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James Hensman

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Published work

23 published item(s)

preprint2026arXiv

OptRot: Mitigating Weight Outliers via Data-Free Rotations for Post-Training Quantization

The presence of outliers in Large Language Models (LLMs) weights and activations makes them difficult to quantize. Recent work has leveraged rotations to mitigate these outliers. In this work, we propose methods that learn fusible rotations by minimizing principled and cheap proxy objectives to the weight quantization error. We primarily focus on GPTQ as the quantization method. Our main method is OptRot, which reduces weight outliers simply by minimizing the element-wise fourth power of the rotated weights. We show that OptRot outperforms both Hadamard rotations and more expensive, data-dependent methods like SpinQuant and OSTQuant for weight quantization. It also improves activation quantization in the W4A8 setting. We also propose a data-dependent method, OptRot$^{+}$, that further improves performance by incorporating information on the activation covariance. In the W4A4 setting, we see that both OptRot and OptRot$^{+}$ perform worse, highlighting a trade-off between weight and activation quantization.

preprint2026arXiv

Revisiting Transformer Layer Parameterization Through Causal Energy Minimization

Transformer blocks typically combine multi-head attention (MHA) for token mixing with gated MLPs for token-wise feature transformation, yet many choices in their parameterization remain largely empirical. We introduce Causal Energy Minimization (CEM), a framework that recasts Transformer layers as optimization steps on conditional energy functions while explicitly accounting for layer parameterization. Extending prior energy-based interpretations of attention, CEM shows that weight-tied MHA can be derived as a gradient update on an interaction energy, and that a gated MLP with shared up/down projections can be viewed through an element-wise energy. This perspective identifies a design space for Transformer layers that includes within-layer weight sharing, diagonal-plus-low-rank interactions, lightweight preconditioners, and recursive updates. We evaluate CEM-derived layers in language-modeling experiments at the moderate hundred-million-parameter scale. Despite their constrained parameterizations, these layers train stably and can match corresponding Transformer baselines. Overall, our results suggest that CEM provides a useful lens for understanding Transformer layer parameterization, connecting Transformer architectures to energy-based models and motivating further exploration of energy-guided layer designs.

preprint2022arXiv

Additive Gaussian Processes Revisited

Gaussian Process (GP) models are a class of flexible non-parametric models that have rich representational power. By using a Gaussian process with additive structure, complex responses can be modelled whilst retaining interpretability. Previous work showed that additive Gaussian process models require high-dimensional interaction terms. We propose the orthogonal additive kernel (OAK), which imposes an orthogonality constraint on the additive functions, enabling an identifiable, low-dimensional representation of the functional relationship. We connect the OAK kernel to functional ANOVA decomposition, and show improved convergence rates for sparse computation methods. With only a small number of additive low-dimensional terms, we demonstrate the OAK model achieves similar or better predictive performance compared to black-box models, while retaining interpretability.

preprint2020arXiv

A Framework for Interdomain and Multioutput Gaussian Processes

One obstacle to the use of Gaussian processes (GPs) in large-scale problems, and as a component in deep learning system, is the need for bespoke derivations and implementations for small variations in the model or inference. In order to improve the utility of GPs we need a modular system that allows rapid implementation and testing, as seen in the neural network community. We present a mathematical and software framework for scalable approximate inference in GPs, which combines interdomain approximations and multiple outputs. Our framework, implemented in GPflow, provides a unified interface for many existing multioutput models, as well as more recent convolutional structures. This simplifies the creation of deep models with GPs, and we hope that this work will encourage more interest in this approach.

preprint2020arXiv

Amortized variance reduction for doubly stochastic objectives

Approximate inference in complex probabilistic models such as deep Gaussian processes requires the optimisation of doubly stochastic objective functions. These objectives incorporate randomness both from mini-batch subsampling of the data and from Monte Carlo estimation of expectations. If the gradient variance is high, the stochastic optimisation problem becomes difficult with a slow rate of convergence. Control variates can be used to reduce the variance, but past approaches do not take into account how mini-batch stochasticity affects sampling stochasticity, resulting in sub-optimal variance reduction. We propose a new approach in which we use a recognition network to cheaply approximate the optimal control variate for each mini-batch, with no additional model gradient computations. We illustrate the properties of this proposal and test its performance on logistic regression and deep Gaussian processes.

preprint2020arXiv

Bayesian Image Classification with Deep Convolutional Gaussian Processes

In decision-making systems, it is important to have classifiers that have calibrated uncertainties, with an optimisation objective that can be used for automated model selection and training. Gaussian processes (GPs) provide uncertainty estimates and a marginal likelihood objective, but their weak inductive biases lead to inferior accuracy. This has limited their applicability in certain tasks (e.g. image classification). We propose a translation-insensitive convolutional kernel, which relaxes the translation invariance constraint imposed by previous convolutional GPs. We show how we can use the marginal likelihood to learn the degree of insensitivity. We also reformulate GP image-to-image convolutional mappings as multi-output GPs, leading to deep convolutional GPs. We show experimentally that our new kernel improves performance in both single-layer and deep models. We also demonstrate that our fully Bayesian approach improves on dropout-based Bayesian deep learning methods in terms of uncertainty and marginal likelihood estimates.

preprint2020arXiv

Doubly Sparse Variational Gaussian Processes

The use of Gaussian process models is typically limited to datasets with a few tens of thousands of observations due to their complexity and memory footprint. The two most commonly used methods to overcome this limitation are 1) the variational sparse approximation which relies on inducing points and 2) the state-space equivalent formulation of Gaussian processes which can be seen as exploiting some sparsity in the precision matrix. We propose to take the best of both worlds: we show that the inducing point framework is still valid for state space models and that it can bring further computational and memory savings. Furthermore, we provide the natural gradient formulation for the proposed variational parameterisation. Finally, this work makes it possible to use the state-space formulation inside deep Gaussian process models as illustrated in one of the experiments.

preprint2020arXiv

Sparse Gaussian Processes with Spherical Harmonic Features

We introduce a new class of inter-domain variational Gaussian processes (GP) where data is mapped onto the unit hypersphere in order to use spherical harmonic representations. Our inference scheme is comparable to variational Fourier features, but it does not suffer from the curse of dimensionality, and leads to diagonal covariance matrices between inducing variables. This enables a speed-up in inference, because it bypasses the need to invert large covariance matrices. Our experiments show that our model is able to fit a regression model for a dataset with 6 million entries two orders of magnitude faster compared to standard sparse GPs, while retaining state of the art accuracy. We also demonstrate competitive performance on classification with non-conjugate likelihoods.

preprint2016arXiv

Chained Gaussian Processes

Gaussian process models are flexible, Bayesian non-parametric approaches to regression. Properties of multivariate Gaussians mean that they can be combined linearly in the manner of additive models and via a link function (like in generalized linear models) to handle non-Gaussian data. However, the link function formalism is restrictive, link functions are always invertible and must convert a parameter of interest to a linear combination of the underlying processes. There are many likelihoods and models where a non-linear combination is more appropriate. We term these more general models Chained Gaussian Processes: the transformation of the GPs to the likelihood parameters will not generally be invertible, and that implies that linearisation would only be possible with multiple (localized) links, i.e. a chain. We develop an approximate inference procedure for Chained GPs that is scalable and applicable to any factorized likelihood. We demonstrate the approximation on a range of likelihood functions.

preprint2016arXiv

Gaussian process models for periodicity detection

We consider the problem of detecting and quantifying the periodic component of a function given noise-corrupted observations of a limited number of input/output tuples. Our approach is based on Gaussian process regression which provides a flexible non-parametric framework for modelling periodic data. We introduce a novel decomposition of the covariance function as the sum of periodic and aperiodic kernels. This decomposition allows for the creation of sub-models which capture the periodic nature of the signal and its complement. To quantify the periodicity of the signal, we derive a periodicity ratio which reflects the uncertainty in the fitted sub-models. Although the method can be applied to many kernels, we give a special emphasis to the Matérn family, from the expression of the reproducing kernel Hilbert space inner product to the implementation of the associated periodic kernels in a Gaussian process toolkit. The proposed method is illustrated by considering the detection of periodically expressed genes in the arabidopsis genome.

preprint2016arXiv

GPflow: A Gaussian process library using TensorFlow

GPflow is a Gaussian process library that uses TensorFlow for its core computations and Python for its front end. The distinguishing features of GPflow are that it uses variational inference as the primary approximation method, provides concise code through the use of automatic differentiation, has been engineered with a particular emphasis on software testing and is able to exploit GPU hardware.

preprint2015arXiv

ABC for climate: dealing with expensive simulators

This paper is due to appear as a chapter of the forthcoming Handbook of Approximate Bayesian Computation (ABC) by S. Sisson, L. Fan, and M. Beaumont. We describe the challenge of calibrating climate simulators, and discuss the differences in emphasis in climate science compared to many of the more traditional ABC application areas. The primary difficulty is how to do inference with a computationally expensive simulator which we can only afford to run a small number of times, and we describe how Gaussian process emulators are used as surrogate models in this case. We introduce the idea of history matching, which is a non-probabilistic calibration method, which divides the parameter space into (not im)plausible and implausible regions. History matching can be shown to be a special case of ABC, but with a greater emphasis on defining realistic simulator discrepancy bounds, and using these to define tolerances and metrics. We describe a design approach for choosing parameter values at which to run the simulator, and illustrate the approach on a toy climate model, showing that with careful design we can find the plausible region with a very small number of model evaluations. Finally, we describe how calibrated GENIE-1 (an earth system model of intermediate complexity) predictions have been used, and why it is important to accurately characterise parametric uncertainty.

preprint2015arXiv

Fast and accurate approximate inference of transcript expression from RNA-seq data

Motivation: Assigning RNA-seq reads to their transcript of origin is a fundamental task in transcript expression estimation. Where ambiguities in assignments exist due to transcripts sharing sequence, e.g. alternative isoforms or alleles, the problem can be solved through probabilistic inference. Bayesian methods have been shown to provide accurate transcript abundance estimates compared to competing methods. However, exact Bayesian inference is intractable and approximate methods such as Markov chain Monte Carlo (MCMC) and Variational Bayes (VB) are typically used. While providing a high degree of accuracy and modelling flexibility, standard implementations can be prohibitively slow for large datasets and complex transcriptome annotations. Results: We propose a novel approximate inference scheme based on VB and apply it to an existing model of transcript expression inference from RNA-seq data. Recent advances in VB algorithmics are used to improve the convergence of the algorithm beyond the standard Variational Bayes Expectation Maximisation (VBEM) algorithm. We apply our algorithm to simulated and biological datasets, demonstrating a significant increase in speed with only very small loss in accuracy of expression level estimation. We carry out a comparative study against seven popular alternative methods and demonstrate that our new algorithm provides excellent accuracy and inter-replicate consistency while remaining competitive in computation time. Availability: The methods were implemented in R and C++, and are available as part of the BitSeq project at \url{https://github.com/BitSeq}. The method is also available through the BitSeq Bioconductor package. The source code to reproduce all simulation results can be accessed via \url{https://github.com/BitSeq/BitSeqVB_benchmarking}.

preprint2015arXiv

Fast Approximate Inference of Transcript Expression Levels from RNA-seq Data

Motivation: The mapping of RNA-seq reads to their transcripts of origin is a fundamental task in transcript expression estimation and differential expression scoring. Where ambiguities in mapping exist due to transcripts sharing sequence, e.g. alternative isoforms or alleles, the problem becomes an instance of non-trivial probabilistic inference. Bayesian inference in such a problem is intractable and approximate methods must be used such as Markov chain Monte Carlo (MCMC) and Variational Bayes. Standard implementations of these methods can be prohibitively slow for large datasets and complex gene models. Results: We propose an approximate inference scheme based on Variational Bayes applied to an existing model of transcript expression inference from RNA-seq data. We apply recent advances in Variational Bayes algorithmics to improve the convergence of the algorithm beyond the standard variational expectation-maximisation approach. We apply our algorithm to simulated and biological datasets, demonstrating that the increase in speed requires only a small trade-off in accuracy of expression level estimation. Availability: The methods were implemented in R and C++, and are available as part of the BitSeq project at https://code.google.com/p/bitseq/. The methods will be made available through the BitSeq Bioconductor package at the next stable release.

preprint2015arXiv

MCMC for Variationally Sparse Gaussian Processes

Gaussian process (GP) models form a core part of probabilistic machine learning. Considerable research effort has been made into attacking three issues with GP models: how to compute efficiently when the number of data is large; how to approximate the posterior when the likelihood is not Gaussian and how to estimate covariance function parameter posteriors. This paper simultaneously addresses these, using a variational approximation to the posterior which is sparse in support of the function but otherwise free-form. The result is a Hybrid Monte-Carlo sampling scheme which allows for a non-Gaussian approximation over the function values and covariance parameters simultaneously, with efficient computations based on inducing-point sparse GPs. Code to replicate each experiment in this paper will be available shortly.

preprint2015arXiv

On Sparse variational methods and the Kullback-Leibler divergence between stochastic processes

The variational framework for learning inducing variables (Titsias, 2009a) has had a large impact on the Gaussian process literature. The framework may be interpreted as minimizing a rigorously defined Kullback-Leibler divergence between the approximating and posterior processes. To our knowledge this connection has thus far gone unremarked in the literature. In this paper we give a substantial generalization of the literature on this topic. We give a new proof of the result for infinite index sets which allows inducing points that are not data points and likelihoods that depend on all function values. We then discuss augmented index sets and show that, contrary to previous works, marginal consistency of augmentation is not enough to guarantee consistency of variational inference with the original model. We then characterize an extra condition where such a guarantee is obtainable. Finally we show how our framework sheds light on interdomain sparse approximations and sparse approximations for Cox processes.

preprint2015arXiv

Spike and Slab Gaussian Process Latent Variable Models

The Gaussian process latent variable model (GP-LVM) is a popular approach to non-linear probabilistic dimensionality reduction. One design choice for the model is the number of latent variables. We present a spike and slab prior for the GP-LVM and propose an efficient variational inference procedure that gives a lower bound of the log marginal likelihood. The new model provides a more principled approach for selecting latent dimensions than the standard way of thresholding the length-scale parameters. The effectiveness of our approach is demonstrated through experiments on real and simulated data. Further, we extend multi-view Gaussian processes that rely on sharing latent dimensions (known as manifold relevance determination) with spike and slab priors. This allows a more principled approach for selecting a subset of the latent space for each view of data. The extended model outperforms the previous state-of-the-art when applied to a cross-modal multimedia retrieval task.

preprint2014arXiv

Fast nonparametric clustering of structured time-series

In this publication, we combine two Bayesian non-parametric models: the Gaussian Process (GP) and the Dirichlet Process (DP). Our innovation in the GP model is to introduce a variation on the GP prior which enables us to model structured time-series data, i.e. data containing groups where we wish to model inter- and intra-group variability. Our innovation in the DP model is an implementation of a new fast collapsed variational inference procedure which enables us to optimize our variationala pproximation significantly faster than standard VB approaches. In a biological time series application we show how our model better captures salient features of the data, leading to better consistency with existing biological classifications, while the associated inference algorithm provides a twofold speed-up over EM-based variational inference.

preprint2014arXiv

Gaussian Process Models with Parallelization and GPU acceleration

In this work, we present an extension of Gaussian process (GP) models with sophisticated parallelization and GPU acceleration. The parallelization scheme arises naturally from the modular computational structure w.r.t. datapoints in the sparse Gaussian process formulation. Additionally, the computational bottleneck is implemented with GPU acceleration for further speed up. Combining both techniques allows applying Gaussian process models to millions of datapoints. The efficiency of our algorithm is demonstrated with a synthetic dataset. Its source code has been integrated into our popular software library GPy.

preprint2014arXiv

Nested Variational Compression in Deep Gaussian Processes

Deep Gaussian processes provide a flexible approach to probabilistic modelling of data using either supervised or unsupervised learning. For tractable inference approximations to the marginal likelihood of the model must be made. The original approach to approximate inference in these models used variational compression to allow for approximate variational marginalization of the hidden variables leading to a lower bound on the marginal likelihood of the model [Damianou and Lawrence, 2013]. In this paper we extend this idea with a nested variational compression. The resulting lower bound on the likelihood can be easily parallelized or adapted for stochastic variational inference.

preprint2013arXiv

Gaussian Processes for Big Data

We introduce stochastic variational inference for Gaussian process models. This enables the application of Gaussian process (GP) models to data sets containing millions of data points. We show how GPs can be vari- ationally decomposed to depend on a set of globally relevant inducing variables which factorize the model in the necessary manner to perform variational inference. Our ap- proach is readily extended to models with non-Gaussian likelihoods and latent variable models based around Gaussian processes. We demonstrate the approach on a simple toy problem and two real world data sets.

preprint2012arXiv

Fast Variational Inference in the Conjugate Exponential Family

We present a general method for deriving collapsed variational inference algo- rithms for probabilistic models in the conjugate exponential family. Our method unifies many existing approaches to collapsed variational inference. Our collapsed variational inference leads to a new lower bound on the marginal likelihood. We exploit the information geometry of the bound to derive much faster optimization methods based on conjugate gradients for these models. Our approach is very general and is easily applied to any model where the mean field update equations have been derived. Empirically we show significant speed-ups for probabilistic models optimized using our bound.