Author name cluster

Andrew Campbell

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10 papers

2 author rows

ICLR Conference 2025 Conference Paper

Think while You Generate: Discrete Diffusion with Planned Denoising

Sulin Liu
Juno Nam
Andrew Campbell
Hannes Stärk
Yilun Xu
Tommi S. Jaakkola
Rafael Gómez-Bombarelli

Discrete diffusion has achieved state-of-the-art performance, outperforming or approaching autoregressive models on standard benchmarks. In this work, we introduce *Discrete Diffusion with Planned Denoising* (DDPD), a novel framework that separates the generation process into two models: a planner and a denoiser. At inference time, the planner selects which positions to denoise next by identifying the most corrupted positions in need of denoising, including both initially corrupted and those requiring additional refinement. This plan-and-denoise approach enables more efficient reconstruction during generation by iteratively identifying and denoising corruptions in the optimal order. DDPD outperforms traditional denoiser-only mask diffusion methods, achieving superior results on language modeling benchmarks such as *text8*, *OpenWebText*, and token-based generation on *ImageNet 256 × 256*. Notably, in language modeling, DDPD significantly reduces the performance gap between diffusion-based and autoregressive methods in terms of generative perplexity. Code is available at [github.com/liusulin/DDPD](https://github.com/liusulin/DDPD).

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ICML Conference 2024 Conference Paper

Generative Flows on Discrete State-Spaces: Enabling Multimodal Flows with Applications to Protein Co-Design

Andrew Campbell
Jason Yim
Regina Barzilay
Tom Rainforth
Tommi S. Jaakkola

Combining discrete and continuous data is an important capability for generative models. We present Discrete Flow Models (DFMs), a new flow-based model of discrete data that provides the missing link in enabling flow-based generative models to be applied to multimodal continuous and discrete data problems. Our key insight is that the discrete equivalent of continuous space flow matching can be realized using Continuous Time Markov Chains. DFMs benefit from a simple derivation that includes discrete diffusion models as a specific instance while allowing improved performance over existing diffusion-based approaches. We utilize our DFMs method to build a multimodal flow-based modeling framework. We apply this capability to the task of protein co-design, wherein we learn a model for jointly generating protein structure and sequence. Our approach achieves state-of-the-art co-design performance while allowing the same multimodal model to be used for flexible generation of the sequence or structure.

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TMLR Journal 2024 Journal Article

Improved motif-scaffolding with SE(3) flow matching

Jason Yim
Andrew Campbell
Emile Mathieu
Andrew Y. K. Foong
Michael Gastegger
Jose Jimenez-Luna
Sarah Lewis
Victor Garcia Satorras

Protein design often begins with the knowledge of a desired function from a motif which motif-scaffolding aims to construct a functional protein around. Recently, generative models have achieved breakthrough success in designing scaffolds for a range of motifs. However, generated scaffolds tend to lack structural diversity, which can hinder success in wet-lab validation. In this work, we extend FrameFlow, an SE(3) flow matching model for protein backbone generation, to perform motif-scaffolding with two complementary approaches. The first is motif amortization, in which FrameFlow is trained with the motif as input using a data augmentation strategy. The second is motif guidance, which performs scaffolding using an estimate of the conditional score from FrameFlow without additional training. On a benchmark of 24 biologically meaningful motifs, we show our method achieves 2.5 times more designable and unique motif-scaffolds compared to state-of-the-art. Code: https://github.com/microsoft/protein-frame-flow

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NeurIPS Conference 2024 Conference Paper

Score-Optimal Diffusion Schedules

Christopher Williams
Andrew Campbell
Arnaud Doucet
Saifuddin Syed

Denoising diffusion models (DDMs) offer a flexible framework for sampling from high dimensional data distributions. DDMs generate a path of probability distributions interpolating between a reference Gaussian distribution and a data distribution by incrementally injecting noise into the data. To numerically simulate the sampling process, a discretisation schedule from the reference back towards clean data must be chosen. An appropriate discretisation schedule is crucial to obtain high quality samples. However, beyond hand crafted heuristics, a general method for choosing this schedule remains elusive. This paper presents a novel algorithm for adaptively selecting an optimal discretisation schedule with respect to a cost that we derive. Our cost measures the work done by the simulation procedure to transport samples from one point in the diffusion path to the next. Our method does not require hyperparameter tuning and adapts to the dynamics and geometry of the diffusion path. Our algorithm only involves the evaluation of the estimated Stein score, making it scalable to existing pre-trained models at inference time and online during training. We find that our learned schedule recovers performant schedules previously only discovered through manual search and obtains competitive FID scores on image datasets.

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NeurIPS Conference 2023 Conference Paper

Diffusion Schrödinger Bridge Matching

Yuyang Shi
Valentin De Bortoli
Andrew Campbell
Arnaud Doucet

Solving transport problems, i. e. finding a map transporting one given distribution to another, has numerous applications in machine learning. Novel mass transport methods motivated by generative modeling have recently been proposed, e. g. Denoising Diffusion Models (DDMs) and Flow Matching Models (FMMs) implement such a transport through a Stochastic Differential Equation (SDE) or an Ordinary Differential Equation (ODE). However, while it is desirable in many applications to approximate the deterministic dynamic Optimal Transport (OT) map which admits attractive properties, DDMs and FMMs are not guaranteed to provide transports close to the OT map. In contrast, Schrödinger bridges (SBs) compute stochastic dynamic mappings which recover entropy-regularized versions of OT. Unfortunately, existing numerical methods approximating SBs either scale poorly with dimension or accumulate errors across iterations. In this work, we introduce Iterative Markovian Fitting (IMF), a new methodology for solving SB problems, and Diffusion Schrödinger Bridge Matching (DSBM), a novel numerical algorithm for computing IMF iterates. DSBM significantly improves over previous SB numerics and recovers as special/limiting cases various recent transport methods. We demonstrate the performance of DSBM on a variety of problems.

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NeurIPS Conference 2023 Conference Paper

Trans-Dimensional Generative Modeling via Jump Diffusion Models

Andrew Campbell
William Harvey
Christian Weilbach
Valentin De Bortoli
Thomas Rainforth
Arnaud Doucet

We propose a new class of generative model that naturally handles data of varying dimensionality by jointly modeling the state and dimension of each datapoint. The generative process is formulated as a jump diffusion process that makes jumps between different dimensional spaces. We first define a dimension destroying forward noising process, before deriving the dimension creating time-reversed generative process along with a novel evidence lower bound training objective for learning to approximate it. Simulating our learned approximation to the time-reversed generative process then provides an effective way of sampling data of varying dimensionality by jointly generating state values and dimensions. We demonstrate our approach on molecular and video datasets of varying dimensionality, reporting better compatibility with test-time diffusion guidance imputation tasks and improved interpolation capabilities versus fixed dimensional models that generate state values and dimensions separately.

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NeurIPS Conference 2022 Conference Paper

A Continuous Time Framework for Discrete Denoising Models

Andrew Campbell
Joe Benton
Valentin De Bortoli
Thomas Rainforth
George Deligiannidis
Arnaud Doucet

We provide the first complete continuous time framework for denoising diffusion models of discrete data. This is achieved by formulating the forward noising process and corresponding reverse time generative process as Continuous Time Markov Chains (CTMCs). The model can be efficiently trained using a continuous time version of the ELBO. We simulate the high dimensional CTMC using techniques developed in chemical physics and exploit our continuous time framework to derive high performance samplers that we show can outperform discrete time methods for discrete data. The continuous time treatment also enables us to derive a novel theoretical result bounding the error between the generated sample distribution and the true data distribution.

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ICML Conference 2021 Conference Paper

A Gradient Based Strategy for Hamiltonian Monte Carlo Hyperparameter Optimization

Andrew Campbell
Wenlong Chen
Vincent Stimper
José Miguel Hernández-Lobato
Yichuan Zhang

Hamiltonian Monte Carlo (HMC) is one of the most successful sampling methods in machine learning. However, its performance is significantly affected by the choice of hyperparameter values. Existing approaches for optimizing the HMC hyperparameters either optimize a proxy for mixing speed or consider the HMC chain as an implicit variational distribution and optimize a tractable lower bound that can be very loose in practice. Instead, we propose to optimize an objective that quantifies directly the speed of convergence to the target distribution. Our objective can be easily optimized using stochastic gradient descent. We evaluate our proposed method and compare to baselines on a variety of problems including sampling from synthetic 2D distributions, reconstructing sparse signals, learning deep latent variable models and sampling molecular configurations from the Boltzmann distribution of a 22 atom molecule. We find that our method is competitive with or improves upon alternative baselines in all these experiments.

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NeurIPS Conference 2021 Conference Paper

Online Variational Filtering and Parameter Learning

Andrew Campbell
Yuyang Shi
Thomas Rainforth
Arnaud Doucet

We present a variational method for online state estimation and parameter learning in state-space models (SSMs), a ubiquitous class of latent variable models for sequential data. As per standard batch variational techniques, we use stochastic gradients to simultaneously optimize a lower bound on the log evidence with respect to both model parameters and a variational approximation of the states' posterior distribution. However, unlike existing approaches, our method is able to operate in an entirely online manner, such that historic observations do not require revisitation after being incorporated and the cost of updates at each time step remains constant, despite the growing dimensionality of the joint posterior distribution of the states. This is achieved by utilizing backward decompositions of this joint posterior distribution and of its variational approximation, combined with Bellman-type recursions for the evidence lower bound and its gradients. We demonstrate the performance of this methodology across several examples, including high-dimensional SSMs and sequential Variational Auto-Encoders.

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AAAI Conference 2010 Conference Paper

Community-Guided Learning: Exploiting Mobile Sensor Users to Model Human Behavior

Daniel Peebles
Hong Lu
Nicholas Lane
Tanzeem Choudhury
Andrew Campbell

Modeling human behavior requires vast quantities of accurately labeled training data, but for ubiquitous people-aware applications such data is rarely attainable. Even researchers make mistakes when labeling data, and consistent, reliable labels from low-commitment users are rare. In particular, users may give identical labels to activities with characteristically different signatures (e. g. , labeling eating at home or at a restaurant as “dinner”) or may give different labels to the same context (e. g. , “work” vs. “office”). In this scenario, labels are unreliable but nonetheless contain valuable information for classification. To facilitate learning in such unconstrained labeling scenarios, we propose Community-Guided Learning (CGL), a framework that allows existing classifiers to learn robustly from unreliably-labeled user-submitted data. CGL exploits the underlying structure in the data and the unconstrained labels to intelligently group crowd-sourced data. We demonstrate how to use similarity measures to determine when and how to split and merge contributions from different labeled categories and present experimental results that demonstrate the effectiveness of our framework.

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