arXiv subjects

Tom Diethe

Publications and source records attributed to Tom Diethe.

At least 19 recordsLinked to original sources

arXiv2026

CoRefine: Confidence-Guided Self-Refinement for Adaptive Test-Time Compute

Large Language Models (LLMs) often rely on test-time scaling via parallel decoding (for example, 512 samples) to boost reasoning accuracy, but this incurs substantial compute. We introduce CoRefine, a confidence-guided self-refinement method that achieves competitive accuracy using a fraction of the tokens via a lightweight 211k-parameter Conv1D controller atop a frozen LLM. The controller consumes full-trace confidence to decide whether to halt, re-examine, or try a different approach, enabling targeted self-correction with an average of 2.7 refinement steps per problem and roughly 190-fold token reduction relative to 512-sample baselines. Across diverse reasoning benchmarks and three open-source models, the controller achieves 92.6 percent precision when it confidently halts, indicating that confidence dynamics reliably signal correctness without ground-truth verification. We extend this to CoRefine-Tree, a hybrid sequential-parallel variant that adaptively balances exploration and exploitation, with easy serving integration and verifier compatibility. By treating confidence as a control signal rather than a correctness guarantee, CoRefine provides a modular primitive for scalable reasoning and agentic settings with imperfect verifiers.

cs.AI↗

arXiv2025

Protein generation with embedding learning for motif diversification

A fundamental challenge in protein design is the trade-off between generating structural diversity while preserving motif biological function. Current state-of-the-art methods, such as partial diffusion in RFdiffusion, often fail to resolve this trade-off: small perturbations yield motifs nearly identical to the native structure, whereas larger perturbations violate the geometric constraints necessary for biological function. We introduce Protein Generation with Embedding Learning (PGEL), a general framework that learns high-dimensional embeddings encoding sequence and structural features of a target motif in the representation space of a diffusion model's frozen denoiser, and then enhances motif diversity by introducing controlled perturbations in the embedding space. PGEL is thus able to loosen geometric constraints while satisfying typical design metrics, leading to more diverse yet viable structures. We demonstrate PGEL on three representative cases: a monomer, a protein-protein interface, and a cancer-related transcription factor complex. In all cases, PGEL achieves greater structural diversity, better designability, and improved self-consistency, as compared to partial diffusion. Our results establish PGEL as a general strategy for embedding-driven protein generation allowing for systematic, viable diversification of functional motifs.

q-bio.QM↗

arXiv2025

Causal-Adapter: Taming Text-to-Image Diffusion for Faithful Counterfactual Generation

We present Causal-Adapter, a modular framework that adapts frozen text-to-image diffusion backbones for counterfactual image generation. Our method supports causal interventions on target attributes and consistently propagates their effects to causal dependents while preserving the core identity of the image. Unlike prior approaches that rely on prompt engineering without explicit causal structure, Causal-Adapter leverages structural causal modeling with two attribute-regularization strategies: (i) prompt-aligned injection, which aligns causal attributes with textual embeddings for precise semantic control, and (ii) a conditioned token contrastive loss that disentangles attribute factors and reduces spurious correlations. Causal-Adapter achieves state-of-the-art performance on both synthetic and real-world datasets, including up to a 91% reduction in MAE on Pendulum for accurate attribute control and up to an 87% reduction in FID on ADNI for high-fidelity MRI generation. These results demonstrate robust, generalizable counterfactual editing with faithful attribute modification and strong identity preservation. Code and models will be released at: https://leitong02.github.io/causaladapter/.

cs.CV↗

arXiv2025

Beyond Quantification: Navigating Uncertainty in Professional AI Systems

The growing integration of large language models across professional domains transforms how experts make critical decisions in healthcare, education, and law. While significant research effort focuses on getting these systems to communicate their outputs with probabilistic measures of reliability, many consequential forms of uncertainty in professional contexts resist such quantification. A physician pondering the appropriateness of documenting possible domestic abuse, a teacher assessing cultural sensitivity, or a mathematician distinguishing procedural from conceptual understanding face forms of uncertainty that cannot be reduced to percentages. This paper argues for moving beyond simple quantification toward richer expressions of uncertainty essential for beneficial AI integration. We propose participatory refinement processes through which professional communities collectively shape how different forms of uncertainty are communicated. Our approach acknowledges that uncertainty expression is a form of professional sense-making that requires collective development rather than algorithmic optimization.

cs.HC↗

arXiv2025

Return of the Latent Space COWBOYS: Re-thinking the use of VAEs for Bayesian Optimisation of Structured Spaces

Bayesian optimisation in the latent space of a Variational AutoEncoder (VAE) is a powerful framework for optimisation tasks over complex structured domains, such as the space of scientifically interesting molecules. However, existing approaches tightly couple the surrogate and generative models, which can lead to suboptimal performance when the latent space is not tailored to specific tasks, which in turn has led to the proposal of increasingly sophisticated algorithms. In this work, we explore a new direction, instead proposing a decoupled approach that trains a generative model and a Gaussian Process (GP) surrogate separately, then combines them via a simple yet principled Bayesian update rule. This separation allows each component to focus on its strengths -- structure generation from the VAE and predictive modelling by the GP. We show that our decoupled approach improves our ability to identify high-potential candidates in molecular optimisation problems under constrained evaluation budgets.

cs.LG↗

arXiv2025

Segment Anyword: Mask Prompt Inversion for Open-Set Grounded Segmentation

Open-set image segmentation poses a significant challenge because existing methods often demand extensive training or fine-tuning and generally struggle to segment unified objects consistently across diverse text reference expressions. Motivated by this, we propose Segment Anyword, a novel training-free visual concept prompt learning approach for open-set language grounded segmentation that relies on token-level cross-attention maps from a frozen diffusion model to produce segmentation surrogates or mask prompts, which are then refined into targeted object masks. Initial prompts typically lack coherence and consistency as the complexity of the image-text increases, resulting in suboptimal mask fragments. To tackle this issue, we further introduce a novel linguistic-guided visual prompt regularization that binds and clusters visual prompts based on sentence dependency and syntactic structural information, enabling the extraction of robust, noise-tolerant mask prompts, and significant improvements in segmentation accuracy. The proposed approach is effective, generalizes across different open-set segmentation tasks, and achieves state-of-the-art results of 52.5 (+6.8 relative) mIoU on Pascal Context 59, 67.73 (+25.73 relative) cIoU on gRefCOCO, and 67.4 (+1.1 relative to fine-tuned methods) mIoU on GranDf, which is the most complex open-set grounded segmentation task in the field.

cs.CV↗

arXiv2025

Diffusion Instruction Tuning

We introduce Lavender, a simple supervised fine-tuning (SFT) method that boosts the performance of advanced vision-language models (VLMs) by leveraging state-of-the-art image generation models such as Stable Diffusion. Specifically, Lavender aligns the text-vision attention in the VLM transformer with the equivalent used by Stable Diffusion during SFT, instead of adapting separate encoders. This alignment enriches the model's visual understanding and significantly boosts performance across in- and out-of-distribution tasks. Lavender requires just 0.13 million training examples, 2.5% of typical large-scale SFT datasets, and fine-tunes on standard hardware (8 GPUs) in a single day. It consistently improves state-of-the-art open-source multimodal LLMs (e.g., Llama-3.2-11B, MiniCPM-Llama3-v2.5), achieving up to 30% gains and a 68% boost on challenging out-of-distribution medical QA tasks. By efficiently transferring the visual expertise of image generators with minimal supervision, Lavender offers a scalable solution for more accurate vision-language systems. All code, training data, and models will be shared at https://astrazeneca.github.io/vlm/.

cs.LG↗

arXiv2025

Big Batch Bayesian Active Learning by Considering Predictive Probabilities

We observe that BatchBALD, a popular acquisition function for batch Bayesian active learning for classification, can conflate epistemic and aleatoric uncertainty, leading to suboptimal performance. Motivated by this observation, we propose to focus on the predictive probabilities, which only exhibit epistemic uncertainty. The result is an acquisition function that not only performs better, but is also faster to evaluate, allowing for larger batches than before.

cs.LG↗

arXiv2024

DeCoRe: Decoding by Contrasting Retrieval Heads to Mitigate Hallucinations

Large Language Models (LLMs) often hallucinate, producing unfaithful or factually incorrect outputs by misrepresenting the provided context or incorrectly recalling internal knowledge. Recent studies have identified specific attention heads within the Transformer architecture, known as retrieval heads, responsible for extracting relevant contextual information. We hypothesise that masking these retrieval heads can induce hallucinations and that contrasting the outputs of the base LLM and the masked LLM can reduce hallucinations. To this end, we propose Decoding by Contrasting Retrieval Heads (DeCoRe), a novel training-free decoding strategy that amplifies information found in the context and model parameters. DeCoRe mitigates potentially hallucinated responses by dynamically contrasting the outputs of the base LLM and the masked LLM, using conditional entropy as a guide. Our extensive experiments confirm that DeCoRe significantly improves performance on tasks requiring high contextual faithfulness, such as summarisation (XSum by 18.6%), instruction following (MemoTrap by 10.9%), and open-book question answering (NQ-Open by 2.4% and NQ-Swap by 5.5%).

cs.CL↗

arXiv2024

Improving Antibody Humanness Prediction using Patent Data

We investigate the potential of patent data for improving the antibody humanness prediction using a multi-stage, multi-loss training process. Humanness serves as a proxy for the immunogenic response to antibody therapeutics, one of the major causes of attrition in drug discovery and a challenging obstacle for their use in clinical settings. We pose the initial learning stage as a weakly-supervised contrastive-learning problem, where each antibody sequence is associated with possibly multiple identifiers of function and the objective is to learn an encoder that groups them according to their patented properties. We then freeze a part of the contrastive encoder and continue training it on the patent data using the cross-entropy loss to predict the humanness score of a given antibody sequence. We illustrate the utility of the patent data and our approach by performing inference on three different immunogenicity datasets, unseen during training. Our empirical results demonstrate that the learned model consistently outperforms the alternative baselines and establishes new state-of-the-art on five out of six inference tasks, irrespective of the used metric.

q-bio.QM↗

arXiv2024

An Image is Worth Multiple Words: Discovering Object Level Concepts using Multi-Concept Prompt Learning

Textural Inversion, a prompt learning method, learns a singular text embedding for a new "word" to represent image style and appearance, allowing it to be integrated into natural language sentences to generate novel synthesised images. However, identifying multiple unknown object-level concepts within one scene remains a complex challenge. While recent methods have resorted to cropping or masking individual images to learn multiple concepts, these techniques often require prior knowledge of new concepts and are labour-intensive. To address this challenge, we introduce Multi-Concept Prompt Learning (MCPL), where multiple unknown "words" are simultaneously learned from a single sentence-image pair, without any imagery annotations. To enhance the accuracy of word-concept correlation and refine attention mask boundaries, we propose three regularisation techniques: Attention Masking, Prompts Contrastive Loss, and Bind Adjective. Extensive quantitative comparisons with both real-world categories and biomedical images demonstrate that our method can learn new semantically disentangled concepts. Our approach emphasises learning solely from textual embeddings, using less than 10% of the storage space compared to others. The project page, code, and data are available at https://astrazeneca.github.io/mcpl.github.io.

cs.CV↗

arXiv2024

Tackling Structural Hallucination in Image Translation with Local Diffusion

Recent developments in diffusion models have advanced conditioned image generation, yet they struggle with reconstructing out-of-distribution (OOD) images, such as unseen tumors in medical images, causing "image hallucination" and risking misdiagnosis. We hypothesize such hallucinations result from local OOD regions in the conditional images. We verify that partitioning the OOD region and conducting separate image generations alleviates hallucinations in several applications. From this, we propose a training-free diffusion framework that reduces hallucination with multiple Local Diffusion processes. Our approach involves OOD estimation followed by two modules: a "branching" module generates locally both within and outside OOD regions, and a "fusion" module integrates these predictions into one. Our evaluation shows our method mitigates hallucination over baseline models quantitatively and qualitatively, reducing misdiagnosis by 40% and 25% in the real-world medical and natural image datasets, respectively. It also demonstrates compatibility with various pre-trained diffusion models.

cs.CV↗

arXiv2023

Unlocking the Heart Using Adaptive Locked Agnostic Networks

Supervised training of deep learning models for medical imaging applications requires a significant amount of labeled data. This is posing a challenge as the images are required to be annotated by medical professionals. To address this limitation, we introduce the Adaptive Locked Agnostic Network (ALAN), a concept involving self-supervised visual feature extraction using a large backbone model to produce anatomically robust semantic self-segmentation. In the ALAN methodology, this self-supervised training occurs only once on a large and diverse dataset. Due to the intuitive interpretability of the segmentation, downstream models tailored for specific tasks can be easily designed using white-box models with few parameters. This, in turn, opens up the possibility of communicating the inner workings of a model with domain experts and introducing prior knowledge into it. It also means that the downstream models become less data-hungry compared to fully supervised approaches. These characteristics make ALAN particularly well-suited for resource-scarce scenarios, such as costly clinical trials and rare diseases. In this paper, we apply the ALAN approach to three publicly available echocardiography datasets: EchoNet-Dynamic, CAMUS, and TMED-2. Our findings demonstrate that the self-supervised backbone model robustly identifies anatomical subregions of the heart in an apical four-chamber view. Building upon this, we design two downstream models, one for segmenting a target anatomical region, and a second for echocardiogram view classification.

cs.CV↗

arXiv2022

Semi-Discriminative Representation Loss for Online Continual Learning

The use of episodic memory in continual learning has demonstrated effectiveness for alleviating catastrophic forgetting. In recent studies, gradient-based approaches have been developed to make more efficient use of compact episodic memory. Such approaches refine the gradients resulting from new samples by those from memorized samples, aiming to reduce the diversity of gradients from different tasks. In this paper, we clarify the relation between diversity of gradients and discriminativeness of representations, showing shared as well as conflicting interests between Deep Metric Learning and continual learning, thus demonstrating pros and cons of learning discriminative representations in continual learning. Based on these findings, we propose a simple method -- Semi-Discriminative Representation Loss (SDRL) -- for continual learning. In comparison with state-of-the-art methods, SDRL shows better performance with low computational cost on multiple benchmark tasks in the setting of online continual learning.

stat.ML↗

arXiv2021

Continual Density Ratio Estimation in an Online Setting

In online applications with streaming data, awareness of how far the training or test set has shifted away from the original dataset can be crucial to the performance of the model. However, we may not have access to historical samples in the data stream. To cope with such situations, we propose a novel method, Continual Density Ratio Estimation (CDRE), for estimating density ratios between the initial and current distributions ($p/q_t$) of a data stream in an iterative fashion without the need of storing past samples, where $q_t$ is shifting away from $p$ over time $t$. We demonstrate that CDRE can be more accurate than standard DRE in terms of estimating divergences between distributions, despite not requiring samples from the original distribution. CDRE can be applied in scenarios of online learning, such as importance weighted covariate shift, tracing dataset changes for better decision making. In addition, (CDRE) enables the evaluation of generative models under the setting of continual learning. To the best of our knowledge, there is no existing method that can evaluate generative models in continual learning without storing samples from the original distribution.

stat.ML↗

arXiv2020

Interpretable Anomaly Detection with Mondrian P{ó}lya Forests on Data Streams

Anomaly detection at scale is an extremely challenging problem of great practicality. When data is large and high-dimensional, it can be difficult to detect which observations do not fit the expected behaviour. Recent work has coalesced on variations of (random) $k$\emph{d-trees} to summarise data for anomaly detection. However, these methods rely on ad-hoc score functions that are not easy to interpret, making it difficult to asses the severity of the detected anomalies or select a reasonable threshold in the absence of labelled anomalies. To solve these issues, we contextualise these methods in a probabilistic framework which we call the Mondrian \Polya{} Forest for estimating the underlying probability density function generating the data and enabling greater interpretability than prior work. In addition, we develop a memory efficient variant able to operate in the modern streaming environments. Our experiments show that these methods achieves state-of-the-art performance while providing statistically interpretable anomaly scores.

cs.LG↗

arXiv2020

Automatic Discovery of Privacy-Utility Pareto Fronts

Differential privacy is a mathematical framework for privacy-preserving data analysis. Changing the hyperparameters of a differentially private algorithm allows one to trade off privacy and utility in a principled way. Quantifying this trade-off in advance is essential to decision-makers tasked with deciding how much privacy can be provided in a particular application while maintaining acceptable utility. Analytical utility guarantees offer a rigorous tool to reason about this trade-off, but are generally only available for relatively simple problems. For more complex tasks, such as training neural networks under differential privacy, the utility achieved by a given algorithm can only be measured empirically. This paper presents a Bayesian optimization methodology for efficiently characterizing the privacy--utility trade-off of any differentially private algorithm using only empirical measurements of its utility. The versatility of our method is illustrated on a number of machine learning tasks involving multiple models, optimizers, and datasets.

stat.ML↗

arXiv2020

Optimal Continual Learning has Perfect Memory and is NP-hard

Continual Learning (CL) algorithms incrementally learn a predictor or representation across multiple sequentially observed tasks. Designing CL algorithms that perform reliably and avoid so-called catastrophic forgetting has proven a persistent challenge. The current paper develops a theoretical approach that explains why. In particular, we derive the computational properties which CL algorithms would have to possess in order to avoid catastrophic forgetting. Our main finding is that such optimal CL algorithms generally solve an NP-hard problem and will require perfect memory to do so. The findings are of theoretical interest, but also explain the excellent performance of CL algorithms using experience replay, episodic memory and core sets relative to regularization-based approaches.

cs.LG↗