Fx", integrates parametric equalisation, dynamic range control, delay, and reverb with efficient differentiable implementations to enable gradient-based optimisation for parameter estimation. Vocal presets are retrieved from two datasets, comprising 70 tracks from MedleyDB and 365 tracks from a private collection. Analysis of parameter correlations highlights strong relationships between effects and parameters, such as the high-pass and low-shelf filters often behaving together to shape the low end, and the delay time correlates with the intensity of the delayed signals. Principal component analysis reveals connections to McAdams' timbre dimensions, where the most crucial component modulates the perceived spaciousness while the secondary components influence spectral brightness. Statistical testing confirms the non-Gaussian nature of the parameter distribution, highlighting the complexity of the vocal effects space. These initial findings on the parameter distributions set the foundation for future research in vocal effects modelling and automatic mixing. Our source code and datasets are accessible at https://github.com/SonyResearch/diffvox.

Research in auditory, visual, and audiovisual speech recognition (ASR, VSR, and AVSR, respectively) has traditionally been conducted independently. Even recent self-supervised studies addressing two or all three tasks simultaneously tend to yield separate models, leading to disjoint inference pipelines with increased memory requirements and redundancies. This paper proposes unified training strategies for these systems. We demonstrate that training a single model for all three tasks enhances VSR and AVSR performance, overcoming typical optimisation challenges when training from scratch. Moreover, we introduce a greedy pseudo-labelling approach to more effectively leverage unlabelled samples, addressing shortcomings in related self-supervised methods. Finally, we develop a self-supervised pre-training method within our framework, proving its effectiveness alongside our semi-supervised approach. Despite using a single model for all tasks, our unified approach achieves state-of-the-art performance compared to recent methods on LRS3 and LRS2 for ASR, VSR, and AVSR, as well as on the newly released WildVSR dataset. Code and models are available at https://github.com/ahaliassos/usr.

YAMLE: Yet Another Machine Learning Environment is an open-source framework that facilitates rapid prototyping and experimentation with machine learning (ML) models and methods. The key motivation is to reduce repetitive work when implementing new approaches and improve reproducibility in ML research. YAMLE includes a command-line interface and integrations with popular and well-maintained PyTorch-based libraries to streamline training, hyperparameter optimisation, and logging. The ambition for YAMLE is to grow into a shared ecosystem where researchers and practitioners can quickly build on and compare existing implementations. Find it at: https://github.com/martinferianc/yamle.

We present the first application of 3D Gaussian Splatting to incremental 3D reconstruction using a single moving monocular or RGB-D camera. Our Simultaneous Localisation and Mapping (SLAM) method, which runs live at 3fps, utilises Gaussians as the only 3D representation, unifying the required representation for accurate, efficient tracking, mapping, and high-quality rendering. Several innovations are required to continuously reconstruct 3D scenes with high fidelity from a live camera. First, to move beyond the original 3DGS algorithm, which requires accurate poses from an offline Structure from Motion (SfM) system, we formulate camera tracking for 3DGS using direct optimisation against the 3D Gaussians, and show that this enables fast and robust tracking with a wide basin of convergence. Second, by utilising the explicit nature of the Gaussians, we introduce geometric verification and regularisation to handle the ambiguities occurring in incremental 3D dense reconstruction. Finally, we introduce a full SLAM system which not only achieves state-of-the-art results in novel view synthesis and trajectory estimation, but also reconstruction of tiny and even transparent objects.

Vector Quantisation (VQ) is experiencing a comeback in machine learning, where it is increasingly used in representation learning. However, optimizing the codevectors in existing VQ-VAE is not entirely trivial. A problem is codebook collapse, where only a small subset of codevectors receive gradients useful for their optimisation, whereas a majority of them simply ``dies off'' and is never updated or used. This limits the effectiveness of VQ for learning larger codebooks in complex computer vision tasks that require high-capacity representations. In this paper, we present a simple alternative method for online codebook learning, Clustering VQ-VAE (CVQ-VAE). Our approach selects encoded features as anchors to update the ``dead'' codevectors, while optimising the codebooks which are alive via the original loss. This strategy brings unused codevectors closer in distribution to the encoded features, increasing the likelihood of being chosen and optimized. We extensively validate the generalization capability of our quantiser on various datasets, tasks (e.g. reconstruction and generation), and architectures (e.g. VQ-VAE, VQGAN, LDM). Our CVQ-VAE can be easily integrated into the existing models with just a few lines of code.

Convolutional Neural Networks define an exceptionally powerful class of models, but are still limited by the lack of ability to be spatially invariant to the input data in a computationally and parameter efficient manner. In this work we introduce a new learnable module, the Spatial Transformer, which explicitly allows the spatial manipulation of data within the network. This differentiable module can be inserted into existing convolutional architectures, giving neural networks the ability to actively spatially transform feature maps, conditional on the feature map itself, without any extra training supervision or modification to the optimisation process. We show that the use of spatial transformers results in models which learn invariance to translation, scale, rotation and more generic warping, resulting in state-of-the-art performance on several benchmarks, and for a number of classes of transformations.

Large Language Models (LLMs) still struggle with the structured reasoning and tool-assisted computation needed for problem solving in cybersecurity applications. In this work, we introduce "random-crypto", a cryptographic Capture-the-Flag (CTF) challenge generator framework that we use to fine-tune a tool-augmented Llama-3.1-8B with Guided Reinforcement Prompt Optimisation (GRPO), allowing the agent to iteratively write and execute Python inside an isolated REPL. GRPO yields a +53% absolute jump in Pass@8 on unseen "random-crypto" tasks (0.35 -> 0.88) and raises Majority@8 to 0.41. The fine-tuned agent also generalizes to an external dataset. On a subset of picoCTF cryptography problems, it improves Pass@8 by +13 pp. Ablations show the gains stem from more reliable tool invocation and code synthesis, rather than superficial prompt adaptation.

This paper introduces ConvShareViT, a novel deep learning architecture that adapts Vision Transformers (ViTs) to the 4f free-space optical system. ConvShareViT replaces linear layers in multi-head self-attention (MHSA) and Multilayer Perceptrons (MLPs) with a depthwise convolutional layer with shared weights across input channels. Through the development of ConvShareViT, the behaviour of convolutions within MHSA and their effectiveness in learning the attention mechanism were analysed systematically. Experimental results demonstrate that certain configurations, particularly those using valid-padded shared convolutions, can successfully learn attention, achieving comparable attention scores to those obtained with standard ViTs. However, other configurations, such as those using same-padded convolutions, show limitations in attention learning and operate like regular CNNs rather than transformer models. ConvShareViT architectures are specifically optimised for the 4f optical system, which takes advantage of the parallelism and high-resolution capabilities of optical systems. Results demonstrate that ConvShareViT can theoretically achieve up to 3.04 times faster inference than GPU-based systems. This potential acceleration makes ConvShareViT an attractive candidate for future optical deep learning applications and proves that our ViT (ConvShareViT) can be employed using only the convolution operation, via the necessary optimisation of the ViT to balance performance and complexity.

Generative language models are increasingly used for contract drafting and enhancement, creating a scenario where competing parties deploy different language models against each other. This introduces not only a game-theory challenge but also significant concerns related to AI safety and security, as the language model employed by the opposing party can be unknown. These competitive interactions can be seen as adversarial testing grounds, where models are effectively red-teamed to expose vulnerabilities such as generating biased, harmful or legally problematic text. Despite the importance of these challenges, the competitive robustness and safety of these models in adversarial settings remain poorly understood. In this small study, we approach this problem by evaluating the performance and vulnerabilities of major open-source language models in head-to-head competitions, simulating real-world contract negotiations. We further explore how these adversarial interactions can reveal potential risks, informing the development of more secure and reliable models. Our findings contribute to the growing body of research on AI safety, offering insights into model selection and optimisation in competitive legal contexts and providing actionable strategies for mitigating risks.

Fine-tuning foundation models via reinforcement learning (RL) has proven promising for aligning to downstream objectives. In the case of diffusion models (DMs), though RL training improves alignment from early timesteps, critical issues such as training instability and mode collapse arise. We address these drawbacks by exploiting the hierarchical nature of DMs: we train them dynamically at each epoch with a tailored RL method, allowing for continual evaluation and step-by-step refinement of the model performance (or alignment). Furthermore, we find that not every denoising step needs to be fine-tuned to align DMs to downstream tasks. Consequently, in addition to clipping, we regularise model parameters at distinct learning phases via a sliding-window approach. Our approach, termed Hierarchical Reward Fine-tuning (HRF), is validated on the Denoising Diffusion Policy Optimisation method, where we show that models trained with HRF achieve better preservation of diversity in downstream tasks, thus enhancing the fine-tuning robustness and at uncompromising mean rewards.

We show that extensive LLM safety fine-tuning is easily subverted when an attacker has access to model weights. We evaluate three state-of-the-art fine-tuning methods-QLoRA, ReFT, and Ortho-and show how algorithmic advances enable constant jailbreaking performance with cuts in FLOPs and optimisation power. We strip safety fine-tuning from Llama 3 8B in one minute and Llama 3 70B in 30 minutes on a single GPU, and sketch ways to reduce this further.

The paper presents a methodology for uncovering knowledge gaps on the internet using the Retrieval Augmented Generation (RAG) model. By simulating user search behaviour, the RAG system identifies and addresses gaps in information retrieval systems. The study demonstrates the effectiveness of the RAG system in generating relevant suggestions with a consistent accuracy of 93%. The methodology can be applied in various fields such as scientific discovery, educational enhancement, research development, market analysis, search engine optimisation, and content development. The results highlight the value of identifying and understanding knowledge gaps to guide future endeavours.

In this work, we consider the complex control problem of making a monopod reach a target with a jump. The monopod can jump in any direction and the terrain underneath its foot can be uneven. This is a template of a much larger class of problems, which are extremely challenging and computationally expensive to solve using standard optimisation-based techniques. Reinforcement Learning (RL) could be an interesting alternative, but the application of an end-to-end approach in which the controller must learn everything from scratch, is impractical. The solution advocated in this paper is to guide the learning process within an RL framework by injecting physical knowledge. This expedient brings to widespread benefits, such as a drastic reduction of the learning time, and the ability to learn and compensate for possible errors in the low-level controller executing the motion. We demonstrate the advantage of our approach with respect to both optimization-based and end-to-end RL approaches.

Curriculum learning (CL) posits that machine learning models -- similar to humans -- may learn more efficiently from data that match their current learning progress. However, CL methods are still poorly understood and, in particular for natural language processing (NLP), have achieved only limited success. In this paper, we explore why. Starting from an attempt to replicate and extend a number of recent curriculum methods, we find that their results are surprisingly brittle when applied to NLP. A deep dive into the (in)effectiveness of the curricula in some scenarios shows us why: when curricula are employed in combination with the popular Adam optimisation algorithm, they oftentimes learn to adapt to suboptimally chosen optimisation parameters for this algorithm. We present a number of different case studies with different common hand-crafted and automated CL approaches to illustrate this phenomenon, and we find that none of them outperforms optimisation with only Adam with well-chosen hyperparameters. As such, our results contribute to understanding why CL methods work, but at the same time urge caution when claiming positive results.

We propose a novel transformer-based framework that reconstructs two high fidelity hands from multi-view RGB images. Unlike existing hand pose estimation methods, where one typically trains a deep network to regress hand model parameters from single RGB image, we consider a more challenging problem setting where we directly regress the absolute root poses of two-hands with extended forearm at high resolution from egocentric view. As existing datasets are either infeasible for egocentric viewpoints or lack background variations, we create a large-scale synthetic dataset with diverse scenarios and collect a real dataset from multi-calibrated camera setup to verify our proposed multi-view image feature fusion strategy. To make the reconstruction physically plausible, we propose two strategies: (i) a coarse-to-fine spectral graph convolution decoder to smoothen the meshes during upsampling and (ii) an optimisation-based refinement stage at inference to prevent self-penetrations. Through extensive quantitative and qualitative evaluations, we show that our framework is able to produce realistic two-hand reconstructions and demonstrate the generalisation of synthetic-trained models to real data, as well as real-time AR/VR applications.

Probabilistic model checking is a technique for formal automated reasoning about software or hardware systems that operate in the context of uncertainty or stochasticity. It builds upon ideas and techniques from a diverse range of fields, from logic, automata and graph theory, to optimisation, numerical methods and control. In recent years, probabilistic model checking has also been extended to integrate ideas from game theory, notably using models such as stochastic games and solution concepts such as equilibria, to formally verify the interaction of multiple rational agents with distinct objectives. This provides a means to reason flexibly about agents acting in either an adversarial or a collaborative fashion, and opens up opportunities to tackle new problems within, for example, artificial intelligence, robotics and autonomous systems. In this paper, we summarise some of the advances in this area, and highlight applications for which they have already been used. We discuss how the strengths of probabilistic model checking apply, or have the potential to apply, to the multi-agent setting and outline some of the key challenges required to make further progress in this field.

We present Malafide, a universal adversarial attack against automatic speaker verification (ASV) spoofing countermeasures (CMs). By introducing convolutional noise using an optimised linear time-invariant filter, Malafide attacks can be used to compromise CM reliability while preserving other speech attributes such as quality and the speaker's voice. In contrast to other adversarial attacks proposed recently, Malafide filters are optimised independently of the input utterance and duration, are tuned instead to the underlying spoofing attack, and require the optimisation of only a small number of filter coefficients. Even so, they degrade CM performance estimates by an order of magnitude, even in black-box settings, and can also be configured to overcome integrated CM and ASV subsystems. Integrated solutions that use self-supervised learning CMs, however, are more robust, under both black-box and white-box settings.

Estimating truncated density models is difficult, as these models have intractable normalising constants and hard to satisfy boundary conditions. Score matching can be adapted to solve the truncated density estimation problem, but requires a continuous weighting function which takes zero at the boundary and is positive elsewhere. Evaluation of such a weighting function (and its gradient) often requires a closed-form expression of the truncation boundary and finding a solution to a complicated optimisation problem. In this paper, we propose approximate Stein classes, which in turn leads to a relaxed Stein identity for truncated density estimation. We develop a novel discrepancy measure, truncated kernelised Stein discrepancy (TKSD), which does not require fixing a weighting function in advance, and can be evaluated using only samples on the boundary. We estimate a truncated density model by minimising the Lagrangian dual of TKSD. Finally, experiments show the accuracy of our method to be an improvement over previous works even without the explicit functional form of the boundary.

Quantum algorithms based on variational approaches are one of the most promising methods to construct quantum solutions and have found a myriad of applications in the last few years. Despite the adaptability and simplicity, their scalability and the selection of suitable ans\"atzs remain key challenges. In this work, we report an algorithmic framework based on nested Monte-Carlo Tree Search (MCTS) coupled with the combinatorial multi-armed bandit (CMAB) model for the automated design of quantum circuits. Through numerical experiments, we demonstrated our algorithm applied to various kinds of problems, including the ground energy problem in quantum chemistry, quantum optimisation on a graph, solving systems of linear equations, and finding encoding circuit for quantum error detection codes. Compared to the existing approaches, the results indicate that our circuit design algorithm can explore larger search spaces and optimise quantum circuits for larger systems, showing both versatility and scalability.

We present the Neural Waveshaping Unit (NEWT): a novel, lightweight, fully causal approach to neural audio synthesis which operates directly in the waveform domain, with an accompanying optimisation (FastNEWT) for efficient CPU inference. The NEWT uses time-distributed multilayer perceptrons with periodic activations to implicitly learn nonlinear transfer functions that encode the characteristics of a target timbre. Once trained, a NEWT can produce complex timbral evolutions by simple affine transformations of its input and output signals. We paired the NEWT with a differentiable noise synthesiser and reverb and found it capable of generating realistic musical instrument performances with only 260k total model parameters, conditioned on F0 and loudness features. We compared our method to state-of-the-art benchmarks with a multi-stimulus listening test and the Fr\'echet Audio Distance and found it performed competitively across the tested timbral domains. Our method significantly outperformed the benchmarks in terms of generation speed, and achieved real-time performance on a consumer CPU, both with and without FastNEWT, suggesting it is a viable basis for future creative sound design tools.

Fault-tolerant quantum computers offer the promise of dramatically improving machine learning through speed-ups in computation or improved model scalability. In the near-term, however, the benefits of quantum machine learning are not so clear. Understanding expressibility and trainability of quantum models-and quantum neural networks in particular-requires further investigation. In this work, we use tools from information geometry to define a notion of expressibility for quantum and classical models. The effective dimension, which depends on the Fisher information, is used to prove a novel generalisation bound and establish a robust measure of expressibility. We show that quantum neural networks are able to achieve a significantly better effective dimension than comparable classical neural networks. To then assess the trainability of quantum models, we connect the Fisher information spectrum to barren plateaus, the problem of vanishing gradients. Importantly, certain quantum neural networks can show resilience to this phenomenon and train faster than classical models due to their favourable optimisation landscapes, captured by a more evenly spread Fisher information spectrum. Our work is the first to demonstrate that well-designed quantum neural networks offer an advantage over classical neural networks through a higher effective dimension and faster training ability, which we verify on real quantum hardware.

Deep Graph Neural Networks (GNNs) show promising performance on a range of graph tasks, yet at present are costly to run and lack many of the optimisations applied to DNNs. We show, for the first time, how to systematically quantise GNNs with minimal or no loss in performance using Network Architecture Search (NAS). We define the possible quantisation search space of GNNs. The proposed novel NAS mechanism, named Low Precision Graph NAS (LPGNAS), constrains both architecture and quantisation choices to be differentiable. LPGNAS learns the optimal architecture coupled with the best quantisation strategy for different components in the GNN automatically using back-propagation in a single search round. On eight different datasets, solving the task of classifying unseen nodes in a graph, LPGNAS generates quantised models with significant reductions in both model and buffer sizes but with similar accuracy to manually designed networks and other NAS results. In particular, on the Pubmed dataset, LPGNAS shows a better size-accuracy Pareto frontier compared to seven other manual and searched baselines, offering a 2.3 times reduction in model size but a 0.4% increase in accuracy when compared to the best NAS competitor. Finally, from our collected quantisation statistics on a wide range of datasets, we suggest a W4A8 (4-bit weights, 8-bit activations) quantisation strategy might be the bottleneck for naive GNN quantisations.

Neural network approaches for meta-learning distributions over functions have desirable properties such as increased flexibility and a reduced complexity of inference. Building on the successes of denoising diffusion models for generative modelling, we propose Neural Diffusion Processes (NDPs), a novel approach that learns to sample from a rich distribution over functions through its finite marginals. By introducing a custom attention block we are able to incorporate properties of stochastic processes, such as exchangeability, directly into the NDP's architecture. We empirically show that NDPs can capture functional distributions close to the true Bayesian posterior, demonstrating that they can successfully emulate the behaviour of Gaussian processes and surpass the performance of neural processes. NDPs enable a variety of downstream tasks, including regression, implicit hyperparameter marginalisation, non-Gaussian posterior prediction and global optimisation.

The advent of deep machine learning platforms such as Tensorflow and Pytorch, developed in expressive high-level languages such as Python, have allowed more expressive representations of deep neural network architectures. We argue that such a powerful formalism is missing in information retrieval (IR), and propose a framework called PyTerrier that allows advanced retrieval pipelines to be expressed, and evaluated, in a declarative manner close to their conceptual design. Like the aforementioned frameworks that compile deep learning experiments into primitive GPU operations, our framework targets IR platforms as backends in order to execute and evaluate retrieval pipelines. Further, we can automatically optimise the retrieval pipelines to increase their efficiency to suite a particular IR platform backend. Our experiments, conducted on TREC Robust and ClueWeb09 test collections, demonstrate the efficiency benefits of these optimisations for retrieval pipelines involving both the Anserini and Terrier IR platforms.