
Research Assistant @imperialcollege. @GoogleDeepMind Scholar. MSc in AI for Science 🧪 @AIMSacza. Prev intern @instadeepai
Joined February 2024
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NFMs combine few step sampling with tractable likelihoods and we are particularly excited about their application to RL post-training 🤖 and Boltzmann Generators 🧪. Come check it out if you're in Sydney for the STODY workshop!🔥
🚨 New Paper Alert, 🎤 Accepted for an oral presentation at the NeurIPS 2026 STODY workshop!
📣 Introducing: Normalizing Flow Maps (NFM): Combining few-step transport from Flow maps with tractable likelihoods from Normalizing Flows.
This is my first work with my first crop of new PhD students, @francescoshox and @tim_hitge, who genuinely knocked this project out of the park.
📄 Paper: arxiv.org/abs/2610.22711
📝 Blog: the-bose-lab.github.io/norma…
💻 Code: github.com/francescoshox/Nor…
🧵
1/8
Timothy Hitge 🇿🇦 retweeted
Very happy to share the first paper of my PhD: Normalizing Flow Maps! (NFM)⚡️
We make likelihood evaluation in flow maps fast and tractable by replacing the DiT backbone with a normalizing flow🔄.
A big thanks to @tim_hitge, @mmbronstein, @bose_joey and the rest of the team!
🚨 New Paper Alert, 🎤 Accepted for an oral presentation at the NeurIPS 2026 STODY workshop!
📣 Introducing: Normalizing Flow Maps (NFM): Combining few-step transport from Flow maps with tractable likelihoods from Normalizing Flows.
This is my first work with my first crop of new PhD students, @francescoshox and @tim_hitge, who genuinely knocked this project out of the park.
📄 Paper: arxiv.org/abs/2610.22711
📝 Blog: the-bose-lab.github.io/norma…
💻 Code: github.com/francescoshox/Nor…
🧵
1/8
This would also have not been possible without a stacked team consisting of @pengzhangzhi, @danyalrehman17,@zwblasingame,@nmboffi,@mmbronstein,@AlexanderTong7
I'd like to thank my cracked co-lead @francescoshox and PI @bose_joey for their massive efforts to make NFM come to fruition.
Timothy Hitge 🇿🇦 retweeted
Strong Stochastic Flow Maps has been accepted to #NeurIPS2026 as an Oral! 🎉
1/5 New paper 🎉Strong Stochastic Flow Maps!
We learn the stochastic integral, not just the transition kernel of an SDE
Huge shout out to my fellow first author Sam McCallum and the rest of the amazing team: Timothy Herschell, @Niklas_TR, @AlexanderTong7, and @JamesFosterBath
Timothy Hitge 🇿🇦 retweeted
🚨As part of the growing OXtal family for ML on Molecular Crystals
We are releasing OXtalign 🔮, a fast, open-source Python package for comparing crystal packings. Developed by the juggernaut of a researcher, ChengHao Liu (last author of OXtal)!
It computes RMSD_n, the standard packing-similarity metric from CCDC's COMPACK. OXtalign delivers similar accuracy to COMPACK but SIGNIFICANTLY FASTER!!!!
Features
- Speed: ⚡️ Up to 200x faster and fully deterministic
- License 🟢: Comes with a permissive Apache 2.0 license.
- Data formats 📂: Reads experimental CIFs, predicted clusters without a unit cell, PDB/XYZ files, and ASE or pymatgen objects.
Have fun, crystal people 🚀
Code: github.com/OXtal/oxtalign
Timothy Hitge 🇿🇦 retweeted
We’re sharing a solution to the Navier-Stokes Millennium Prize Problem, one of the deepest problems at the frontier of mathematics.
The proof was produced by a group of agents, using an OpenAI next-generation model significantly more capable than GPT-6 Astra.
The problem concerns whether the description of smooth three-dimensional fluid motion modeled by the Navier-Stokes equations can break down. It has remained unresolved for roughly 90 years.
Timothy Hitge 🇿🇦 retweeted
I'm attending #ICML2026, presenting a couple papers:
1. "Autoregressive Boltzmann Generators" (Spotlight)
arxiv.org/abs/2606.27361
and
2. Few-Step CoFolding with All-Atom Flow Maps---i.e., the DeCAF paper ☕️ (Spotlight) at the GenBio workshop.
arxiv.org/pdf/2606.08375
Happy to meet old friends and make new ones! DMs open :)
Timothy Hitge 🇿🇦 retweeted
Protein–ligand cofolding models are getting incredibly powerful… but do they have to be so slow? 🧬🐢💊
Our new preprint introduces a new flow-map framework called DeCAF for fast few-step cofolding — up to 5× faster while preserving sample quality on the SOTA Pearl model and 20x faster than Boltz 1x. ⚡🧵
📜 Blog: genesis.ml/news/genesis-mode…
🔗arXiv: arxiv.org/abs/2606.08375
Code (coming soon): github.com/genesistherapeuti…
Timothy Hitge 🇿🇦 retweeted
New paper 🎉: Coupling Models for One-Step Discrete Generation
What is the right route to one-step discrete generation?
Recently, the default answer has been: make discrete data continuous, learn a flow map, and then decode back to discrete samples.
This is a natural route, but it is not the only one.
We propose a different perspective: instead of forcing discrete generation through a continuous flow map, we learn a coupling between discrete sequences and Gaussian noise. Then we train a one-step generator that directly predicts the sequence from the noise using cross-entropy.
At inference time, generation is simple:
sample Gaussian noise → decode once → obtain a discrete sample.
No autoregressive loop.
No iterative denoising trajectory.
No learning continuous flow model.
The key idea is that, for one-step discrete generation, the data–noise coupling should not be treated as a fixed background choice. It is the central object to learn.
Empirically, Coupling Models improve strong one-step baselines across text generation, biological sequence generation, and binary image generation.
Paper: arxiv.org/pdf/2605.07193
Code: github.com/pengzhangzhi/Coup…
Work done with @bose_joey @Anru_Zhang @AlexanderTong7
Timothy Hitge 🇿🇦 retweeted
Our book on Generative AI and Stochastic Thermodynamics can be pre-ordered with a 20% discount until July 31 2027. (All proceeds from the authors will be donated to the African Institute for Mathematical Sciences).
Timothy Hitge 🇿🇦 retweeted
A really excellent book.
A few people independently told me this was one of their favorite books over a decade ago. I bought it, and it became one of the textbooks on my shelf I revisit from time to time to spark the joy of holding ideas to a different light.
It brings to life the elegance of information theory.
A good day to recognize 10 years from the passing of David McKay.
Timothy Hitge 🇿🇦 retweeted
🚨 New paper alert!!!
Introducing DISCO!! A new Diffusion model that does CO-design of Enzymes with Joint Diffusion of Structure and Sequence.
This is a pretty big deal, because we also have wet-lab results to back it up!
Huge shoutout to the whole team, but especially @jarridrb and @ChengHaoLiu1 who are the real stars!
What if AI could invent enzymes that nature hasn’t seen? 👩🔬🧑🔬
Introducing 🪩 DISCO: Diffusion for Sequence-structure CO-design
14 rounds of directed evolution and over a year of wet lab work. That's what it took to engineer an enzyme for selective C(sp³)–H insertion, one of the most challenging transformations in organic chemistry.
DISCO surpasses this with a single plate. No pre-specified catalytic residues, no template, no theozyme, no inverse folding, just joint diffusion over protein sequence and structure.
📝 Blog: disco-design.github.io/
📄 Paper: arxiv.org/abs/2604.05181
💻 Code: github.com/DISCO-design/DISC…
Timothy Hitge 🇿🇦 retweeted
I like diffusion models
Mercury 2 is live 🚀🚀
The world’s first reasoning diffusion LLM, delivering 5x faster performance than leading speed-optimized LLMs.
Watching the team turn years of research into a real product never gets old, and I’m incredibly proud of what we’ve built.
We’re just getting started on what diffusion can do for language.
Timothy Hitge 🇿🇦 retweeted
Discrete diffusion — but fast? ⚡️ Test-time inference — but for discrete data? 🧠
Categorical Flow Maps: continuous transport toward the simplex, turning discrete generation into a single-step problem. Built on Variational FM (CatFlow), we obtain (self-)distillation from scratch.
Language, molecules, and test-time steering — one framework.
Scaling to LLMs and foundation models next. Watch this space 👀
You like discrete diffusion, but it's too slow? 🥀
You like test-time inference, but it's for continuous methods? 😩
We fixed it.
Introducing Categorical Flow Maps: continuously sample discrete data in a single step 🚀💫
How? 🧵⬇️
💪 Co-led with @FEijkelboom, @daan_roos_
Timothy Hitge 🇿🇦 retweeted
Ever since I was a young boy I have had a dream of efficiently sampling from the posterior distribution
Timothy Hitge 🇿🇦 retweeted
Tired to go back to the original papers again and again? Our monograph: a systematic and fundamental recipe you can rely on!
📘 We’re excited to release 《The Principles of Diffusion Models》— with @DrYangSong, @gimdong58085414, @mittu1204, and @StefanoErmon.
It traces the core ideas that shaped diffusion modeling and explains how today’s models work, why they work, and where they’re heading.
🧵You’ll find the link and a few highlights in the thread.
We’d love to hear your thoughts and join some discussions!
⚡ Stay tuned for our markdown version, where you can drop your comments!
Timothy Hitge 🇿🇦 retweeted
Awesome conference! Congratulations to the organizers.
Deep bow for the founders who have put AI in Africa on the map.
We gathered in Kigali 🌍 for the 2025 Deep Learning Indaba. Nearly 3,000 applied, 1,294 joined in person, 400 virtually. 6 days of AI research, debate, teaching & learning. From 300 in 2017 → to a pan-African Baobab tree. 🌳 #DLI2025 @DeepIndaba



























