activity
20222025
most citedGAUCHE: A Library for Gaussian Processes in Chemistry

34 citations · 42 across the 13 of their papers we have counts for

collaborators

13 papers

cs.LG2025

Transformers as Unrolled Inference in Probabilistic Laplacian Eigenmaps: An Interpretation and Potential Improvements

Aditya Ravuri, Neil D. Lawrence

We propose a probabilistic interpretation of transformers as unrolled inference steps assuming a probabilistic Laplacian Eigenmaps model from the ProbDR framework. Our derivation s…

cs.LG2025

Protein Language Model Zero-Shot Fitness Predictions are Improved by Inference-only Dropout

Aditya Ravuri, Neil D. Lawrence

Protein Language Models (PLMs) such as ESM2 have been shown to be capable of zero-shot prediction of critical scalar properties of proteins (fitness). In this work, we show that in…

cs.LG2024★ 1 cited

Towards scientific discovery with dictionary learning: Extracting biological concepts from microscopy foundation models

Konstantin Donhauser, Kristina Ulicna, Gemma Elyse Moran +4

Sparse dictionary learning (DL) has emerged as a powerful approach to extract semantically meaningful concepts from the internals of large language models (LLMs) trained mainly in…

cs.LG2024

The GeometricKernels Package: Heat and Matérn Kernels for Geometric Learning on Manifolds, Meshes, and Graphs

Peter Mostowsky, Vincent Dutordoir, Iskander Azangulov +6

Kernels are a fundamental technical primitive in machine learning. In recent years, kernel-based methods such as Gaussian processes are becoming increasingly important in applicati…

cs.SD2024

On Feature Learning for Titi Monkey Activity Detection

Aditya Ravuri, Jen Muir, Neil D. Lawrence

This paper, a technical summary of our preceding publication, introduces a robust machine learning framework for the detection of vocal activities of Coppery titi monkeys. Utilizin…

stat.ML2024

Scalable Amortized GPLVMs for Single Cell Transcriptomics Data

Sarah Zhao, Aditya Ravuri, Vidhi Lalchand +1

Dimensionality reduction is crucial for analyzing large-scale single-cell RNA-seq data. Gaussian Process Latent Variable Models (GPLVMs) offer an interpretable dimensionality reduc…

stat.ML2024★ 1 cited

Towards One Model for Classical Dimensionality Reduction: A Probabilistic Perspective on UMAP and t-SNE

Aditya Ravuri, Neil D. Lawrence

This paper shows that dimensionality reduction methods such as UMAP and t-SNE, can be approximately recast as MAP inference methods corresponding to a model introduced in Ravuri et…

cs.SD2023

Uncertainty as a Predictor: Leveraging Self-Supervised Learning for Zero-Shot MOS Prediction

Aditya Ravuri, Erica Cooper, Junichi Yamagishi

Predicting audio quality in voice synthesis and conversion systems is a critical yet challenging task, especially when traditional methods like Mean Opinion Scores (MOS) are cumber…

stat.ML2023★ 1 cited

Dimensionality Reduction as Probabilistic Inference

Aditya Ravuri, Francisco Vargas, Vidhi Lalchand +1

Dimensionality reduction (DR) algorithms compress high-dimensional data into a lower dimensional representation while preserving important features of the data. DR is a critical st…

physics.chem-ph2022★ 34 cited

GAUCHE: A Library for Gaussian Processes in Chemistry

Ryan-Rhys Griffiths, Leo Klarner, Henry B. Moss +24

We introduce GAUCHE, a library for GAUssian processes in CHEmistry. Gaussian processes have long been a cornerstone of probabilistic machine learning, affording particular advantag…

stat.ML2022

Ice Core Dating using Probabilistic Programming

Aditya Ravuri, Tom R. Andersson, Ieva Kazlauskaite +5

Ice cores record crucial information about past climate. However, before ice core data can have scientific value, the chronology must be inferred by estimating the age as a functio…

cs.LG2022★ 3 cited

Modelling Technical and Biological Effects in scRNA-seq data with Scalable GPLVMs

Vidhi Lalchand, Aditya Ravuri, Emma Dann +6

Single-cell RNA-seq datasets are growing in size and complexity, enabling the study of cellular composition changes in various biological/clinical contexts. Scalable dimensionality…

cs.LG2022★ 2 cited

Generalised Gaussian Process Latent Variable Models (GPLVM) with Stochastic Variational Inference

Vidhi Lalchand, Aditya Ravuri, Neil D. Lawrence

Gaussian process latent variable models (GPLVM) are a flexible and non-linear approach to dimensionality reduction, extending classical Gaussian processes to an unsupervised learni…