#01Nov 5, 2026
cs.AI
ReproBridge: Building Reproducibility into ML Research Artifacts
Yubo Wang, Rui Meng, Jaehyun Nam and 2 more
Reproducing machine learning experiments requires reconstructing procedures from information scattered across papers, released code, and supporting artifacts. For coding agents, reproduction success can therefore depend on their ability to fill in missing details, rather than on the released artifacts alone. We ask whether preserving recovered procedures and decisions improves subsequent independent reproduction. We define a standardized artifact design comprising a refined codebase, environment setup, experiment launchers, and a reproduction guide, and introduce ReproBridge, an agent workflow for constructing these refined reproducible artifacts. ReproBridge-Bench provides 1,029 tasks from 387 experiments across 36 papers, anchored by five human-verified reference scores per task. Agents attempt tasks in fresh sessions with raw code or refined artifacts; a separate Auditor checks execution evidence. Across four evaluated models, refined artifacts raise mean reproduction success from 76.4% to 92.6% and reduce downstream API spending by 19.7% on average. The cross-model success-rate spread narrows from 21.6 to 3.9 percentage points, with all four models achieving mean success rates above 90%. Removing any component reduces success in the ablation study, with the largest losses from code and environment removal. These results suggest that preserving execution knowledge helps even models with lower raw-code success reproduce experiments more reliably and at lower API cost.
#02Nov 5, 2026
cs.LG
XStack: A Benchmark for ML Repo Migration
Linrong Cai, Taiming Lu, Haozhe Chen and 1 more
ML code should run where researchers choose, not where it was first written. Today, machine learning code mainly lives in two ecosystems, PyTorch on NVIDIA GPUs and JAX on Google TPUs. Migrating repositories between them means building and testing across frameworks and hardware. This migration is (1) a practical need, since it unlocks different hardware for researchers, and (2) a natural benchmark: it involves different frameworks and hardware, covers whole repositories, and is long-horizon and challenging. We introduce XStack, a benchmark that evaluates agents on migrating ML repositories between these two ecosystems. Each agent receives a PyTorch repository and a clean TPU machine and must deliver a JAX repository. Its output passes if it meets our grading criteria, based on the source repository's published result, authenticated and calibrated by us. Migration by agents remains unreliable: Claude Opus 5 passes 75%, GPT-5.6-sol 45%, and every other agent at most 40%. XStack is a step toward freeing ML code from its ecosystem. We release XStack to make progress toward reliable migration across frameworks and hardware measurable.
#03Nov 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.
#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.RO
T3R: Training-Free Two-Stage Token Refinement Towards Efficient and Robust VLA Models
Mohammed Hassan, Zhenyang Chen, Zheng Wang and 5 more
Vision-Language-Action (VLA) models enable end-to-end robot control, but inference is increasingly expensive. Each decision processes hundreds of visual tokens, often across multiple cameras, leading to substantial computation while allowing irrelevant background content to distract action prediction under distribution shift. We argue that these issues stem from two complementary forms of redundancy: many visual tokens are spatially irrelevant, while attention over the remaining tokens is often misallocated. Based on this observation, we propose T3R, a Training-Free Two-Stage Token Refinement framework. In the first stage, segmentation-guided token pruning removes irrelevant visual patches to reduce computation and eliminate distracting context. In the second stage, saliency-guided attention biasing reallocates attention toward action-critical visual regions and language instructions within the retained tokens. Together, pruning produces a cleaner candidate set, while attention biasing further emphasizes the most decision-relevant evidence, yielding a better accuracy-efficiency frontier than either stage alone. On LIBERO-Spatial, T3R removes 85% of scene-camera visual tokens while essentially matching the unpruned success rate, and improves success by up to 7 percentage points under out-of-distribution object-placement perturbations. The timing comparison attributes 7.8 ms per inference call to pruning and attention-bias application. As input resolution increases, LLM-forward profiling shows up to a 3.3x speedup over the unpruned baseline. Evaluations across LIBERO, SIMPLER, and RoboTwin with three VLA backbones show the strongest accuracy-efficiency benefits in multi-camera settings. These results demonstrate that training-free token refinement is a practical approach to efficient and robust VLA inference.