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新论文 · v1arXiv:2611.17287

面向单边可验证奖励的仅负样本策略优化

Negative-Only Policy Optimization for One-Sided Verifiable Rewards

Jiacheng Xu, Shuo He, Fuxiang Zhang, Chaojie Wang, Bo An

AI 速读 基于摘要

针对只能可靠证伪、无法可靠验证正确的单边可验证奖励场景，提出仅利用可信负样本更新策略的 NOPO 方法。

cs.LG · cs.CL

arXiv ↗PDF ↗
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Reinforcement learning with verifiable rewards (RLVR) typically relies on a verifier that can reliably judge whether sampled solutions are correct. However, in many realistic settings, complete verification is generally unavailable, while cheap checks can only falsify failures. We formalize this regime as one-sided verifiability (OSV): verified negatives are reliable counterexamples, but verified positives are merely non-falsified candidates and may contain many false positives. This asymmetry makes standard RLVR unreliable, because reinforcing verified positives can directly reward shortcuts that pass partial checks. To address this issue, we propose Negative-Only Policy Optimization (NOPO), which treats verified positives as unlabeled and updates the policy only by suppressing trusted verified negatives. Specifically, NOPO combines a reference-relative negative suppression loss with a group-level adapter that scales each update by the proportion of non-falsified responses. Across unit-test, constraint-check, and LLM self-verifiers, NOPO improves pass@k over baselines on code, logic, and math benchmarks when oracle rewards are unavailable. These gains persist under inference-time scaling and cross-benchmark transfer.

版本更新 · v5arXiv:2505.23086

Equivariant Spherical Transformer for Efficient Molecular Modeling

Junyi An, Xinyu Lu, Yunfei Shi, Peijia Lin, Licheng Xu, Qianwei Tang, Chao Qu, Fenglei Cao 等 9 位作者

原文摘要

Equivariant Graph Neural Networks (GNNs) have significantly advanced the modeling of 3D molecular structure by leveraging group representations. However, message passing built only from exactly equivariant operations can have restricted practical expressiveness at a fixed representation degree. We introduce the Equivariant Spherical Transformer (EST), a plug-and-play module that applies Transformer attention to spherical spatial representations obtained from group representations. EST explicitly mixes information across sampled orientations, unlike prior orientation-wise spherical operations, while retaining a strong approximate equivariant inductive bias through near-uniform spherical sampling. As demonstrated by our experiments on challenging benchmarks like OC20, MPtrj and QM9, EST-based models achieve state-of-the-art performance. For the complex molecular systems within OC20, small models empowered by EST can outperform some larger models and those using additional data. We characterize the ideal closed-domain condition under which the continuous operation is exactly equivariant and empirically quantify the finite-sampling accuracy--equivariance--memory trade-off used in practice.

cs.LG · cs.AI

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arXiv ↗PDF ↗
新论文 · v1arXiv:2611.09548

CoMoFlow: Controllable Protein Conformational Ensemble Generation via Explicit Collective-Mode Modeling

Yusong Wang, Zheyuan Gu, Ailiang Lin, Minghao Shao, Yicheng Xu, Jiang Cai, Prayag Tiwari, Mingkun Xu

原文摘要

Protein conformational ensemble generation aims to efficiently characterize the structural variations accessible to a protein beyond a single static structure. Recent flow-based methods efficiently generate conformational ensembles, but they model coordinated structural variation implicitly, which can limit ensemble fidelity and hinder direct control. To address this limitation, we propose CoMoFlow, a controllable framework for generating protein backbone conformational ensembles by explicitly modeling collective variation. CoMoFlow constructs protein-specific collective modes from the equilibrium structure, learns the distribution of their coefficients across the molecular dynamics (MD) ensemble, and uses sampled collective variations to guide SE(3) flow matching through feature conditioning and prior recentering. Experiments on ATLAS and de novo proteins show that CoMoFlow improves reconstruction of MD conformational distributions and coordinated structural variation relative to strong flow-based baselines, while enabling direct control over targeted conformational changes.

cs.AI · cs.LG

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arXiv ↗PDF ↗
新论文 · v1arXiv:2610.38095

Nemotron 3.5 Super and Lightning: Open, Efficient Mixture-of-Experts Hybrid Mamba-Transformer Models for Agentic AI

NVIDIA, :, Aastha Jhunjhunwala, Aayushi Ashokkumar Srivastava, Abhibha Gupta, Abhinav Garg, Abhinav Khattar, Achsah Wildish 等 559 位作者

原文摘要

We introduce Nemotron 3.5 Super and Nemotron 3.5 Lightning, open and efficient Mixture-of-Experts Hybrid Mamba-Transformer models designed for reasoning, long-context understanding, and agentic workloads. Super is a 120B-parameter, 12B-active multimodal model, while Lightning is a smaller 30B-parameter, 3B-active text model; both designed for efficient deployment. Both models combine large-scale distillation, long-context training, and native speculative decoding, while Super further incorporates Indic continued pretraining and agentic software-engineering mid-training. We develop a comprehensive post-training pipeline spanning supervised fine-tuning and reinforcement learning (RLVR and RLHF), complemented in Super by specialized teacher training and multi- teacher on-policy distillation (MOPD). This transforms Super from a text-only base model into a multimodal agent capable of reasoning over text, images, video, and interactive tool environments. We further explore test-time scaling through parallel agent execution and self-verification. Across training and deployment, we jointly optimize capability and efficiency. Indic continued pretraining improves Indian-language benchmarks by up to 9.82 percentage points, while agentic mid-training strengthens software-engineering capabilities and robustness across agent harnesses. The post-trained Super model achieves 51.78% on SWE-bench Pro, surpassing Nemotron 3 Ultra despite using approximately 4.6x fewer active parameters. Post-training MTP boosting improves speculative- decoding acceptance length by up to 21.8% under probabilistic draft sampling, while NVFP4 quantization achieves 99.62% median accuracy recovery relative to BF16. Inference optimizations enable up to 4,856 output tokens/s/GPU on GB200 while sustaining at least 50 tokens/s/user.

cs.CL · cs.AI · cs.LG

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arXiv ↗PDF ↗