arXiv subjects

Zhiyuan Liu

Publications and source records attributed to Zhiyuan Liu.

At least 55 records · Page 3Linked to original sources

arXiv2026

LatentChem: From Textual CoT to Latent Thinking in Chemical Reasoning

Current chemical large language models (LLMs) predominantly rely on explicit Chain-of-Thought (CoT) to solve complex reasoning problems. However, forcing nonverbal tacit chemical logic into discrete natural language imposes a fundamental ``modality mismatch,'' creating an artificial bottleneck for reasoning. We introduce LatentChem, a reasoning interface that decouples chemical logic from linguistic generation, enabling the model to process information via continuous thought vectors and dynamic perception. Our investigation reveals a pivotal emergent behavior: spontaneous internalization, defined here as self-selected under outcome-only optimization. When optimized for task success, the model abandons verbose textual derivations in favor of implicit latent computation, suggesting that it identifies the continuous manifold as a more native substrate for chemical logic. This paradigm shift also proves to be a superior computational strategy: LatentChem achieves a 59.88\% non-tie win rate against the strong CoT baseline on the rigorous ChemCoTBench, while delivering a broad 10.84$\times$ average reduction in reasoning step overhead (5.96$\times$ wall-clock speedup) across all evaluated benchmarks. Our results provide empirical evidence that chemical reasoning is more naturally and effectively realized as continuous latent dynamics rather than discretized linguistic trajectories.

physics.chem-ph↗

arXiv2026

DRIFT: Drift and Aggregation for Motion Planning

End-to-end trajectory planners need to represent multiple plausible driving behaviors while producing a single executable trajectory under real-time constraints. Proposal-based approaches address this ambiguity by generating multiple candidates, but converting the proposal set into a final plan remains a key design problem. We present DRIFT, a fixed-depth planner that combines one-step drifting in a compact trajectory latent space with scene-aware proposal aggregation. Conditioned on features from a pretrained visual encoder, the DRIFT Decoder generates 48 proposal features in a single batched pass, with 32 samples at alpha=0.5 and 16 samples at alpha=0.9. A lightweight Aggregation Head integrates these features with scene, navigation, and ego-state information and directly predicts the final trajectory without requiring trajectory-level quality labels for aggregation. Its output is trained with expert-trajectory imitation and a map-derived boundary regularizer that penalizes waypoints outside the drivable polygon and inside waypoints near its boundary. On NAVSIM navtest, DRIFT achieves 89.6 PDMS and 90.4 EPDMS, with strong drivable-area compliance and ego progress among the methods compared. The proposal-generation and aggregation module runs in 10.82 ms on an NVIDIA RTX 4090, while full-model inference including the visual backbone takes 66.43 ms. These results show that one-step latent proposal generation and direct aggregation provide an efficient design for multi-hypothesis motion planning.

cs.RO↗

arXiv2026

ParamMute: Suppressing Knowledge-Critical FFNs for Faithful Retrieval-Augmented Generation

Large language models (LLMs) integrated with retrieval-augmented generation (RAG) have improved factuality by grounding outputs in external evidence. However, they remain susceptible to unfaithful generation, where outputs contradict retrieved context despite its relevance and accuracy. Existing approaches aiming to improve faithfulness primarily focus on enhancing the utilization of external context, but often overlook the persistent influence of internal parametric knowledge during generation. In this work, we investigate the internal mechanisms behind unfaithful generation and identify a subset of mid-to-deep feed-forward networks (FFNs) that are disproportionately activated in such cases. Building on this insight, we propose Parametric Knowledge Muting through FFN Suppression (ParamMute), a framework that improves contextual faithfulness by suppressing the activation of unfaithfulness-associated FFNs and calibrating the model toward retrieved knowledge. To evaluate our approach, we introduce CoFaithfulQA, a benchmark specifically designed to evaluate faithfulness in scenarios where internal knowledge conflicts with accurate external evidence. Experimental results show that ParamMute significantly enhances faithfulness across both CoFaithfulQA and the established ConFiQA benchmark, achieving substantial reductions in reliance on parametric memory. These findings underscore the importance of mitigating internal knowledge dominance and provide a new direction for improving LLM trustworthiness in RAG. All codes are available at https://github.com/OpenBMB/ParamMute.

cs.CL↗

arXiv2026

UltraX: Refining Pre-Training Data at Scale with Adaptive Programmatic Editing

As available training data approaches its physical limit, gains from Scaling Laws have begun to diminish. Consequently, improving Large Language Models (LLMs) now depends less on data expansion and more on higher-quality data utilization. However, in the context of large-scale corpora, existing refinement methodologies face significant limitations in quality, efficiency, and reliability: Rule-based approaches are constrained by fixed heuristics and struggle with instance-level variations; LLM-based approaches improve quality but fail to meet the efficiency and reliability requirements of large-scale data processing. To address these challenges, we propose UltraX, a function-calling refinement framework for large-scale pre-training data that completes the editing function space by introducing insertion in addition to deletion and modification, enabling fine-grained instance-level editing. Specifically, UltraX builds a reliable program-supervision generation pipeline. In this pipeline, dataset-adaptive prompt optimization first guides an expert LLM to produce high-quality end-to-end refined texts, and Line Alignment Mapping and Dynamic Context Replacement then convert original-refined text pairs into structured program supervision. Meanwhile, UltraX improves supervision quality and stabilizes the training distribution with low-confidence example filtering and ratio-controlled sampling by operation combination. During inference and execution, it normalizes and validates model outputs through sliding-window prediction, global operation aggregation, and systematic post-processing, improving the stability and reliability of large-scale execution. Experiments show that UltraX achieves the highest average performance across all corpora and also matches or surpasses baselines with fewer training tokens, demonstrating stronger data efficiency and refinement reliability.

cs.CL↗

arXiv2026

UniSVQ: 2-bit Unified Scalar-Vector Quantization

Post-training quantization at the 2-bit level enables low-cost deployment and inference acceleration for large language models (LLMs). Scalar quantization (SQ) and vector quantization (VQ) are two primary quantization methods, however, the former suffers from significant performance degradation, and the latter incurs computational and storage overhead. We propose UniSVQ, a unified 2-bit quantization framework that bridges scalar and vector quantization by parameterizing codewords as an affine transform of integer lattices. This structure preserves compatibility with optimized integer kernels while retaining much of VQ's flexibility. We further introduce a data-driven block-wise fine-tuning strategy to directly minimize quantization reconstruction error. Extensive experiments across multiple LLM families and zero-shot benchmarks demonstrate that UniSVQ consistently outperforms state-of-the-art SQ methods and achieves performance comparable to advanced VQ methods, while providing higher inference throughput. Codes are publicly available at https://github.com/AI9Stars/UniSVQ.

cs.CL↗

arXiv2026

JD Oxygen AI Item Center (Oxygen AIIC) V1: An Industrial-Scale LLM/VLM-Centric Solution for Item Understanding, Management, and Applications

JD$.$com, one of the world's largest e-commerce platforms, serves over 700 million active users and millions of merchants, with a catalog of tens of billions of SKUs. At this scale, high-quality, structured item knowledge underpins a better consumer experience, lower management costs, and higher operational efficiency-yet producing and serving it poses three industrial-scale challenges: fast-emerging concepts, high-quality knowledge production for massive SKUs, and diverse downstream requirements. To address these challenges, we present the JD Oxygen AI Item Center (Oxygen AIIC), an industrial-scale platform built on LLMs/VLMs for item-knowledge production and service. Oxygen AIIC is built around four core pillars: (i) ontology engineering driven by efficient human-AI collaboration, which supports the dynamic evolution and agile expansion of an ontology with millions of entries; (ii) a "Semantic Search then Discrimination"(S2D) knowledge identification architecture that, combined with throughput improvement strategies, enables scalable, extensible, and high-throughput AI Item Library production for tens of billions of SKUs; (iii) self-evolving item-understanding LLMs/VLMs that improve in a stable and controllable manner, enabling knowledge production with 94.2% precision and 82.8% recall; and (iv) a unified item tunnel that serves as the data and service hub. Oxygen AIIC now covers tens of thousands of JD categories and processes hundreds of millions of item updates per day on Huawei Ascend NPUs. It has accumulated hundreds of billions of item-knowledge assets. Deployed across core business scenarios-including search, recommendation, operations, category planning-Oxygen AIIC has delivered measurable gains at scale. Search-traffic coverage reaches 80.4%, item-information quality issues drop by 37%, the automated fill rate of core attributes during item listing exceeds 80%.

cs.AI↗

arXiv2026

Selenium direct doping obtained high-performance-n-type Bi2Te3-based thermoelectric materials with a wide temperature range

The article reports on a series of n-type Bi2Te3-based thermoelectric materials prepared via a high-temperature melting combined with annealing process. The effects of Se doping content and annealing process on the carrier concentration, suppression of the bipolar effect, and thermoelectric performance of the materials were systematically investigated. The experimental results provide valuable reference for researchers in this field.

cond-mat.mtrl-sci↗

arXiv2026

A Penalty Approach for Differentiation Through Black-Box Quadratic Programming Solvers

Differentiating through the solution of a quadratic program (QP) is a central problem in differentiable optimization. Most existing approaches differentiate through the Karush--Kuhn--Tucker (KKT) system, but their computational cost and numerical robustness can degrade at scale. To address these limitations, we propose dXPP, a penalty-based differentiation framework that decouples QP solving from differentiation. In the solving step (forward pass), dXPP is solver-agnostic and can leverage any black-box QP solver. In the differentiation step (backward pass), we map the solution to a smooth approximate penalty problem and implicitly differentiate through it, requiring only the solution of a much smaller linear system in the primal variables. This approach bypasses the difficulties inherent in explicit KKT differentiation and significantly improves computational efficiency and robustness. We evaluate dXPP on various tasks, including randomly generated QPs, large-scale sparse projection problems, and a real-world multi-period portfolio optimization task. Empirical results demonstrate that dXPP is competitive with KKT-based differentiation methods and achieves substantial speedups on large-scale problems. Our implementation is open source and available at https://github.com/mmmmmmlinghu/dXPP.

cs.LG↗

arXiv2026

Rethinking the Role of Efficient Attention in Hybrid Architectures

Modern language models increasingly adopt hybrid architectures that combine full attention with efficient attention modules, such as sliding-window attention (SWA) and recurrent sequence mixers. However, how these efficient modules shape model capabilities remains poorly understood. To address this gap, we conduct a systematic analysis across hybrid architectures from three perspectives: scaling behavior, mechanism analysis, and architecture design. First, from a scaling perspective, we find that efficient-attention design primarily affects how fast long-context capability emerges, while different hybrids eventually converge to comparable long-context performance under sufficient training. Second, mechanistically, we show that long-range retrieval is mainly carried by full attention, whereas efficient attention shapes its optimization trajectory. This explains a counter-intuitive phenomenon we call Large-Window Laziness: larger SWA windows can delay the formation of retrieval heads in full-attention layers. Third, guided by this mechanism, we show that applying NoPE to only the full-attention layers of a small-window SWA hybrid substantially improves long-context performance with negligible impact on short-context performance.

cs.CL↗

arXiv2026

dLLM-Cache: Accelerating Diffusion Large Language Models with Adaptive Caching

Autoregressive Models (ARMs) have long dominated the landscape of Large Language Models. Recently, a new paradigm has emerged in the form of diffusion-based Large Language Models (dLLMs), which generate text by iteratively denoising masked segments. This approach has shown significant advantages and potential. However, dLLMs suffer from high inference latency. Traditional ARM acceleration techniques, such as Key-Value caching, are incompatible with dLLMs due to their bidirectional attention mechanism. To address this specific challenge, our work begins with a key observation that dLLM inference involves a static prompt and a partially dynamic response, where most tokens remain stable across adjacent denoising steps. Based on this, we propose dLLM-Cache, a training-free adaptive caching framework that combines long-interval prompt caching with partial response updates guided by feature similarity. This design enables efficient reuse of intermediate computations without compromising model performance. Extensive experiments on representative dLLMs, including LLaDA 8B and Dream 7B, show that dLLM-Cache achieves up to 9.1x FLOPs reduction on LongBench-HotpotQA while maintaining competitive output quality. Notably, our method brings dLLM inference latency close to that of ARMs under many settings. The code for this work is publicly available at: https://github.com/maomaocun/dLLM-cache.

cs.LG↗

arXiv2026

VoxCPM2 Technical Report

We present VoxCPM2, a https://info.arxiv.org/help/prep#abstractsfully open-source multilingual and controllable speech generation foundation model that extends the hierarchical diffusion-autoregressive modeling paradigm of VoxCPM. VoxCPM2 advances the framework in three key dimensions: (i) capability, by unifying 30 languages, 9 Chinese dialects, natural-language voice design, style-controllable voice cloning, and high-fidelity continuation cloning within a single backbone; (ii) quality, through an asymmetric AudioVAE that encodes at 16 kHz and reconstructs at 48 kHz, enabling implicit super-resolution with high encoding efficiency; and (iii) scale, by jointly scaling the model to 2B parameters and the training data to over 2 million hours of multilingual speech. To support these diverse capabilities within one model, we introduce a unified sequence organization that expresses all generation modes through different arrangements of the same input building blocks, allowing joint training under a single set of parameters and objective. VoxCPM2 achieves state-of-the-art or competitive performance on public zero-shot and instruction-following TTS benchmarks. On our internal 30-language evaluation set, it attains an average WER of 1.68%. These results demonstrate that hierarchical continuous-latent modeling, without relying on any external discrete speech tokenizer, offers a viable and powerful foundation for large-scale multilingual and controllable speech generation. The model weights, fine-tuning code, and inference tools are publicly released under the Apache 2.0 license to foster community research and development.

cs.SD↗

arXiv2026

GARL: Game-Theoretic Reinforcement Learning for Multi-Agent Strategic Prioritisation

LLM-based multi-agent systems are increasingly used for strategic decision-making tasks. In such settings, performance depends not only on individual model capabilities, but also on the policies by which agents interact and adapt. Multi-agent reinforcement learning can optimise these interaction policies, but its reward design often remains task-specific and weakly grounded in interaction structure. To address this gap, we propose GARL, a GAme-theoretic Reinforcement Learning framework for multi-agent strategic prioritisation. GARL formalises strategic prioritisation as a two-stage game: competing agents first allocate strategic resources over a shared candidate set, and a higher-level arbiter then produces the final ranking. The resulting game-theoretic utilities are converted into role-specific reinforcement signals, allowing policy optimisation to be guided by structured interaction. We instantiate GARL on issues-in-dispute ranking, where the goal is to prioritise core issues in legal proceedings. Experiments show that GARL improves ranking performance, enables small open-source LLMs to become competitive with a strong closed-source LLM under the same candidate-ranking setting, and yields gains in legal-domain competence and broader strategic decision-making. Overall, GARL demonstrates how game-theoretic interaction structure can be turned into reinforcement-learning objectives, providing a principled approach to policy optimisation in multi-agent strategic prioritisation.

cs.CL↗

arXiv2026

APB-V: Accelerating Long-Video Understanding via Sequence-Parallelism-aware Approximate Attention

The efficiency of long-video inference remains a critical bottleneck, mainly due to the dense computation in the prefill stage of Large Multimodal Models (LMMs). Existing methods either compress visual embeddings or apply sparse attention on a single GPU, yielding limited acceleration or degraded performance and restricting LMMs from handling longer, more complex videos. To overcome these issues, we propose APB-V, a sequence-parallel framework with optimized attention that accelerates long-video inference across multiple GPUs. By distributing approximate attention, APB-V reduces computation and increases parallelism, enabling efficient processing of more visual embeddings without compression and thereby improving task performance. System-level optimizations, such as load balancing and fused forward passes, further unleash the potential of APB-V, delivering speedups of 12.72x, 1.70x, and 1.18x over FlashAttn, ZigZagRing, and APB, without notable performance loss. Code available at https://github.com/thunlp/APB

cs.CV↗

arXiv2026

Test-Time Deep Thinking to Explore Implicit Rules

With the continuous advancement of Large Language Models (LLMs), intelligent agents are becoming increasingly vital. However, these agents often fail in environments governed by implicit rules--hidden constraints that cannot be observed directly and must be inferred through interaction. This causes agents to fall into repetitive trial-and-error loops, ultimately leading to task failure. To address this challenge, we propose Test-Time Exploration (TTExplore), a framework where a thinker component analyzes interaction history to infer these implicit rules and guide an actor. Effective exploration in this setting critically depends on the reasoning ability of the thinker. However, evaluating deep reasoning trajectories is inherently unstable and difficult, which poses a major obstacle to effective training. To overcome this issue, we introduce a novel and stable reinforcement learning pipeline. The core idea is to use accurate task-level scores as indirect rewards to bypass the difficulty of evaluating intermediate reasoning, and to retain only a single thinking node per trajectory to alleviate reward sparsity. Using this pipeline, we train a specialized 7B model, Exp-Thinker. Experiments on five text-based embodied tasks show that TTExplore equipped with Exp-Thinker improves baseline agent performance by an average of $14$-$19$ points, demonstrating the effectiveness of explicitly reasoning about implicit rules.

cs.AI↗

arXiv2026

CPMobius: Iterative Coach-Player Reasoning for Data-Free Reinforcement Learning

Large Language Models (LLMs) have demonstrated strong potential in complex reasoning, yet their progress remains fundamentally constrained by reliance on massive high-quality human-curated tasks and labels, either through supervised fine-tuning (SFT) or reinforcement learning (RL) on reasoning-specific data. This dependence renders supervision-heavy training paradigms increasingly unsustainable, with signs of diminishing scalability already evident in practice. To overcome this limitation, we introduce CPMöbius (CPMobius), a collaborative Coach-Player paradigm for data-free reinforcement learning of reasoning models. Unlike traditional adversarial self-play, CPMöbius, inspired by real world human sports collaboration and multi-agent collaboration, treats the Coach and Player as independent but cooperative roles. The Coach proposes instructions targeted at the Player's capability and receives rewards based on changes in the Player's performance, while the Player is rewarded for solving the increasingly instructive tasks generated by the Coach. This cooperative optimization loop is designed to directly enhance the Player's mathematical reasoning ability. Remarkably, CPMöbius achieves substantial improvement without relying on any external training data, outperforming existing unsupervised approaches. For example, on Qwen2.5-Math-7B-Instruct, our method improves accuracy by an overall average of +4.9 and an out-of-distribution average of +5.4, exceeding RENT by +1.5 on overall accuracy and R-zero by +4.2 on OOD accuracy. Our codebase has been released at https://github.com/thunlp/CPMobius.

cs.CL↗

arXiv2026

SciCore-Mol: Augmenting Large Language Models with Pluggable Molecular Cognition Modules

Large Language Models (LLMs) are central to the one-for-all intelligent paradigm, but they face a fundamental challenge when dealing with heterogeneous scientific data such as molecules: the inherent gap between discrete linguistic symbols and topological molecular or continuous reaction data leads to significant information loss and semantic noise in text-based reasoning. We propose SciCore-Mol, a modular framework that bridges this gap through three deeply integrated pluggable cognitive modules: a topology-aware perception module, a latent diffusion-based molecular generation module, and a reaction-aware reasoning module. Each module is coupled to the LLM backbone through learned representation interfaces, enabling richer information exchange than is possible with text-only tool feedback. Our experiments on diverse chemical tasks demonstrate that SciCore-Mol achieves strong comprehensive performance across molecular understanding, generation, reaction prediction, and general chemistry knowledge, with an 8B-parameter open-source system that is competitive with and in several dimensions surpasses proprietary large models. This work provides a systematic blueprint for equipping LLMs with scientific expertise through decoupled, pluggable, and flexibly orchestrated modules, with direct implications for drug design, chemical synthesis, and broader scientific discovery.

cs.AI↗

arXiv2026

DECO: Sparse Mixture-of-Experts with Dense-Comparable Performance on End-Side Devices

While Mixture-of-Experts (MoE) scales model capacity without proportionally increasing computation, its massive total parameter footprint creates significant storage and memory-access bottlenecks, which hinder efficient end-side deployment that simultaneously requires high performance, low computational cost, and small storage overhead. To achieve these properties, we present DECO, a sparse MoE architecture designed to match the performance of dense Transformers under identical total parameter budgets and training tokens. DECO utilizes the differentiable and flexible ReLU-based routing enhanced by learnable expert-wise scaling, which adaptively balances the contributions of routed and shared experts. Furthermore, we introduce NormSiLU, an activation function that normalizes inputs prior to SiLU operators, producing a more stable trend of routed-expert activation ratio and a higher intrinsic sparsity level. We also identify an empirical advantage in using non-gated MLP experts with ReLU-based routing, indicating the possibility of MoE architecture simplification. Experiments demonstrate that DECO, activating only 20% of routed experts, matches dense performance and outperforms established MoE baselines. Our specialized acceleration kernel delivers a 2.93$\times$ speedup on Jetson AGX Orin compared with dense inference. Code and checkpoints are available at https://github.com/thunlp/DECO.

cs.LG↗

arXiv2026

Ligand-Conditioned Discrete Diffusion for Protein Sequence-Structure Co-Design

Proteins perform their biological functions through three-dimensional structures encoded by amino acid sequences, and ligand-binding protein co-design requires models that generate sequence-structure compatible proteins under explicit ligand constraints. Although continuous diffusion and flow-based models support ligand-aware design in coordinate or latent spaces, existing discrete diffusion protein language models mainly operate over sequence or structure tokens without direct small-molecule conditioning. We introduce \textbf{ProtLiD$^2$}, a \textbf{Prot}ein \textbf{L}igand-conditioned \textbf{D}iscrete \textbf{D}iffusion model for protein sequence-structure co-design. ProtLiD$^2$ jointly generates amino-acid sequence and discrete structure tokens while incorporating ligand chemical and geometric information through geometry-aware cross-attention. Trained on over one million ligand-protein complexes, ProtLiD$^2$ extends masked discrete diffusion to ligand-aware functional protein design. We further propose maximum confidence-margin guided ReMask decoding, an inference-time self-correction strategy that retains confident predictions and remasks uncertain tokens. ProtLiD$^2$ improves global fold confidence over Complexa in whole-protein design, increasing TM-score from 0.672 to 0.802 and pLDDT from 64.55 to 73.00. In pocket co-design, ProtLiD$^2$ reduces active-site BB-RMSD from 3.46/3.40Å for FAIR/PocketGen to 1.97Å, and improves ligand-aware pass rates over PocketGen from 14.86% to 59.73% and from 6.08% to 23.49% under stricter docking thresholds. These results support ligand-conditioned discrete diffusion as an effective token-space framework for functional protein co-design. Code will be available at https://github.com/auroua/ProtLiD.

q-bio.BM↗