#01Nov 5, 2026
cs.LG
Module-Aware Optimization for Graph Neural Networks
Guy Hadad, Haggai Roitman, Moshe Eliasof and 1 more
Different optimizers impose different geometries on parameter updates. Adaptive methods such as Adam and AdamW use coordinate-wise updates, while matrix-aware optimizers such as Muon utilize weight-matrix structure through orthogonalized updates. For Graph Neural Networks (GNNs), however, the effective geometry of its weight matrices is shaped not only by its learned channel-mixing weights, but also by the graph-propagated representations it acts on. Thus, even if an update is well normalized as a matrix, its effect on the layer output can be amplified when applied to graph-propagated features. To address this gap, we introduce GraphMuon, a graph-aware optimizer that adapts Muon's matrix updates to the covariance structure of graph-propagated layer inputs. GraphMuon performs orthogonalization in a metric defined by these propagated representations and normalizes step sizes according to the update's induced effect on the layer representation. We show that theoretically, vanilla Muon can suffer from graph-induced update amplification, while our GraphMuon can mitigate this effect. As such, our GraphMuon yields a graph-metric analogue of Muon's polar update step. Empirically, GraphMuon achieves $1.32\times$-$2.42\times$ validation-loss time-to-target speedups over AdamW on three large-scale OGB benchmarks. Across 15 dataset-architecture configurations spanning node classification, inductive graph classification, and graph regression, it achieves lower time-to-target in 13 cases, while maintaining competitive or superior predictive performance. Code is available at https://github.com/guy-hadad/GraphMuon.
#02Nov 5, 2026
cs.CV
4D Point Splatting for mmWave Radar Micro-Doppler Differentiable Rendering
Adnan Armouti, Guanyue Qian, Rajalakshmi Nandakumar
Millimeter-wave radar resolves the micrometer displacements of a moving body as micro-Doppler, enabling gait, gesture, activity, pose and vital-sign sensing. Each task relies on a downstream model trained on real data, yet radar datasets lag orders of magnitude behind vision and language. Brute-force collection will not close that gap, and existing synthesis methods (forward-only simulators, learned generators and static-scene inverse renderers) cannot fit a real capture of a moving body, leaving a sim2real gap. We present 4D Point Splatting (4DPS), a physics-based differentiable renderer that fits an explicit moving scene to a real capture. Using the synchronized camera to initialize the room and body, we represent the scene as oriented points carrying material, normal and velocity, and splat each point into range and Doppler bins. Our output is the raw complex return a real radar records, so we apply the same signal processing on the rendered data to obtain any representation for training any SOTA downstream model. We fit 235 sequences on HuPR and 100 on RT-Pose, two datasets with different radars. Our reconstructions set the state of the art, with median correlations of 0.940 and 0.830 on range-azimuth, 0.829 and 0.695 on range-Doppler, and 0.988 and 0.966 on micro-Doppler. Our renders also set the state of the art in downstream sim2real gap. On RT-Pose, a pose model trained on them reaches 21.9 cm MPJPE on real data, against 16.7 cm for real training and 127.6 cm for the RF-Genesis baseline, where both the rendered- and real-trained models learn nearly the same features. Our custom CUDA kernels fit a sequence in 5.7 minutes on HuPR and 12.9 on RT-Pose on one H100, making dataset-scale inverse rendering of mmWave radar possible for the first time. This work can enable synthetic data generation for any human-centered downstream task and model, and scene editing for data augmentation.
#03Nov 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.
#04Nov 5, 2026
cs.LG
User Embeddings are Superpositions of Interpretable Behavioral Modes
Jonathan Kozaczuk, Zheng Dong, Noyan Evirgen and 7 more
User embeddings are central components of modern recommendation, personalization, and behavioral modeling systems. Though these embeddings can compactly encode rich behavioral information, they are inherently dense and opaque, limiting interpretability. To address this gap, we argue that user embeddings can be understood as sparse superpositions of interpretable behavioral modes. This structure is directly predicted by generative models of user behavior for linear embeddings and extends approximately to deep-learning representations by the superposition hypothesis. Superimposed modes can naturally be recovered by sparse dictionary learning methods, such as sparse autoencoders (SAEs), and recovered modes can be automatically named and queried in natural language. We validate mode recovery against known ground truth on synthetic data, where SAEs recover modes better than classical sparse baselines, including on transformer-encoded embeddings. We then apply the method to classical and transformer-based user embeddings from two real-world datasets. We also show how the corresponding natural-language labels enable zero-shot audience retrieval and characterization over embeddings never trained on text. The framework is post-hoc and model-agnostic, requiring no modification to the upstream embedding system.
#05Nov 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.