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Charles O'Neill

Publications and source records attributed to Charles O'Neill.

At least 19 recordsLinked to original sources

Post-Training Science for Supervised Fine-Tuning

Every supervised fine-tuning run forces the same chain of decisions, such as learning rate, batch size, LoRA or full fine-tuning, how many epochs, which optimiser, and what data to feed the model. Each of these is typically rediscovered from scratch for every new model and dataset. Here we measure them under one instrument: a sweep that varies one lever at a time, and spans dense and mixture-of-experts models in two families (Qwen3 and Llama), on four real-world customer SFT datasets, for both LoRA and full fine-tuning. These datasets give a controlled testbed: each task carries an evaluation built with the customer, and its training data is produced by iterative supervised fine-tuning that refines model outputs until they pass that evaluation, so the supervised target is internally consistent and the task judge we report against is the criterion the data was built to satisfy. We ask how the optimal learning rate and batch size move with model scale, family, and data, and whether one selection rule transfers across them; what LoRA trades against full fine-tuning, and how its rank and alpha set what the adapter can learn; whether validation loss (or other metrics, such as loss landscape flatness) faithfully ranks downstream quality; whether post-training gains scale with model size and data volume, on a model ladder extended through mixtures-of-experts to 235B parameters; how many epochs to train before general instruction-following erodes; and whether a geometry-aware optimiser improves on AdamW. Each recommendation is paired with a measure of its uncertainty.

cs.LG

Can a Language Model Learn Facts Continually in Its Weights?

Continual learning promises a language model that keeps acquiring knowledge after training, with each new fact written into its weights. Whether weight writes can support accumulation remains undecided. We follow invented facts written into Qwen3 models from creation through sequences of twenty to one hundred later writes, using held-out questions of five types, with the original model given the fact in its prompt as the reference. Across these experiments, the breadth of the training data determines the kind of knowledge created. Bare-statement training produces recitation, while diverse restatements reduce the recitation-to-use gap from 27.4 to 5.4 points without showing the model a conclusion. This difference carries into later writes: after twenty sequential writes, bare-statement facts retain 1% accuracy while facts written from broad study data retain 46%. We also find that facts can be behaviourally forgotten without being erased. Forgotten facts keep most of the log-probability added by their write, and under bare-statement training 70% of wrong answers about them contain the most recently written fact. The same writes barely degrade the model's use of facts in context, and a forgotten study fact supplied in the prompt recovers to 77-80% on its questions. These results describe knowledge that is stored but question-keyed: later writes redirect the questions that reached it. Damage to unrelated abilities tracks KL divergence from the original model, and the later writes cause interference regardless of how the earlier fact was stored. Broad data can create usable knowledge, and a frozen reference can preserve capability, but no intervention we tested, including those built on accurate local measurements of each write, keeps earlier facts reachable. When facts must be composed or survive later writes, the reliable channel is context rather than the weights.

cs.CL

DiscoGen: Procedural Generation of Algorithm Discovery Tasks in Machine Learning

Automating the development of machine learning algorithms has the potential to unlock new breakthroughs. However, our ability to improve and evaluate algorithm discovery systems has thus far been limited by existing task suites. They suffer from many issues, such as: poor evaluation methodologies; data contamination; and containing saturated or very similar problems. Here, we introduce DiscoGen, a procedural generator of algorithm discovery tasks for machine learning, such as developing optimisers for reinforcement learning or loss functions for image classification. Motivated by the success of procedural generation in reinforcement learning, DiscoGen spans billions of tasks of varying difficulty and complexity from a range of machine learning fields. These tasks are specified by a small number of configuration parameters and can be used to optimise algorithm discovery agents (ADAs). We present DiscoBench, a fixed, small subset of DiscoGen tasks for principled evaluation of ADAs. Finally, we propose a number of ambitious, impactful research directions enabled by DiscoGen, and demonstrate its use for ADA optimisation through scaling experiments for automated prompt tuning. DiscoGen is released open-source at https://github.com/AlexGoldie/discogen.

cs.LG

Still: Amortized KV Cache Compaction in a Single Forward Pass

The KV cache is the memory bottleneck of long-horizon language model deployment. Practically, a deployable compactor must be lightweight enough to call during inference, expressive enough to preserve context under constraint, and reusable across a trajectory. Existing compaction methods satisfy only part of this requirement: selection methods are lightweight but subset-bound, while synthesis methods are expressive but rely on per-context optimization. Here we introduce Still, a small per-layer Perceiver trained once against a frozen base model that produces compact keys and values in a single forward pass. On Qwen and Gemma models, Still occupies the favorable side of the speed--quality frontier across compression ratios from $8\times$ to $200\times$ and context lengths from $8$k to $128$k. On the long-context RULER grid, Still exceeds the strongest baseline by 8--22 points. The same compact cache also supports free-form summarization, preserving most of the full-context gain on HELMET and winning a pairwise LongBench summarization comparison against KV-Distill. Because compaction is a forward pass, Still can be applied iteratively, entering a long-horizon regime unavailable to per-context methods. We show that amortization makes long-context cache compaction tractable, and synthesis makes its compact state useful at extreme compression.

cs.LG

Resurrecting the Salmon: Rethinking Mechanistic Interpretability with Domain-Specific Sparse Autoencoders

Sparse autoencoders (SAEs) decompose large language model (LLM) activations into latent features that reveal mechanistic structure. Conventional SAEs train on broad data distributions, forcing a fixed latent budget to capture only high-frequency, generic patterns. This often results in significant linear ``dark matter'' in reconstruction error and produces latents that fragment or absorb each other, complicating interpretation. We show that restricting SAE training to a well-defined domain (medical text) reallocates capacity to domain-specific features, improving both reconstruction fidelity and interpretability. Training JumpReLU SAEs on layer-20 activations of Gemma-2 models using 195k clinical QA examples, we find that domain-confined SAEs explain up to 20\% more variance, achieve higher loss recovery, and reduce linear residual error compared to broad-domain SAEs. Automated and human evaluations confirm that learned features align with clinically meaningful concepts (e.g., ``taste sensations'' or ``infectious mononucleosis''), rather than frequent but uninformative tokens. These domain-specific SAEs capture relevant linear structure, leaving a smaller, more purely nonlinear residual. We conclude that domain-confinement mitigates key limitations of broad-domain SAEs, enabling more complete and interpretable latent decompositions, and suggesting the field may need to question ``foundation-model'' scaling for general-purpose SAEs.

cs.LG

A Single Direction of Truth: An Observer Model's Linear Residual Probe Exposes and Steers Contextual Hallucinations

Contextual hallucinations -- statements unsupported by given context -- remain a significant challenge in AI. We demonstrate a practical interpretability insight: a generator-agnostic observer model detects hallucinations via a single forward pass and a linear probe on its residual stream. This probe isolates a single, transferable linear direction separating hallucinated from faithful text, outperforming baselines by 5-27 points and showing robust mid-layer performance across Gemma-2 models (2B to 27B). Gradient-times-activation localises this signal to sparse, late-layer MLP activity. Critically, manipulating this direction causally steers generator hallucination rates, proving its actionability. Our results offer novel evidence of internal, low-dimensional hallucination tracking linked to specific MLP sub-circuits, exploitable for detection and mitigation. We release the 2000-example ContraTales benchmark for realistic assessment of such solutions.

cs.LG

Sparks of Science: Hypothesis Generation Using Structured Paper Data

Generating novel and creative scientific hypotheses is a cornerstone in achieving Artificial General Intelligence. Large language and reasoning models have the potential to aid in the systematic creation, selection, and validation of scientifically informed hypotheses. However, current foundation models often struggle to produce scientific ideas that are both novel and feasible. One reason is the lack of a dedicated dataset that frames Scientific Hypothesis Generation (SHG) as a Natural Language Generation (NLG) task. In this paper, we introduce HypoGen, the first dataset of approximately 5500 structured problem-hypothesis pairs extracted from top-tier computer science conferences structured with a Bit-Flip-Spark schema, where the Bit is the conventional assumption, the Spark is the key insight or conceptual leap, and the Flip is the resulting counterproposal. HypoGen uniquely integrates an explicit Chain-of-Reasoning component that reflects the intellectual process from Bit to Flip. We demonstrate that framing hypothesis generation as conditional language modelling, with the model fine-tuned on Bit-Flip-Spark and the Chain-of-Reasoning (and where, at inference, we only provide the Bit), leads to improvements in the overall quality of the hypotheses. Our evaluation employs automated metrics and LLM judge rankings for overall quality assessment. We show that by fine-tuning on our HypoGen dataset we improve the novelty, feasibility, and overall quality of the generated hypotheses. The HypoGen dataset is publicly available at huggingface.co/datasets/UniverseTBD/hypogen-dr1.

cs.CL

From superposition to sparse codes: interpretable representations in neural networks

Understanding how information is represented in neural networks is a fundamental challenge in both neuroscience and artificial intelligence. Despite their nonlinear architectures, recent evidence suggests that neural networks encode features in superposition, meaning that input concepts are linearly overlaid within the network's representations. We present a perspective that explains this phenomenon and provides a foundation for extracting interpretable representations from neural activations. Our theoretical framework consists of three steps: (1) Identifiability theory shows that neural networks trained for classification recover latent features up to a linear transformation. (2) Sparse coding methods can extract disentangled features from these representations by leveraging principles from compressed sensing. (3) Quantitative interpretability metrics provide a means to assess the success of these methods, ensuring that extracted features align with human-interpretable concepts. By bridging insights from theoretical neuroscience, representation learning, and interpretability research, we propose an emerging perspective on understanding neural representations in both artificial and biological systems. Our arguments have implications for neural coding theories, AI transparency, and the broader goal of making deep learning models more interpretable.

cs.LG

Compute Optimal Inference and Provable Amortisation Gap in Sparse Autoencoders

A recent line of work has shown promise in using sparse autoencoders (SAEs) to uncover interpretable features in neural network representations. However, the simple linear-nonlinear encoding mechanism in SAEs limits their ability to perform accurate sparse inference. Using compressed sensing theory, we prove that an SAE encoder is inherently insufficient for accurate sparse inference, even in solvable cases. We then decouple encoding and decoding processes to empirically explore conditions where more sophisticated sparse inference methods outperform traditional SAE encoders. Our results reveal substantial performance gains with minimal compute increases in correct inference of sparse codes. We demonstrate this generalises to SAEs applied to large language models, where more expressive encoders achieve greater interpretability. This work opens new avenues for understanding neural network representations and analysing large language model activations.

cs.LG

Self-Attention as a Parametric Endofunctor: A Categorical Framework for Transformer Architectures

Self-attention mechanisms have revolutionised deep learning architectures, yet their core mathematical structures remain incompletely understood. In this work, we develop a category-theoretic framework focusing on the linear components of self-attention. Specifically, we show that the query, key, and value maps naturally define a parametric 1-morphism in the 2-category $\mathbf{Para(Vect)}$. On the underlying 1-category $\mathbf{Vect}$, these maps induce an endofunctor whose iterated composition precisely models multi-layer attention. We further prove that stacking multiple self-attention layers corresponds to constructing the free monad on this endofunctor. For positional encodings, we demonstrate that strictly additive embeddings correspond to monoid actions in an affine sense, while standard sinusoidal encodings, though not additive, retain a universal property among injective (faithful) position-preserving maps. We also establish that the linear portions of self-attention exhibit natural equivariance to permutations of input tokens, and show how the "circuits" identified in mechanistic interpretability can be interpreted as compositions of parametric 1-morphisms. This categorical perspective unifies geometric, algebraic, and interpretability-based approaches to transformer analysis, making explicit the underlying structures of attention. We restrict to linear maps throughout, deferring the treatment of nonlinearities such as softmax and layer normalisation, which require more advanced categorical constructions. Our results build on and extend recent work on category-theoretic foundations for deep learning, offering deeper insights into the algebraic structure of attention mechanisms.

cs.LG

Disentangling Dense Embeddings with Sparse Autoencoders

Sparse autoencoders (SAEs) have shown promise in extracting interpretable features from complex neural networks. We present one of the first applications of SAEs to dense text embeddings from large language models, demonstrating their effectiveness in disentangling semantic concepts. By training SAEs on embeddings of over 420,000 scientific paper abstracts from computer science and astronomy, we show that the resulting sparse representations maintain semantic fidelity while offering interpretability. We analyse these learned features, exploring their behaviour across different model capacities and introducing a novel method for identifying ``feature families'' that represent related concepts at varying levels of abstraction. To demonstrate the practical utility of our approach, we show how these interpretable features can be used to precisely steer semantic search, allowing for fine-grained control over query semantics. This work bridges the gap between the semantic richness of dense embeddings and the interpretability of sparse representations. We open source our embeddings, trained sparse autoencoders, and interpreted features, as well as a web app for exploring them.

cs.LG

pathfinder: A Semantic Framework for Literature Review and Knowledge Discovery in Astronomy

The exponential growth of astronomical literature poses significant challenges for researchers navigating and synthesizing general insights or even domain-specific knowledge. We present Pathfinder, a machine learning framework designed to enable literature review and knowledge discovery in astronomy, focusing on semantic searching with natural language instead of syntactic searches with keywords. Utilizing state-of-the-art large language models (LLMs) and a corpus of 350,000 peer-reviewed papers from the Astrophysics Data System (ADS), Pathfinder offers an innovative approach to scientific inquiry and literature exploration. Our framework couples advanced retrieval techniques with LLM-based synthesis to search astronomical literature by semantic context as a complement to currently existing methods that use keywords or citation graphs. It addresses complexities of jargon, named entities, and temporal aspects through time-based and citation-based weighting schemes. We demonstrate the tool's versatility through case studies, showcasing its application in various research scenarios. The system's performance is evaluated using custom benchmarks, including single-paper and multi-paper tasks. Beyond literature review, Pathfinder offers unique capabilities for reformatting answers in ways that are accessible to various audiences (e.g. in a different language or as simplified text), visualizing research landscapes, and tracking the impact of observatories and methodologies. This tool represents a significant advancement in applying AI to astronomical research, aiding researchers at all career stages in navigating modern astronomy literature.

astro-ph.IM

Designing an Evaluation Framework for Large Language Models in Astronomy Research

Large Language Models (LLMs) are shifting how scientific research is done. It is imperative to understand how researchers interact with these models and how scientific sub-communities like astronomy might benefit from them. However, there is currently no standard for evaluating the use of LLMs in astronomy. Therefore, we present the experimental design for an evaluation study on how astronomy researchers interact with LLMs. We deploy a Slack chatbot that can answer queries from users via Retrieval-Augmented Generation (RAG); these responses are grounded in astronomy papers from arXiv. We record and anonymize user questions and chatbot answers, user upvotes and downvotes to LLM responses, user feedback to the LLM, and retrieved documents and similarity scores with the query. Our data collection method will enable future dynamic evaluations of LLM tools for astronomy.

astro-ph.IM

Sparse Autoencoders Enable Scalable and Reliable Circuit Identification in Language Models

This paper introduces an efficient and robust method for discovering interpretable circuits in large language models using discrete sparse autoencoders. Our approach addresses key limitations of existing techniques, namely computational complexity and sensitivity to hyperparameters. We propose training sparse autoencoders on carefully designed positive and negative examples, where the model can only correctly predict the next token for the positive examples. We hypothesise that learned representations of attention head outputs will signal when a head is engaged in specific computations. By discretising the learned representations into integer codes and measuring the overlap between codes unique to positive examples for each head, we enable direct identification of attention heads involved in circuits without the need for expensive ablations or architectural modifications. On three well-studied tasks - indirect object identification, greater-than comparisons, and docstring completion - the proposed method achieves higher precision and recall in recovering ground-truth circuits compared to state-of-the-art baselines, while reducing runtime from hours to seconds. Notably, we require only 5-10 text examples for each task to learn robust representations. Our findings highlight the promise of discrete sparse autoencoders for scalable and efficient mechanistic interpretability, offering a new direction for analysing the inner workings of large language models.

cs.CL

Grokking Beyond Neural Networks: An Empirical Exploration with Model Complexity

In some settings neural networks exhibit a phenomenon known as \textit{grokking}, where they achieve perfect or near-perfect accuracy on the validation set long after the same performance has been achieved on the training set. In this paper, we discover that grokking is not limited to neural networks but occurs in other settings such as Gaussian process (GP) classification, GP regression, linear regression and Bayesian neural networks. We also uncover a mechanism by which to induce grokking on algorithmic datasets via the addition of dimensions containing spurious information. The presence of the phenomenon in non-neural architectures shows that grokking is not restricted to settings considered in current theoretical and empirical studies. Instead, grokking may be possible in any model where solution search is guided by complexity and error.

cs.LG

Measuring Sharpness in Grokking

Neural networks sometimes exhibit grokking, a phenomenon where perfect or near-perfect performance is achieved on a validation set well after the same performance has been obtained on the corresponding training set. In this workshop paper, we introduce a robust technique for measuring grokking, based on fitting an appropriate functional form. We then use this to investigate the sharpness of transitions in training and validation accuracy under two settings. The first setting is the theoretical framework developed by Levi et al. (2023) where closed form expressions are readily accessible. The second setting is a two-layer MLP trained to predict the parity of bits, with grokking induced by the concealment strategy of Miller et al. (2023). We find that trends between relative grokking gap and grokking sharpness are similar in both settings when using absolute and relative measures of sharpness. Reflecting on this, we make progress toward explaining some trends and identify the need for further study to untangle the various mechanisms which influence the sharpness of grokking.

cs.LG

Adversarial Fine-Tuning of Language Models: An Iterative Optimisation Approach for the Generation and Detection of Problematic Content

In this paper, we tackle the emerging challenge of unintended harmful content generation in Large Language Models (LLMs) with a novel dual-stage optimisation technique using adversarial fine-tuning. Our two-pronged approach employs an adversarial model, fine-tuned to generate potentially harmful prompts, and a judge model, iteratively optimised to discern these prompts. In this adversarial cycle, the two models seek to outperform each other in the prompting phase, generating a dataset of rich examples which are then used for fine-tuning. This iterative application of prompting and fine-tuning allows continuous refinement and improved performance. The performance of our approach is evaluated through classification accuracy on a dataset consisting of problematic prompts not detected by GPT-4, as well as a selection of contentious but unproblematic prompts. We show considerable increase in classification accuracy of the judge model on this challenging dataset as it undergoes the optimisation process. Furthermore, we show that a rudimentary model \texttt{ada} can achieve 13\% higher accuracy on the hold-out test set than GPT-4 after only a few rounds of this process, and that this fine-tuning improves performance in parallel tasks such as toxic comment identification.

cs.CL

Steering Language Generation: Harnessing Contrastive Expert Guidance and Negative Prompting for Coherent and Diverse Synthetic Data Generation

Large Language Models (LLMs) hold immense potential to generate synthetic data of high quality and utility, which has numerous applications from downstream model training to practical data utilisation. However, contemporary models, despite their impressive capacities, consistently struggle to produce both coherent and diverse data. To address the coherency issue, we introduce contrastive expert guidance, where the difference between the logit distributions of fine-tuned and base language models is emphasised to ensure domain adherence. In order to ensure diversity, we utilise existing real and synthetic examples as negative prompts to the model. We deem this dual-pronged approach to logit reshaping as STEER: Semantic Text Enhancement via Embedding Repositioning. STEER operates at inference-time and systematically guides the LLMs to strike a balance between adherence to the data distribution (ensuring semantic fidelity) and deviation from prior synthetic examples or existing real datasets (ensuring diversity and authenticity). This delicate balancing act is achieved by dynamically moving towards or away from chosen representations in the latent space. STEER demonstrates improved performance over previous synthetic data generation techniques, exhibiting better balance between data diversity and coherency across three distinct tasks: hypothesis generation, toxic and non-toxic comment generation, and commonsense reasoning task generation. We demonstrate how STEER allows for fine-tuned control over the diversity-coherency trade-off via its hyperparameters, highlighting its versatility.

cs.CL