
Professor @ University of Stuttgart, Scientific Advisor @ NEC Labs, GraphML, geometric deep learning, ML for Science. Formerly @IUBloomington and @uwcse
Heidelberg, Germany
Joined September 2013
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Mathias Niepert retweeted
Students sometimes ask me if it still makes sense, in this accelerating age, to pursue a PhD in AI.
Perhaps counterintuitively, I think it's a great time to do so.
I wrote up some thoughts on this here: web.mit.edu/phillipi/www/wri…
Mathias Niepert retweeted
What happens if you interpret attention scores as probabilities? We can then use sampling techniques in KV cache eviction. Check out our new paper!
“A Probabilistic Interpretation of KV Cache Eviction”
Most KV eviction methods use top-k heuristics to decide what to keep, but this can heavily distort attention after tokens are removed.
This paper reframes KV eviction as expectation estimation, then uses probabilistic sampling and importance weighting to correct for missing KV entries during decoding.
This gives a principled bias-variance tradeoff that stays competitive with existing methods while being more robust.
alphaxiv.org/abs/2608.28293
Mathias Niepert retweeted
✨ I'm excited to share that our paper, 𝗙𝗢𝗖𝗔: 𝗙𝘂𝘁𝘂𝗿𝗲-𝗢𝗿𝗶𝗲𝗻𝘁𝗲𝗱 𝗖𝗼𝗻𝗱𝗶𝘁𝗶𝗼𝗻𝗶𝗻𝗴 𝗳𝗼𝗿 𝗗𝗮𝘁𝗮-𝗘𝗳𝗳𝗶𝗰𝗶𝗲𝗻𝘁 𝗩𝗶𝘀𝗶𝗼𝗻-𝗟𝗮𝗻𝗴𝘂𝗮𝗴𝗲-𝗔𝗰𝘁𝗶𝗼𝗻 𝗔𝗱𝗮𝗽𝘁𝗮𝘁𝗶𝗼𝗻, has been accepted to @ICML 2026 in 🇰🇷 next week. We have also released the code and will share the paper and repository links below.
One of the biggest bottlenecks for scaling Vision-Language-Action (VLA) models is not model size - it is 𝗱𝗮𝘁𝗮 𝗲𝗳𝗳𝗶𝗰𝗶𝗲𝗻𝗰𝘆.
Unlike language or vision models, VLA models rely on data collected through real robot execution. E𝘃𝗲𝗻 𝗮 𝗳𝗲𝘄 𝗵𝘂𝗻𝗱𝗿𝗲𝗱 𝗱𝗲𝗺𝗼𝗻𝘀𝘁𝗿𝗮𝘁𝗶𝗼𝗻𝘀 𝗰𝗮𝗻 𝘁𝗮𝗸𝗲 𝘄𝗲𝗲𝗸𝘀 𝘁𝗼 𝗰𝗼𝗹𝗹𝗲𝗰𝘁, 𝗮𝗻𝗱 𝗻𝗲𝘄 𝘁𝗮𝘀𝗸𝘀 𝗼𝗿 𝗲𝗻𝘃𝗶𝗿𝗼𝗻𝗺𝗲𝗻𝘁𝘀 𝗼𝗳𝘁𝗲𝗻 𝗿𝗲𝗾𝘂𝗶𝗿𝗲 𝘀𝘁𝗮𝗿𝘁𝗶𝗻𝗴 𝗼𝘃𝗲𝗿. This makes data efficiency a central challenge for real-world Physical AI.
This motivated a simple question:
🤔 𝗖𝗮𝗻 𝗮 𝗿𝗼𝗯𝗼𝘁 𝗮𝗰𝗵𝗶𝗲𝘃𝗲 𝗰𝗼𝗺𝗽𝗮𝗿𝗮𝗯𝗹𝗲 𝗽𝗲𝗿𝗳𝗼𝗿𝗺𝗮𝗻𝗰𝗲 𝘂𝘀𝗶𝗻𝗴 𝗼𝗻𝗹𝘆 𝗮 𝗳𝗿𝗮𝗰𝘁𝗶𝗼𝗻 𝗼𝗳 𝘁𝗼𝗱𝗮𝘆'𝘀 𝗱𝗲𝗺𝗼𝗻𝘀𝘁𝗿𝗮𝘁𝗶𝗼𝗻 𝗱𝗮𝘁𝗮?
One of our solutions is FOCA with three key components:
• 𝗙𝘂𝘁𝘂𝗿𝗲 𝗹𝗮𝘁𝗲𝗻𝘁 𝗽𝗿𝗲𝗱𝗶𝗰𝘁𝗶𝗼𝗻: learning latent representations of future actions to provide future-aware supervision during adaptation.
• 𝗔𝗰𝘁𝗶𝗼𝗻-𝗳𝗿𝗲𝗲 𝘄𝗼𝗿𝗹𝗱 𝗺𝗼𝗱𝗲𝗹 𝘀𝘂𝗽𝗲𝗿𝘃𝗶𝘀𝗶𝗼𝗻: exploiting imagined future observations as additional supervision, reducing reliance on expensive action-labeled robot demonstrations.
• 𝗘𝗳𝗳𝗶𝗰𝗶𝗲𝗻𝘁 𝗳𝘂𝘁𝘂𝗿𝗲 𝗰𝗼𝗻𝗱𝗶𝘁𝗶𝗼𝗻𝗶𝗻𝗴: injecting a compact set of representative future tokens rather than all generated tokens into the VLA policy for scalable and effective future reasoning.
We evaluated FOCA on LIBERO, RoboCasa, and 𝘮𝘶𝘭𝘵𝘪𝘱𝘭𝘦 𝘳𝘦𝘢𝘭 𝘳𝘰𝘣𝘰𝘵𝘪𝘤 𝘱𝘭𝘢𝘵𝘧𝘰𝘳𝘮𝘴, 𝘪𝘯𝘤𝘭𝘶𝘥𝘪𝘯𝘨 𝘴𝘪𝘯𝘨𝘭𝘦-𝘢𝘳𝘮, 𝘥𝘶𝘢𝘭-𝘢𝘳𝘮, 𝘢𝘯𝘥 𝘩𝘶𝘮𝘢𝘯𝘰𝘪𝘥 𝘳𝘰𝘣𝘰𝘵𝘴. Across diverse manipulation tasks, FOCA consistently improved adaptation under limited demonstrations.
⚡ In several challenging settings with only 𝗮𝗿𝗼𝘂𝗻𝗱 𝟭𝟬𝟬 𝗱𝗲𝗺𝗼𝗻𝘀𝘁𝗿𝗮𝘁𝗶𝗼𝗻𝘀, 𝘀𝘂𝗰𝗰𝗲𝘀𝘀 𝗿𝗮𝘁𝗲𝘀 𝗶𝗺𝗽𝗿𝗼𝘃𝗲𝗱 𝗳𝗿𝗼𝗺 𝗮𝗽𝗽𝗿𝗼𝘅𝗶𝗺𝗮𝘁𝗲𝗹𝘆 𝟱𝟴% 𝘁𝗼 𝟴𝟰%. Compared with 𝘮𝘰𝘳𝘦 𝘵𝘩𝘢𝘯 𝘵𝘦𝘯 𝘳𝘦𝘤𝘦𝘯𝘵 𝘝𝘓𝘈 𝘮𝘦𝘵𝘩𝘰𝘥𝘴, including DreamVLA, ThinkAct, E0, and other recent baselines, FOCA achieved competitive or state-of-the-art performance, with particularly large gains in low-data regimes.
Many thanks to all students and collaborators @an_thai_le @Mniepert
🔗 Project page: focavla.github.io/
🐙 GitHub: lnkd.in/ezWQ5WJK
#PhysicalAI, #ICML2026, #VisionLanguageAction #VideoWorldModel
Mathias Niepert retweeted
I'll be at #ICML2026 in Seoul next week presenting three works with some great collaborators. Quick rundown in this thread. Come say hi if you're around, always happy to chat!
Mathias Niepert retweeted
My NeurIPS 2025 paper looked into the numerical errors present in synthetic data used for neural surrogates... and uncovered a counter-intuitive finding. Since the paper can be hard to digest, here is a lightweight introduction: youtu.be/dy9vMyHlcLA
Mathias Niepert retweeted
In case you missed it — we're hiring an Assistant Prof in Machine Learning (AI4Science) at @AmlabUva
🇪🇺 One of Europe's top ML groups, based in Amsterdam.
Deadline: May 30 — still time to apply! 👇
Excited to share that we're looking for a new colleague at @AMLab_UvA : Assistant Professor in AI for Science 🔬🤖
AMLab is a world-class ML research group embedded in Amsterdam's thriving AI ecosystem: leading research groups, an ELLIS unit, startups, and big tech — all within reach.
And Dutch academic labor conditions are genuinely among the best in Europe ❤️
Deadline: May 30 👉 werkenbij.uva.nl/en/vacancie…
Mathias Niepert retweeted
I was starting to wonder if I was getting rusty, it's been a while since I received one of these. Thanks for the recognition, @icmlconf! 🫡
Mathias Niepert retweeted
📢 We are hiring PhD students in the Data-Driven Materials Design group at @Leibniz_INM / @Saar_Uni / @DFKI in Saarbrücken, Germany.
Apply here:
leibniz-inm.softgarden.io/jo…
#machinelearning #ai4science #compchem
Mathias Niepert retweeted
Check out neural-os.com it’s really cool.
Glad to see followups to neural-os.com, but disappointed that neither the blog (with 34 refs) nor the code repo acknowledged NeuralOS, even tho the released data code appears to build directly on top of ours. That omission is hard to understand given our shared vision.
Mathias Niepert retweeted
This work is now out in JCTC: pubs.acs.org/doi/abs/10.1021…
Mathias Niepert retweeted
Remember our ICML25 "Graph Learning Will Lose Relevance Due To Poor Benchmarks"?
Fear no more! GraphBench is here! 🤩
We give you: The next generation of Graph Benchmarking! Including:
-New shiny high-quality datasets from diverse domains spanning seven domains, including chip design, algorithmic reasoning, and weather forecasting.
-Standardized hyperparameter tuning procedures, enabling fair and principled model comparison
- Strong, transparent baselines that accurately reflect algorithmic progress
- Comprehensive coverage of graph learning tasks, datasets, and modern GNN architectures
- Reproducibility-focused design, minimizing variance and evaluation artifacts
- Forward-looking benchmark designed for next-generation graph learning research
A huge collab with: @chrsmrrs, @mmbronstein, @michael_galkin, @HolgerHoo, Timo Stoll, @ChendiQian, @benfinkelshtein, Ali Parvis, Darius Weber, @ffabffrasca, @HadarShavit, @antoinesrdin, Arman Mielke, Marie Anastacio, Erik Müller,
Mathias Niepert retweeted
GraphBench: Next-generation graph learning benchmarking is now available! 🔍📊
This work introduces GraphBench: a comprehensive benchmarking framework for graph learning that provides principled baselines and reference performance across modern models.
graphbench.io
Mathias Niepert retweeted
Sovereignty should not be Europe’s growth strategy.
If your sales pitch is “buy us because we’re European,” you’re already losing.
Europe needs companies like BlackForestLabs:
global ambition from day one, built in Europe.
Not: “We build AI for European SMBs so they know we keep their data save.”
The path forward is competing with US companies in their home market from day one.
Lovable, BlackForestLabs, n8n and others have shown how its done!
Mathias Niepert retweeted
5 months from Latent-X1 to Latent-X2. AI-generated antibodies with drug-like developability and low immunogenicity in human panels — zero-shot.
Available now for selected partners.
Mathias Niepert retweeted
I respect that @iclr_conf had to respond to the OR leak, but I disagree with resetting scores. Many students worked hard on rebuttals and improved their papers in good faith. I hope the organizers reconsider and revert the reset. If you agree, feel free to retweet.
Mathias Niepert retweeted
✨ 𝐓𝐡𝐫𝐢𝐥𝐥𝐞𝐝 𝐭𝐨 𝐬𝐡𝐚𝐫𝐞 𝐭𝐡𝐚𝐭 𝐨𝐮𝐫 𝐩𝐚𝐩𝐞𝐫 𝐄𝐱𝐆𝐫𝐚-𝐌𝐞𝐝 [1] 𝐡𝐚𝐬 𝐛𝐞𝐞𝐧 𝐚𝐜𝐜𝐞𝐩𝐭𝐞𝐝 𝐭𝐨 NeurIPS 2025! (one of three other ones accepted this year 🚀 ) ✨
Over the past year, my collaborators and I have been exploring a fundamental limitation of 𝐦𝐮𝐥𝐭𝐢-𝐦𝐨𝐝𝐚𝐥 𝐥𝐚𝐫𝐠𝐞 𝐥𝐚𝐧𝐠𝐮𝐚𝐠𝐞 𝐦𝐨𝐝𝐞𝐥𝐬 (MLLMs) on 𝐝𝐚𝐭𝐚-𝐡𝐮𝐧𝐠𝐫𝐲 tasks and how to overcome it. So how does it help with your work?
🔍 𝐈. 𝐊𝐞𝐲 𝐅𝐢𝐧𝐝𝐢𝐧𝐠: 𝐀𝐮𝐭𝐨-𝐫𝐞𝐠𝐫𝐞𝐬𝐬𝐢𝐯𝐞 𝐌𝐋𝐋𝐌𝐬 𝐀𝐫𝐞 𝐄𝐱𝐭𝐫𝐞𝐦𝐞𝐥𝐲 𝐃𝐚𝐭𝐚-𝐇𝐮𝐧𝐠𝐫𝐲 𝐔𝐧𝐝𝐞𝐫 𝐃𝐨𝐦𝐚𝐢𝐧 𝐒𝐡𝐢𝐟𝐭
We found that 𝐫𝐞𝐝𝐮𝐜𝐢𝐧𝐠 𝐩𝐫𝐞-𝐭𝐫𝐚𝐢𝐧𝐢𝐧𝐠 𝐝𝐚𝐭𝐚 during domain adaptation 𝐭𝐫𝐢𝐠𝐠𝐞𝐫𝐬 𝐢𝐫𝐫𝐞𝐜𝐨𝐯𝐞𝐫𝐚𝐛𝐥𝐞 𝐟𝐚𝐢𝐥𝐮𝐫𝐞𝐬 𝐢𝐧 𝐚𝐮𝐭𝐨-𝐫𝐞𝐠𝐫𝐞𝐬𝐬𝐢𝐯𝐞 𝐌𝐋𝐋𝐌𝐬 - failures that 𝐟𝐢𝐧𝐞-𝐭𝐮𝐧𝐢𝐧𝐠 𝐜𝐚𝐧𝐧𝐨𝐭 𝐟𝐢𝐱. This reveals a critical weakness: current models learnt by purely auto-regressive models are not robust to domain shift.
Joint work with great collaborators @cmuptx @james_y_zou , and my supervisor @Mniepert. Details below
Mathias Niepert retweeted
Inspired by JEPA, C-FREE (w/ B. Ariguib & @mniepert) uses a predictive objective over egonets spanning 2D and 3D graphs, avoiding negatives, reconstructions, and augmentations. This simple multimodal design delivers strong results from low- to large-scale regimes. 🔬 🧵6/9
Mathias Niepert retweeted
"Learning (Approximately) Equivariant Networks via Constrained Optimization" will be an Oral 🗣️ at NeurIPS! (w/ @Mniepert & @lfochamon) ACE goes beyond fixed equivariance, augmentations, and regularizers by learning from data when to enforce symmetry and when to break it. 🧵2/9
Mathias Niepert retweeted
Looking forward to #NeurIPS next week! I’m presenting three works across equivariant learning, molecular graph pretraining, and real-world graph-based time series:
• ACE (NeurIPS Oral)
• C-FREE (NPGML Poster)
• ChronoGraph (BERT2S Oral)
Details in the thread ⬇️🧵1/9
Mathias Niepert retweeted
As promised after our great discussion, @chaitanyakjoshi! Your inspiring post led to our formal rejoinder: the Platonic Transformer.
What if the "Equivariance vs. Scale" debate is a false premise? Our paper shows you can have both.
📄 Preprint: arxiv.org/abs/2510.03511
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