#01Nov 5, 2026
stat.ML
Unifying Central Flow, Rod Flow, and the Edge Coupling
Eric Regis, Sinho Chewi
At the edge of stability, the iterates of gradient descent oscillate along the sharp directions of the Hessian. This poses a significant challenge for continuous-time models as the usual continuous-time approximation -- the gradient flow -- admits no oscillations. Several continuous-time models have been proposed to capture the behavior at the edge of stability, among them central flow and rod flow. Although both models can be interpreted as performing a coarse-graining in time, the connection between them remains poorly understood. Here we show that both flows can be derived from a third object, the edge coupling: a functional on consecutive iterates whose critical points are the fixed points and period-two orbits of gradient descent. It is revealed that the two flows correspond to coarse-grainings at different time scales. Rod flow coarse-grains over only the fastest time scale, while central flow coarse-grains over both the fast and intermediate time scales. Furthermore, using the edge coupling, we derive rod flows and central flows for momentum methods such as heavy ball and Adam. We verify the derived flows experimentally on representative neural network architectures, where they track the discrete iterates throughout all phases of training -- including the transition from the stable regime to the edge of stability.
#02Nov 5, 2026
cs.CL
Measured Coupling for Parallel Decoding in Diffusion Language Models
Tal Oved, Lior Wolf
Diffusion language models can write many tokens per step, but must choose which tokens are safe to commit together. Mean-field decoding penalizes pairs of positions whose predictions look alike. We replace this proxy with the coupling itself: how much committing one token changes the model's confidence at another. Cheap probes inside the main forward pass measure it, with no training or extra model, and it plugs into the same mean-field rule. On three models and four benchmarks, our method needs far fewer steps than mean-field decoding and is faster in most settings, also with a key-value cache, at an average accuracy cost of 1.1 points. Shuffling the couplings or replacing them with a uniform bonus loses this gain.
#03Nov 5, 2026
cs.RO
SHORE: Stability-Hybrid On-Policy Reinforcement Learning for Online Bin Packing
Chang Shi, Ann Majewicz Fey
Online 3D bin packing with a processing buffer requires choosing which box to pack, its orientation, and its placement while keeping the stack stable under unknown future arrivals. A collapse ends the episode and forfeits the remaining volume. Existing methods use geometric rules or hard stability masks, limiting how risk can influence the joint choice of box, orientation, and placement. We propose Stability-Hybrid On-Policy Reinforcement Learning (SHORE), which combines a learned stability probability of a placement with an on-policy estimate of its return conditional on stability. A 3D U-Net learns stability from executed outcomes and simulated alternatives, revealing outcomes of actions underrepresented in early rollouts. A discrete on-policy actor--critic uses stability predictions in both its action values and policy prior, with gates that limit the effect of an untrained or changing model. In deployment, SHORE does not require additional search or simulation overhead. In Isaac Gym, SHORE reaches 73\% space utilization by 0.4M environment steps, while the same learner without stability modeling reaches that level at about 1M. On the expanded 60-box set, SHORE achieves 0.734 space utilization versus 0.588 for the GOPT state-of-the-art baseline, with a higher placement-failure frequency (1.03\% vs. 0.63\%), trading more risk for greater packed volume. The results show faster learning and higher utilization on the more demanding realistic box arrival set. Ablations suggest that simulated alternatives provide useful early supervision, while executed outcomes alone sustain later performance. We also demonstrate the method on a real robot to verify the simplicity of integrating the method to real bin packing pipelines.
#04Nov 5, 2026
cs.LG
On the limitations of molecular representations
Acer Blake, Fergus Imrie, Charlotte M. Deane
Molecular representations such as fingerprints and learned embeddings play a central role in cheminformatics and small-molecule machine learning. They serve as the primary input for a diverse array of tasks, including clustering, dataset splitting, and virtual screening, yet their evaluation is often limited to downstream model performance on narrow benchmark tasks. We carried out a systematic investigation of the quality of molecular representations, finding that none of the state-of-the-art molecular embedding models capture graph structure, 3D shape, or ADMET endpoint similarity better than fingerprints or physicochemical descriptors. However, classical fingerprints also revealed their own material limitations. For example, we show that depending on the representation, between 225M and $\sim$4B molecules have non-unique representations in the 10.8B Enamine REAL database, with implications for virtual screening. Our findings provide an insight into the current limitations of molecular representations, outlining future research directions for the development of more robust encodings of small molecules.
#05Nov 5, 2026
cs.AI
Scientist World: Grow a Research World for AI-Scientists
Taiming Lu, Sachin Konan, Zhuang Liu
AI-Scientists arrived, but a world for them to grow in did not. Human scientists take theirs for granted $-$ centuries of open problems and shared ideas, waiting in the scientific literature. To AI-Scientists, that world is readable but not runnable, so we build Scientist World for them: every research paper becomes an executable environment. Our autonomous pipeline extracts each paper's open-ended research question and reproduces its proposed method as the baseline; an AI-Scientist entering the environment is evaluated against what the human authors achieved. We release the first 1,000 verified environments. With the world as an evaluation, we found that frontier AI-Scientists can already surpass the human researchers 74% of the time. As a record of how AI does science, it contains 6,400 hours of research traces, with every idea, experiment, failure, and success. As a training ground, we are able to raise (+158%) a small model to match frontier models in research ideation. At last, AI-Scientists' own world has arrived, grown from and growing with science itself.