Günter Klambauer
Deep Learning researcher | professor for Artificial Intelligence in Life Sciences | inventor of self-normalizing neural networks | ELLIS program Director
- Reposted by Günter KlambauerMit #OpenClaw organisieren Nutzende ihr Leben. Der KI-Bot braucht dafür allerdings umfassenden Zugriff auf persönliche Daten. Und was hat es mit #Moltbook auf sich, wo sich diese Bots angeblich miteinander unterhalten? @gklambauer.bsky.social, Professor für KI an der JKU Linz, ordnet den Hype ein.
- ### NEW ENTRY IN THE AI IN DRUG DISCOVERY LEADERBOARD ### CheMeleon takes the lead as the **best pre-trained model** and gets the Bronze medal (rank 3) overall. It's an MPNN pre-trained to predict chemical descriptors. P: arxiv.org/abs/2506.15792 C: github.com/JacksonBurns...
- # AI in Drug discovery just BROKE THROUGH a wall # A newer AI model, ConGLUDe, as fast but much more accurate than DrugCLIP. Instead on just 40K structure-based data, ConGLUDe is trained on 100M datapoints from ligand-based data P: arxiv.org/abs/2601.09693
- A NEW ENTRY TO THE TOX21 LEADERBOARD: GROVER from TENCENT AI LAB obtains rank 5 on the Tox21 leaderboard. Best pre-trained model and clearly outperforms CHEMPROP. Original implementation: github.com/tencent-aila... Tox21 leaderboard on Hugging Face: huggingface.co/spaces/ml-jk...
- Reposted by Günter KlambauerxLSTM for Real-Time DNS Tunnel Detection: arxiv.org/abs/2512.09565 DNS-HyXNet = xLSTM for DNS tunnels. DNS-HyXNet has 99.99% accuracy, with F1-scores exceeding 99.96%, and per-sample detection latency of just 0.041 ms, confirming its scalability and real-time readiness. wow!
- Reposted by Günter KlambauerSepp Hochreiter, Head of LIT AI Lab, comments on the EurIPS conference in this FAZ guest article: He highlights Europe’s growing visibility in AI research and the role of ELLIS in strengthening the community. 🌍 www.faz.net/pro/digitalw...
- The Great Comeback of Self-Normalizing Networks in 2025: It’s been a wild year in AI and for SNNs + SELU!! See my overview and some trends here: bioinf-jku.github.io/SNNs/
- Normalization-Free Transformers rediscover controlled signal propagation — a core idea behind SNNs. P: arxiv.org/abs/2503.10622
- Tiny SELU MLPs (2–3 layers, width 64) became the standard in Conditional Flow Matching, thanks to smoother derivative behavior than ReLU. P: arxiv.org/abs/2302.00482
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View full threadDrug discovery benchmarks reveal a surprising result: the original 2017 SELU networks still dominate toxicity prediction (Tox21). P: arxiv.org/abs/2511.14744
- Reposted by Günter KlambauerGreat news for AI research at JKU! Upper Austria invests €22.5M to strengthen AI & quantum science, supporting the ELLIS Unit Linz and the LIT AI Lab. This commitment boosts new projects, talent, collaborations & innovation made in Austria 🇦🇹 www.nachrichten.at/politik/land...
- Thanks for more than 1000 visits to the leaderboard in the last 2 days! YOU THINK YOU HAVE A BETTER MODEL?? GREAT! Training models on the Tox21 Challenge dataset can be done on a laptop-GPU. Submit your model to the leaderboard! Click SUBMIT here: huggingface.co/spaces/ml-jk...
- Measuring AI Progress in Drug Discovery - A NEW LEADERBOARD IN TOWN 2015-2025: turns out that there's hardly any improvement. AI bubble? GPT is at 70% for this task, whereas the best methods get close to 85%. Leaderboard: huggingface.co/spaces/ml-jk... P: arxiv.org/abs/2511.14744
- AI is hitting a wall in drug discovery! Here is the wall you were all looking for... huggingface.co/spaces/ml-jk...
- Measuring AI Progress in Drug Discovery - A NEW LEADERBOARD IN TOWN 2015-2025: turns out that there's hardly any improvement. AI bubble? GPT is at 70% for this task, whereas the best methods get close to 85%. Leaderboard: huggingface.co/spaces/ml-jk... P: arxiv.org/abs/2511.14744
- You have access to the model predictions via API call. Just type: curl -X POST ml-jku-tox21-gin-classifier.hf.space/predict -H "Content-Type: application/json" -d '{"smiles": ["CCO", "c1ccccc1"]}' in your shell.
- List of accepted contributions now online: moleculediscovery.github.io/workshop2025/
- Roughly 50% of the tickets already gone...
- ELLIS ML4Molecules Workshop 2025: Registration for virtual participation now open!!! Only 500 tickets available which usually are gone fast!! Register now: www.eventbrite.com/e/ellis-mach...
- ELLIS ML4Molecules Workshop 2025: Registration for virtual participation now open!!! Only 500 tickets available which usually are gone fast!! Register now: www.eventbrite.com/e/ellis-mach...
- How many errors do you find in the chemical structure above?
- Reposted by Günter Klambauer[Not loaded yet]
- Speaker 4 at ELLIS ML4Molecules 2025: Nadine Schneider Early works on ML methods for chemical reactions. Introduced the FS-Mol datasets for few-shot learning for molecules. Director of the ELLIS ML for Molecules Discovery program. Join the workshop: moleculediscovery.github.io/workshop2025/
- Invited speaker 3 at #ML4Molecules2025: Daniel Probst ( @skepteis.bsky.social ). He is known for his works on exploring chemical spaces, fingerprints, language models,... and some unconventional ideas like learning on gzip compressed data. Join: moleculediscovery.github.io/workshop2025/
- @marwinsegler.bsky.social will talk about "Deep Learning for Molecules: The First Decade" at #ML4Molecules2025 In pioneering work, he introduced a "small LLM" for generating SMILES strings back in 2016/17. Chemical synthesis prediction with MCTS; ... Join: moleculediscovery.github.io/workshop2025/
- Reposted by Günter Klambauer(I/III) We're excited to announce a new tenure track opening! The position is called 'quantum informatics' and is affiliated with our QUICK group within the CS+AI division at @jku.at 🇦🇹. Application deadline is November 30th, 2025: www.jku.at/en/the-jku/w...
- Celebrating 4,000 citations! Thanks to everyone who successfully used self-normalizing networks!!!
- Deadline extended to October 15th!
- PAPER/ABSTRACT DEADLINE ALREADY END OF THIS WEEK! ELLIS Machine Learning for Molecules workshop: moleculediscovery.github.io/workshop2025/ DON'T MISS THE DEADLINE: short papers or extended abstracts welcome!
- PAPER/ABSTRACT DEADLINE ALREADY END OF THIS WEEK! ELLIS Machine Learning for Molecules workshop: moleculediscovery.github.io/workshop2025/ DON'T MISS THE DEADLINE: short papers or extended abstracts welcome!
- ELLIS ML4Molecules workshop 2025 ** Call for papers** is out: moleculediscovery.github.io/workshop2025/
- Is Bluesky the actual dead Internet??
- It's happening again!!! ML4Molecules workshop 2025. within the #ELLIS Unconference, preceding #EurIPS. More infos: moleculediscovery.github.io/workshop2025/
- Happy that IBM uses proper MLPs, i.e. self-normalizing networks, in their Flowstate model! ;) P: arxiv.org/abs/2508.05287
- Another win for xLSTM
- xLSTM shines as an Electrocardiogram (ECG) foundation model: arxiv.org/abs/2509.10151 "xECG achieves superior performance over earlier approaches, defining a new baseline for future ECG foundation models." xLSTM is perfectly suited for time series prediction as shown by TiRex.
- It just struck me that the ancient Greeks chose their twelve Olympian gods with gender parity..
- We Austrians are fully aware that we are a democratic country now, but we still sneak in pictures of our monarchs... :)
- Controversial posts are downranked on Blue sky???? Oh c'mon...
- Devastating blow for GNNs/MPNNs for chemistry and small molecules: All of them are not statistically better than simple ECFP . Only our CLAMP model does the job ;) P: arxiv.org/abs/2508.06199
- Machine Learning-Driven Optimization of Specific, Compact, and Efficient Base Editors via Single-Round Diversification New base editors designed and optimized with ML! Almost all ML-designed ones active in the lab tests!! P: www.biorxiv.org/content/10.1...
- Devastating blow for GNNs/MPNNs for chemistry and small molecules: All of them are not statistically better than simple ECFP . Only our CLAMP model does the job ;) P: arxiv.org/abs/2508.06199
- Just in: GPT-5 achieves AGI in chemical sciences!!1!!1! Actually, NO! .... struggles with generating 2D graphs from SMILES.
- Great idea for a dataset and task! Thanks for using and assessing out Prot-xLSTM
- Reposted by Günter KlambauerWe are soooo proud. Our European-developed TiRex is leading the field—significantly ahead of U.S. competitors like Amazon, Datadog, Salesforce, and Google, as well as Chinese models from companies such as Alibaba.
- Ever though you could get a 35 million parameter time series state-of-the art foundation model that you can run on embedded hardware? Thanks to @hochreitersepp.bsky.social and his team at NXAI, you can. Amazing work! Paper: arxiv.org/abs/2505.23719 Code: github.com/NX-AI/tirex
- Reposted by Günter KlambauerEver though you could get a 35 million parameter time series state-of-the art foundation model that you can run on embedded hardware? Thanks to @hochreitersepp.bsky.social and his team at NXAI, you can. Amazing work! Paper: arxiv.org/abs/2505.23719 Code: github.com/NX-AI/tirex
- Recommended read for the weekend: Sepp Hochreiter's book on AI! Lots of fun anecdotes and easily accessible basics on AI! www.beneventopublishing.com/ecowing/prod...
- Reposted by Günter Klambauer[Not loaded yet]
- Latent Space Modeling of Spatial Dynamical Systems via Linked Entities LATENT DIFFUSION and GRAPH NEURAL NETWORKS finally combined!! Best model for molecular dynamics of small molecules!!! Paper: arxiv.org/abs/2502.121... Blog: ml-jku.github.io/LaM-SLidE/
