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Biqing Qi

Publications and source records attributed to Biqing Qi.

At least 19 recordsLinked to original sources
arXiv2026

Autonomous Chemical Mechanistic Discovery through Agentic Reasoning and Validation

Unraveling reaction mechanisms is central to modern chemistry, yet automating these investigations remains challenging because computational workflows still rely heavily on expert intervention. Here we introduce ARCHE, an autonomous agentic system that integrates a general-purpose reasoning model, a domain-specialized computational chemistry model, and a structured tool registry to transform mechanistic inquiry into a scalable, self-validating process. ARCHE interprets scientific questions, generates and prioritizes mechanistic hypotheses, orchestrates computational workflows, and iteratively refines conclusions based on computed evidence within a closed loop. We validate its capabilities across three increasingly demanding scenarios: reconstructing stereocontrolling transition states and validating the corresponding reaction mechanism in a previously reported asymmetric catalytic reaction; proposing and validating a plausible radical pathway through iterative hypothesis refinement for a recently discovered but unpublished $\alpha$-iodoboronate C-I cleavage reaction; and identifying a chemically interpretable descriptor that governs selectivity in nickel-catalysed migratory cross-coupling reactions. By coupling agentic reasoning with rigorous computational validation, ARCHE advances autonomous mechanistic discovery and establishes a foundation for broader machine-assisted chemical research. The code for ARCHE is publicly available at https://github.com/JetAstra/Arche-Harness.

cs.AI↗
arXiv2026

NCP-ArchPreview Technical Report: Moving towards Latent Space Language Models through Next Concept Prediction

We introduce NCP-ArchPreview, a latent-space language model that pushes autoregressive pretraining beyond standard next-token prediction (NTP). Alongside NTP, the model learns through Next Concept Prediction (NCP) to predict discrete concepts that span multiple tokens, introducing an explicit and more challenging concept-level objective while preserving standard token-level autoregressive generation. NCP-ArchPreview builds a latent space by constructing a product-quantized concept vocabulary directly from its hidden states, and subsequently learns to predict future concepts via a dedicated Concept Module. These predicted concepts are then fed back to the token level to guide subsequent generation, with NTP and NCP trained jointly end-to-end. We scale this architecture to 8.9B parameters and train it on 5.73T tokens from the Dolma-3 dataset, marking the largest demonstration of a latent-space language model to date. Remarkably, by consuming only 51.3% of the total training tokens, NCP-ArchPreview achieves the final pretraining loss of OLMo-3-7B. Following full pretraining, it outperforms OLMo-3-7B by 2.45 points on the downstream macro-average, including a notable 5.99-point gain on GSM8K. Controlled experiments isolate a clear progression of performance gains stemming from both the latent architecture and the NCP objective. Furthermore, utilizing only 85% of the standard computation, NCP-ArchPreview approaches the training loss of a strictly parameter-aligned 8.9B baseline. The learned latent space remains highly valuable after the pretraining stage: updating just the 17M-parameter VQ module yields a novel, lightweight interface for domain adaptation, while a simple injection of concept representations into a DFlash2 drafter improves the mean accepted length by 4.17% with negligible overhead.

cs.CL↗
arXiv2026

Intern-S2-Mobius: Foundation Model with Decoupled Knowledge and Reasoning

We introduce Mobius-v0, an architecture that comprises a globally shared Memory (FFN) that stores knowledge vectors and multiple Reasoners (Self-Attn) that iteratively achieve compositional reasoning. Using hidden states as cache and carrier, reasoners repeatedly query memory for required knowledge-vectors, while the knowledge is transmitted back to reasoning operators. Through this knowledge-reasoning-separation architecture, Mobius achieves better knowledge compression and reasoning efficiency. Built upon Mobius-v0 architecture: 1) Our 7B model trained-from-scratch achieves similar downstream score as a 7B Transformer baseline with 62.6% of baseline's training data. 2) Our Intern-S2-Mobius, continually-pretrained from Qwen3.5-35B, achieves similar downstream score while delivering nearly 4x end-to-end inference speedup.

cs.AI↗
arXiv2026

PI-Mem: Pushing Long-Context Reasoning to 3.6M Tokens with Parallel-Iterative Memory

Long-context reasoning remains a critical bottleneck for large language models, as recent recurrent-memory approaches face two inherent challenges: sequential chunk-wise updates can overwrite early critical evidence with later irrelevant content, and serial inter-chunk dependencies limit parallelism and cause latency to increase with context length. To address these issues, we propose PI-Mem (Parallel-Iterative Memory), a mechanism that processes all chunks in parallel and iteratively refines a shared memory over a bounded number of turns. In each turn, PI-Mem reads all chunks in parallel conditioned on the current memory, selects new or complementary evidence from each chunk, and merges the selected evidence into a compact shared memory for the next turn. To discourage redundant turns, we optimize the workflow through reinforcement learning with an auxiliary turn-efficiency reward, enabling the model to adaptively exit once sufficient evidence has been accumulated. We evaluate PI-Mem with Qwen3.5-35B-A3B and Qwen2.5-7B on the HotpotQA benchmark across context lengths up to 3.6 million tokens and find that it outperforms the recurrent-memory baseline by +6.25 and +7.81 absolute points while achieving 6.1$\times$ and 2.1$\times$ inference speedups, respectively. These results demonstrate that PI-Mem breaks the accuracy--efficiency trade-off in long-context reasoning and provides a scalable approach to complex multi-hop question answering over extremely long documents.

cs.CL↗
arXiv2026

MacAgentBench: Benchmarking AI Agents on Real-World macOS Desktop

Computer use agents (CUAs) have advanced rapidly in desktop automation, and a growing number of users deploy CUAs such as OpenClaw on Mac Mini for always-on automation. However, existing benchmarks, including those for macOS, evaluate agents without framework augmentation and rely on binary evaluation. As a result, they fail to capture both the framework capabilities leveraged by modern CUAs and the partial progress on long-horizon, multi-application tasks. We present MacAgentBench, a comprehensive macOS agent benchmark comprising 676 tasks across 25 applications, with nearly 60% involving both GUI and CLI interaction. The benchmark adopts deterministic rule-based evaluation and introduces fine-grained multi-checkpoint scoring with capability annotations for multi-application tasks. Experiments across three frameworks and 16 models show that the best configuration, Claude Opus 4.6 on OpenClaw, attains 73.7% Pass@1, while this advantage is primarily driven by the skill library rather than by framework design. Fine-grained metrics further reveal that models with similar Pass@1 can differ substantially in sub-goal completion. Our code and data are publicly available at https://github.com/JetAstra/MacAgentBench.

cs.AI↗
arXiv2026

UnityMAS-O: A General RL Optimization Framework for LLM-Based Multi-Agent Systems

LLM-based multi-agent systems decompose complex tasks into interacting roles, but most remain manually orchestrated by prompts, tools, and control rules, while agents are rarely optimized through a unified reinforcement learning interface. Existing RL post-training frameworks mainly target single-policy optimization and lack abstractions for user-defined multi-agent workflows, structured interaction, role-specific credit assignment, and configurable parameter sharing. We present UnityMAS-O, a general RL optimization framework for LLM-based multi-agent systems. UnityMAS-O treats the complete workflow as the optimization unit, rather than a single response or policy trajectory. It represents workflows through four first-class objects: logical agent roles, graph trajectories, user-defined rewards, and agent--model mappings. This decouples logical agents from physical model parameters, supporting full sharing, full separation, and partial sharing, with rewards assigned at role, turn, and trajectory levels. UnityMAS-O extends verl with a Ray-based star-topology runtime. A central controller executes workflows, invokes tools, records structured trajectories, and assembles rewards; model-local worker groups handle rollout, buffering, advantage computation, and distributed PPO-style updates. Users can define agents, workflows, model mappings, and rewards without rewriting the optimization infrastructure. We instantiate UnityMAS-O on retrieval-augmented QA, iterative agentic search, and reflective code generation. Across Natural Questions, HotpotQA, and held-out code tasks, multi-agent RL improves manually specified workflows after optimization, with especially large gains for smaller models and strict code all-passed metrics. These results show that UnityMAS-O can serve as a reusable substrate for converting diverse LLM-based multi-agent workflows into trainable multi-agent RL systems.

cs.AI↗
arXiv2026

FlexDraft: Flexible Speculative Decoding via Attention Tuning and Bonus-Guided Calibration

Speculative decoding accelerates memory-bound LLM inference without quality degradation by using a fast drafter to propose multiple candidate tokens and the target model to verify them in parallel. However, conventional sequential speculative decoding suffers from mutual waiting between drafting and verification, and repeated exchange of intermediate states further increases memory access overhead. Parallel speculative decoding addresses this limitation by performing drafting and verification within a single target forward pass, allowing future drafts to be prepared while current candidates are being verified. Although effective at small batch sizes, existing parallel speculative decoding methods either require costly continual pretraining with quality degradation or suffer from low acceptance rates. More importantly, this paradigm inherently suffers from uncertainty in both the bonus token and the accepted length, leading to draft verification mismatch and causing throughput gains to collapse at large batch sizes. To address these limitations, we introduce FlexDraft, a lossless speculative decoding framework that flexibly adapts to varying batch sizes through three key designs. (1) Attention Tuning enables block diffusion drafting by tuning only the attention projectors of the final few layers on mask tokens, while keeping the autoregressive path frozen to preserve the target distribution and produce high quality drafts with minimal trainable parameters. (2) Bonus-guided Calibration uses a lightweight MLP conditioned on the resolved bonus token to calibrate draft logits, mitigating draft verification mismatch caused by bonus token uncertainty. (3) Flex Decoding dynamically switches between parallel draft and verify at small batch sizes and sequential draft then verify at large batch sizes, and adjusts verification length based on draft confidence to eliminate redundant computation.

cs.CL↗
arXiv2026

CKT-WAM: Parameter-Efficient Context Knowledge Transfer Between World Action Models

World action models (WAMs) provide a powerful generative framework for embodied control, yet transferring knowledge across heterogeneous WAMs remains challenging due to mismatched latent interfaces, high adaptation cost, and the rigidity of conventional distillation objectives. We propose \textbf{CKT-WAM}, a parameter-efficient \textbf{C}ontext \textbf{K}nowledge \textbf{T}ransfer framework that transfers teacher WAM's knowledge into a student WAM through a compact context in the text embedding space, rather than output imitation or dense hidden-state matching. Specifically, CKT-WAM extracts intermediate teacher hidden states, reduces the number of tokens via compressors' learnable-query cross attention (LQCA), and transforms them through an always-on generalized adapter, a lightweight router, and sparsely activated specialized adapters. The resulting context is then appended to the student's conditioning textual embeddings, thereby injecting the transferred knowledge into the student with minimal architectural modification. Experiments show that CKT-WAM consistently improves zero-shot generalization and achieves the best overall performance on LIBERO-Plus, reaching 86.1\% total success rate with only 1.17\% trainable parameters, while approaching full fine-tuning performance. Beyond simulation, CKT-WAM also demonstrates strong real-world long-horizon manipulation ability, achieving the best average success rate of 83.3\% across four multi-step and long-horizon tasks. Code is available at https://github.com/YuhuaJiang2002/CKT-WAM.

cs.RO↗
arXiv2026

Auto-FlexSwitch: Efficient Dynamic Model Merging via Learnable Task Vector Compression

Model merging has attracted attention as an effective path toward multi-task adaptation by integrating knowledge from multiple task-specific models. Among existing approaches, dynamic merging mitigates performance degradation caused by conflicting parameter updates across tasks by flexibly combining task-specific parameters at inference time, thereby maintaining high performance. However, these methods require storing independent parameters for each task, resulting in prohibitive storage overhead. To address this issue, we first experimentally demonstrate that the fine-tuned weight increments (referred to as task vectors) exhibit an impulse-like activation pattern and high robustness to low-bit representations. Driven by this insight, we propose T-Switch, which decomposes task vectors into three compact components: a binary sparse mask, a sign vector, and a scalar scaling factor, achieving high-fidelity approximation at high compression ratios. We then introduce Auto-Switch, a training-free merging scheme that automatically composes task vectors via feature similarity retrieval. Building on this, we develop Auto-Switch, a training-free merging scheme that automatically assembles task vectors through feature similarity retrieval. Furthermore, to transform task vector sparsification and quantization from static rules to adaptive learning, we propose FlexSwitch, a learnable framework which jointly optimizes the compression strategy for each model unit via Learnable Gating Sparsification (LGS) and Bit-width Adaptive Selection (BAS), while employing the Sparsity-Aware Storage Strategy (SASS) to select the optimal storage encoding structure. Finally, by incorporating a K-Nearest Neighbor (KNN) inference scheme with a learnable low-rank metric, we present Auto-FlexSwitch, a dynamic model merging approach that supports highly efficient task vector compression.

cs.LG↗
arXiv2026

MARS$^2$: Scaling Multi-Agent Tree Search via Reinforcement Learning for Code Generation

Reinforcement learning (RL) paradigms have demonstrated strong performance on reasoning-intensive tasks such as code generation. However, limited trajectory diversity often leads to diminishing returns, which constrains the achievable performance ceiling. Search-enhanced RL alleviates this issue by introducing structured exploration, which remains constrained by the single-agent policy priors. Meanwhile, leveraging multiple interacting policies can acquire more diverse exploratory signals, but existing approaches are typically decoupled from structured search. We propose \textbf{MARS$^2$} (Multi-Agent Reinforced Tree-Search Scaling), a unified RL framework in which multiple independently-optimized agents collaborate within a shared tree-structured search environment. MARS$^2$ models the search tree as a learnable multi-agent interaction environment, enabling heterogeneous agents to collaboratively generate and refine candidate solutions within a shared search topology. To support effective learning, we introduce a path-level group advantage formulation based on tree-consistent reward shaping, which facilitates effective credit assignment across complex search trajectories. Experiments on code generation benchmarks show that MARS$^2$ consistently improves performance across diverse model combinations and training settings, demonstrating the effectiveness of coupling multi-agent collaboration with tree search for enhancing reinforcement learning. Our code is publicly available at https://github.com/TsinghuaC3I/MARTI.

cs.AI↗
arXiv2026

DARE: Diffusion Large Language Models Alignment and Reinforcement Executor

Diffusion large language models (dLLMs) are emerging as a compelling alternative to dominant autoregressive models, replacing strictly sequential token generation with iterative denoising and parallel generation dynamics. However, their open-source ecosystem remains fragmented across model families and, in particular, across post-training pipelines, where reinforcement learning objectives, rollout implementations and evaluation scripts are often released as paper-specific codebases. This fragmentation slows research iteration, raises the engineering burden of reproduction, and makes fair comparison across algorithms difficult. We present \textbf{DARE} (\textbf{d}LLMs \textbf{A}lignment and \textbf{R}einforcement \textbf{E}xecutor), an open framework for post-training and evaluating dLLMs. Built on top of verl~\cite{sheng2024hybridflow} and OpenCompass~\cite{2023opencompass}, DARE unifies supervised fine-tuning, parameter-efficient fine-tuning, preference optimization, and dLLM-specific reinforcement learning under a shared execution stack for both masked and block diffusion language models. Across representative model families including LLaDA, Dream, SDAR, and LLaDA2.x, DARE provides broad algorithmic coverage, reproducible benchmark evaluation, and practical acceleration. Extensive empirical results position that DARE serves as a reusable research substrate for developing, comparing, and deploying post-training methods for current and emerging dLLMs.

cs.CL↗
arXiv2026

Intern-S1-Pro: Scientific Multimodal Foundation Model at Trillion Scale

We introduce Intern-S1-Pro, the first one-trillion-parameter scientific multimodal foundation model. Scaling to this unprecedented size, the model delivers a comprehensive enhancement across both general and scientific domains. Beyond stronger reasoning and image-text understanding capabilities, its intelligence is augmented with advanced agent capabilities. Simultaneously, its scientific expertise has been vastly expanded to master over 100 specialized tasks across critical science fields, including chemistry, materials, life sciences, and earth sciences. Achieving this massive scale is made possible by the robust infrastructure support of XTuner and LMDeploy, which facilitates highly efficient Reinforcement Learning (RL) training at the 1-trillion parameter level while ensuring strict precision consistency between training and inference. By seamlessly integrating these advancements, Intern-S1-Pro further fortifies the fusion of general and specialized intelligence, working as a Specializable Generalist, demonstrating its position in the top tier of open-source models for general capabilities, while outperforming proprietary models in the depth of specialized scientific tasks.

cs.LG↗
arXiv2026

WIST: Web-Grounded Iterative Self-Play Tree for Domain-Targeted Reasoning Improvement

Recent progress in reinforcement learning with verifiable rewards (RLVR) offers a practical path to self-improvement of language models, but existing methods face a key trade-off: endogenous self-play can drift over iterations, while corpus-grounded approaches rely on curated data environments. We present \textbf{WIST}, a \textbf{W}eb-grounded \textbf{I}terative \textbf{S}elf-play \textbf{T}ree framework for domain-targeted reasoning improvement that learns directly from the open web without requiring any pre-arranged domain corpus. WIST incrementally expands a domain tree for exploration, and retrieves and cleans path-consistent web corpus to construct a controllable training environment. It then performs Challenger--Solver self-play with verifiable rewards, and feeds learnability signals back to update node posteriors and guide subsequent exploration through an adaptive curriculum. Across four backbones, WIST consistently improves over the base models and typically outperforms both purely endogenous self-evolution and corpus-grounded self-play baselines, with the Overall gains reaching \textbf{+9.8} (\textit{Qwen3-4B-Base}) and \textbf{+9.7} (\textit{OctoThinker-8B}). WIST is also domain-steerable, improving \textit{Qwen3-8B-Base} by \textbf{+14.79} in medicine and \textit{Qwen3-4B-Base} by \textbf{+5.28} on PhyBench. Ablations further confirm the importance of WIST's key components for stable open-web learning. Our Code is available at https://github.com/lfy-123/WIST.

cs.LG↗
arXiv2026

Pixel2Phys: Distilling Governing Laws from Visual Dynamics

Discovering physical laws directly from high-dimensional visual data is a long-standing human pursuit but remains a formidable challenge for machines, representing a fundamental goal of scientific intelligence. This task is inherently difficult because physical knowledge is low-dimensional and structured, whereas raw video observations are high-dimensional and redundant, with most pixels carrying little or no physical meaning. Extracting concise, physically relevant variables from such noisy data remains a key obstacle. To address this, we propose Pixel2Phys, a collaborative multi-agent framework adaptable to any Multimodal Large Language Model (MLLM). It emulates human scientific reasoning by employing a structured workflow to extract formalized physical knowledge through iterative hypothesis generation, validation, and refinement. By repeatedly formulating, and refining candidate equations on high-dimensional data, it identifies the most concise representations that best capture the underlying physical evolution. This automated exploration mimics the iterative workflow of human scientists, enabling AI to reveal interpretable governing equations directly from raw observations. Across diverse simulated and real-world physics videos, Pixel2Phys discovers accurate, interpretable governing equations and maintaining stable long-term extrapolation where baselines rapidly diverge.

cs.CE↗
arXiv2026

MARTI-MARS$^2$: Scaling Multi-Agent Self-Search via Reinforcement Learning for Code Generation

While the complex reasoning capability of Large Language Models (LLMs) has attracted significant attention, single-agent systems often encounter inherent performance ceilings in complex tasks such as code generation. Multi-agent collaboration offers a promising avenue to transcend these boundaries. However, existing frameworks typically rely on prompt-based test-time interactions or multi-role configurations trained with homogeneous parameters, limiting error correction capabilities and strategic diversity. In this paper, we propose a Multi-Agent Reinforced Training and Inference Framework with Self-Search Scaling (MARTI-MARS2), which integrates policy learning with multi-agent tree search by formulating the multi-agent collaborative exploration process as a dynamic and learnable environment. By allowing agents to iteratively explore and refine within the environment, the framework facilitates evolution from parameter-sharing homogeneous multi-role training to heterogeneous multi-agent training, breaking through single-agent capability limits. We also introduce an efficient inference strategy MARTI-MARS2-T+ to fully exploit the scaling potential of multi-agent collaboration at test time. We conduct extensive experiments across varied model scales (8B, 14B, and 32B) on challenging code generation benchmarks. Utilizing two collaborating 32B models, MARTI-MARS2 achieves 77.7%, outperforming strong baselines like GPT-5.1. Furthermore, MARTI-MARS2 reveals a novel scaling law: shifting from single-agent to homogeneous multi-role and ultimately to heterogeneous multi-agent paradigms progressively yields higher RL performance ceilings, robust TTS capabilities, and greater policy diversity, suggesting that policy diversity is critical for scaling intelligence via multi-agent reinforcement learning.

cs.LG↗
arXiv2026

LLMRouterBench: A Massive Benchmark and Unified Framework for LLM Routing

Large language model (LLM) routing assigns each query to the most suitable model from an ensemble. We introduce LLMRouterBench, a large-scale benchmark and unified framework for LLM routing. It comprises over 400K instances from 21 datasets and 33 models. Moreover, it provides comprehensive metrics for both performance-oriented routing and performance-cost trade-off routing, and integrates 10 representative routing baselines. Using LLMRouterBench, we systematically re-evaluate the field. While confirming strong model complementarity-the central premise of LLM routing-we find that many routing methods exhibit similar performance under unified evaluation, and several recent approaches, including commercial routers, fail to reliably outperform a simple baseline. Meanwhile, a substantial gap remains to the Oracle, driven primarily by persistent model-recall failures. We further show that backbone embedding models have limited impact, that larger ensembles exhibit diminishing returns compared to careful model curation, and that the benchmark also enables latency-aware analysis. All code and data are available at https://github.com/ynulihao/LLMRouterBench.

cs.AI↗
arXiv2025

Leveraging Adaptive Group Negotiation for Heterogeneous Multi-Robot Collaboration with Large Language Models

Multi-robot collaboration tasks often require heterogeneous robots to work together over long horizons under spatial constraints and environmental uncertainties. Although Large Language Models (LLMs) excel at reasoning and planning, their potential for coordinated control has not been fully explored. Inspired by human teamwork, we present CLiMRS (Cooperative Large-Language-Model-Driven Heterogeneous Multi-Robot System), an adaptive group negotiation framework among LLMs for multi-robot collaboration. This framework pairs each robot with an LLM agent and dynamically forms subgroups through a general proposal planner. Within each subgroup, a subgroup manager leads perception-driven multi-LLM discussions to get commands for actions. Feedback is provided by both robot execution outcomes and environment changes. This grouping-planning-execution-feedback loop enables efficient planning and robust execution. To evaluate these capabilities, we introduce CLiMBench, a heterogeneous multi-robot benchmark of challenging assembly tasks. Our experiments show that CLiMRS surpasses the best baseline, achieving over 40% higher efficiency on complex tasks without sacrificing success on simpler ones. Overall, our results demonstrate that leveraging human-inspired group formation and negotiation principles significantly enhances the efficiency of heterogeneous multi-robot collaboration. Our code is available here: https://github.com/song-siqi/CLiMRS.

cs.RO↗
arXiv2025

D2Pruner: Debiased Importance and Structural Diversity for MLLM Token Pruning

Processing long visual token sequences poses a significant computational burden on Multimodal Large Language Models (MLLMs). While token pruning offers a path to acceleration, we find that current methods, while adequate for general understanding, catastrophically fail on fine-grained localization tasks. We attribute this failure to the inherent flaws of the two prevailing strategies: importance-based methods suffer from a strong positional bias, an inherent model artifact that distracts from semantic content, while diversity-based methods exhibit structural blindness, disregarding the user's prompt and spatial redundancy. To address this, we introduce D2Pruner, a framework that rectifies these issues by uniquely combining debiased importance with a structural pruning mechanism. Our method first secures a core set of the most critical tokens as pivots based on a debiased attention score. It then performs a Maximal Independent Set (MIS) selection on the remaining tokens, which are modeled on a hybrid graph where edges signify spatial proximity and semantic similarity. This process iteratively preserves the most important and available token while removing its neighbors, ensuring that the supplementary tokens are chosen to maximize importance and diversity. Extensive experiments demonstrate that D2Pruner has exceptional efficiency and fidelity. Applied to LLaVA-1.5-7B for general understanding tasks, it reduces FLOPs by 74.2\% while retaining 99.2\% of its original performance. Furthermore, in challenging localization benchmarks with InternVL-2.5-8B, it maintains 85.7\% performance at a 90\% token reduction rate, marking a significant advancement with up to 63. 53\% improvement over existing methods.

cs.CV↗