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QCircuitBench: A Large-Scale Dataset for Benchmarking Quantum Algorithm Design

Neural Information Processing Systems

Quantum computing is an emerging field recognized for the significant speedup it offers over classical computing through quantum algorithms. However, designing and implementing quantum algorithms pose challenges due to the complex nature of quantum mechanics and the necessity for precise control over quantum states. Despite the significant advancements in AI, there has been a lack of datasets specifically tailored for this purpose. In this work, we introduce QCircuitBench, the first benchmark dataset designed to evaluate AI's capability in designing and implementing quantum algorithms in the form of quantum circuit codes. Unlike using AI for writing traditional codes, this task is fundamentally more complicated due to highly flexible design space. Our key contributions include: 1. A general framework which formulates the key features of quantum algorithm design task for Large Language Models.2. Implementation for quantum algorithms from basic primitives to advanced applications, spanning 3 task suites, 25 algorithms, and 120,290 data points.3.


Towards Thinking-Optimal Scaling of Test-Time Compute for LLM Reasoning

Neural Information Processing Systems

Recent studies have shown that making a model spend more time thinking through longer Chain of Thoughts (CoTs) enables it to gain significant improvements in complex reasoning tasks. While current researches continue to explore the benefits of increasing test-time compute by extending the CoT lengths of Large Language Models (LLMs), we are concerned about a potential issue hidden behind the current pursuit of test-time scaling: Would excessively scaling the CoT length actually bring adverse effects to a model's reasoning performance? Our explorations on mathematical reasoning tasks reveal an unexpected finding that scaling with longer CoTs can indeed impair the reasoning performance of LLMs in certain domains. Moreover, we discover that there exists an optimal scaled length distribution that differs across different domains. Based on these insights, we propose a Thinking-Optimal Scaling strategy. Our method first uses a small set of seed data with varying response length distributions to teach the model to adopt different reasoning efforts for deep thinking. Then, the model selects its shortest correct response under different reasoning efforts on additional problems for self-improvement. Our self-improved models built upon Qwen2.5-32B-Instruct


Quartet: Native FP4 Training Can Be Optimal for Large Language Models

Neural Information Processing Systems

Training large language models (LLMs) models directly in low-precision offers a way to address computational costs by improving both throughput and energy efficiency.


SemCoT: Accelerating Chain-of-Thought Reasoning through Semantically-Aligned Implicit Tokens

Neural Information Processing Systems

Chain-of-Thought (CoT) enhances the performance of Large Language Models (LLMs) on reasoning tasks by encouraging step-by-step solutions. However, the verbosity of CoT reasoning hinders its mass deployment in efficiency-critical applications. Recently, implicit CoT approaches have emerged, which encode reasoning steps within LLM's hidden embeddings (termed ``implicit reasoning'') rather than explicit tokens. This approach accelerates CoT reasoning by reducing the reasoning length and bypassing some LLM components. However, existing implicit CoT methods face two significant challenges: (1) they fail to preserve the semantic alignment between the implicit reasoning (when transformed to natural language) and the ground-truth reasoning, resulting in a significant CoT performance degradation, and (2) they focus on reducing the length of the implicit reasoning; however, they neglect the considerable time cost for an LLM to generate one individual implicit reasoning token.


NSNQuant: A Double Normalization Approach for Calibration-Free Low-Bit Vector Quantization of KV Cache

Neural Information Processing Systems

Large Language Model (LLM) inference is typically memory-intensive, especially when processing large batch sizes and long sequences, due to the large size of key-value (KV) cache. Vector Quantization (VQ) is recently adopted to alleviate this issue, but we find that the existing approach is susceptible to distribution shift due to its reliance on calibration datasets. To address this limitation, we introduce $\textbf{NSNQuant}$, a calibration-free Vector Quantization (VQ) technique designed for low-bit compression of the KV cache. By applying a three-step transformation--$\textbf{1)}$ a token-wise normalization ($\textbf{N}$ormalize), $\textbf{2)}$ a channel-wise centering ($\textbf{S}$hift), and $\textbf{3)}$ a second token-wise normalization ($\textbf{N}$ormalize)--with Hadamard transform, NSNQuant effectively aligns the token distribution with the standard normal distribution. This alignment enables robust, calibration-free vector quantization using a single reusable codebook. Extensive experiments show that NSNQuant consistently outperforms prior methods in both 1-bit and 2-bit settings, offering strong generalization and up to 3$\times$ throughput gains over full-precision baselines.


Reinforcement Learning for Out-of-Distribution Reasoning in LLMs: An Empirical Study on Diagnosis-Related Group Coding

Neural Information Processing Systems

Diagnosis-Related Group (DRG) codes are essential for hospital reimbursement and operations but require labor-intensive assignment. Large Language Models (LLMs) struggle with DRG coding due to the out-of-distribution (OOD) nature of the task: pretraining corpora rarely contain private clinical or billing data. We introduce DRG-Sapphire, which uses large-scale reinforcement learning (RL) for automated DRG coding from clinical notes. Built on Qwen2.5-7B and trained with Group Relative Policy Optimization (GRPO) using rule-based rewards, DRG-Sapphire introduces a series of RL enhancements to address domain-specific challenges not seen in previous mathematical tasks. Our model achieves state-of-the-art accuracy on the MIMIC-IV benchmark and generates physician-validated reasoning for DRG assignments, significantly enhancing explainability.


Gradient Multi-Normalization for Efficient LLM Training

Neural Information Processing Systems

Training large language models (LLMs) commonly relies on adaptive optimizers such as Adam (Kingma & Ba 2015), which accelerate convergence through moment estimates but incur substantial memory overhead. Recent stateless approaches such as SWAN (Ma et al., 2024) have shown that appropriate preprocessing of instantaneous gradient matrices can match the performance of adaptive methods without storing optimizer states. Building on this insight, we introduce \emph{gradient multi-normalization}, a principled framework for designing stateless optimizers that normalize gradients with respect to multiple norms simultaneously. Whereas standard first-order methods can be viewed as gradient normalization under a single norm (Bernstein & Newhouse, 2024), our formulation generalizes this perspective to a multi-norm setting. We derive an efficient alternating scheme that enforces these normalization constraints and show that our procedure can produce, up to an arbitrary precision, a fixed-point of the problem. This unifies and extends prior stateless optimizers, showing that SWAN arises as a specific instance with particular norm choices. Leveraging this principle, we develop SinkGD, a lightweight matrix optimizer that retains the memory footprint of SGD while substantially reducing computation relative to whitening-based methods. On the memory-efficient LLaMA training benchmark (Zhao et al., 2024), SinkGD achieves state-of-the-art performance, reaching the same evaluation perplexity as Adam using only 40\% of the training tokens.


PolyMath: Evaluating Mathematical Reasoning in Multilingual Contexts

Neural Information Processing Systems

Our benchmark ensures difficulty comprehensiveness, language diversity, and high-quality translation, making it a highly discriminative multilingual mathematical benchmark in the era of reasoning LLMs.We conduct a comprehensive evaluation for advanced LLMs and find that even Qwen-3-235B-A22B-Thinking and Gemini-2.5-pro,


A 3 E: Towards Compositional Model Editing

Neural Information Processing Systems

Model editing has become a *de-facto* practice to address hallucinations and outdated knowledge of large language models (LLMs). However, existing methods are predominantly evaluated in isolation, i.e., one edit at a time, failing to consider a critical scenario of compositional model editing, where multiple edits must be integrated and jointly utilized to answer real-world multifaceted questions. For instance, in medical domains, if one edit informs LLMs that COVID-19 causes fever and another that it causes loss of taste, a qualified compositional editor should enable LLMs to answer the question What are the symptoms of COVID-19?


Whose Instructions Count? Resolving Preference Bias in Instruction Fine-Tuning

Neural Information Processing Systems

Instruction fine-tuning (IFT) has emerged as a ubiquitous strategy for specializing large language models (LLMs), yet it implicitly assumes a single, coherent ground-truth preference behind all human-written instructions. In practice, annotators differ in the styles, emphases, and granularities they prefer, introducing preference bias that can erode both robustness and generalization. We propose Dynamic Cross-Layer Preference Correction (\textsc{DCPC}), it couples (i) a preference-sensitive similarity estimator that detects mismatched instructional cues, (ii) cross-layer prefix alignment to reconcile semantic representations across transformer layers, and (iii) a lightweight Preference Correction Module (PCM) that dynamically adjusts hidden states to honor the inferred dominant preference. On five Super/GLUE tasks and the Alpaca set--plus six preference-shifted variants--DCPC boosts accuracy/F1-EM by 4.0-6.7 points and gpt-score by +0.7, while cutting inter-seed variance up to 35% on LlaMA-2 13B and Mistral-7B, setting a new state of the art for robust instruction tuning.