#01Nov 5, 2026
cs.AI
StepBack: Step-Level Error-Localized Resampling for Efficient Test-Time Reasoning
Yang Ouyang, Jung-Eun Kim
Self-consistency (SC) is a widely used decoding strategy for improving chain-of-thought reasoning, but it requires sampling many complete reasoning trajectories with a preset budget. Its efficient variants reduce the cost mainly by stopping full-trajectory sampling early or distributing the number of samples across questions. In this paper, we propose StepBack, a step-level error-localized resampling method for efficient test-time reasoning. Given a small set of draft trajectories, StepBack localizes likely first error positions using lightweight signals and then resamples the detected error step and its suffix, followed by majority answer voting. Empirically, StepBack matches the accuracy of SC on average across seven mathematical reasoning and multi-hop QA benchmarks, while reducing token usage by up to 41.26%. In addition, by nature, StepBack can be combined with adaptive inference methods such as Adaptive Consistency, further improving their inference-time efficiency.
#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
Benchmarking Large Language Models on Heterogeneous Cognitive and Biomedical Knowledge Graphs: The Role of Graph Grounding in Multi-Hop Reasoning and Hallucination Mitigation
Ali Sarabadani, Kheirolah Rahsepar Fard, Tahereh Jeirani
Large language models (LLMs) are increasingly used in biomedical and cognitive neuroscience, but their ability to reason reliably over heterogeneous knowledge graphs (KGs) remains unclear. We benchmark five LLMs (GPT-5.1, Gemini 2.0 Pro, Llama 3, Qwen, and BioGPT) across five KGs: DrugBank, NeuroSynth, Cognitive Atlas, Brain Map, and GDPKG. We introduce a multitier query dataset to evaluate reasoning depth and factual accuracy under KG-aware (graph-grounded) and KG-agnostic conditions. Inter-annotator agreement was substantial, with Cohen's kappa of 0.781 (range: 0.753-0.807) and Fleiss' kappa of 0.77. Results show that general-purpose models, particularly GPT-5.1 and Gemini 2.0 Pro, generally outperform domain-specific models on multi-hop and high-level reasoning tasks, although performance declines as query complexity increases. KG grounding reduces hallucination rates across all evaluated models. Contrary to our initial hypothesis, domain-specific models do not consistently outperform general-purpose models on specialized tasks without graph grounding. These findings highlight the value of combining broad language-model capabilities with structured domain knowledge. We provide practical guidance for selecting LLM-KG integration strategies based on task complexity and computational constraints, and discuss hybrid neurosymbolic architectures for personalized medicine, cognitive disorder diagnosis, and explainable AI.
#04Nov 5, 2026
cs.LG
Muir: Linear Attention with Sensitivity-Allocated Gating and Matched-Filter Readout
Tushaar Gangavarapu, Gil Tabak, Clemens JS Schaefer
Linear attention compresses context into a fixed-size key-value state for linear-time training and constant-memory inference. Gated delta-rule models decay this state and erase its prediction for an incoming key before writing a new value; Gated DeltaNet-2 (GDN-2) generalizes this with channel-wise decay and decoupled, full-rank erase and write gates. However, we show that state updates are far less sensitive to erasure than to writes: key activation and unit normalization concentrate key energy onto a sparse subset of channels, whereas value writes scale all channels, so the erase gate can be parameterized at lower rank. Furthermore, slow-decaying state rows accumulate much larger norms than fast rows, dominating unweighted readout and forcing stronger write-time erasure to suppress interference. Guided by this analysis, we introduce Muir, which fuses all gates into a sensitivity-allocated low-rank projection, re-weights state rows with a matched-filter readout gate, and reinvests the saved parameters in a wider feed-forward network. Because standard chunkwise algorithms become numerically unstable at the large chunk sizes needed to saturate wide matrix units, we design a parallel update for stable, efficient training. Across 166M-1.34B parameters, Muir lowers perplexity by 1.8-2.0% over GDN-2 and 2.5-3.6% over Transformer, raises commonsense accuracy by up to 1.9 points, and improves extractive recall over GDN-2. At 1.34B, Muir outperforms both baselines on multi-hop and multi-needle recall, extrapolates 2,560x from its 4K training length to 10M-token streams without perplexity drift, and maintains near-100% passkey retrieval to 1M tokens with static readout. Muir achieves these gains while matching GDN-2 throughput, reaching its 100B-token validation loss 1.2x faster, and training 2.7x faster than Transformer at 32K.
#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.