Abstract:Mixture-of-Experts (MoE) effectively scales model capacity while preserving computational efficiency through sparse expert activation. However, training high-quality MoEs from scratch is prohibitively expensive. A promising alternative is to convert pretrained dense models into sparse MoEs. Existing dense-to-MoE methods fall into two categories: \textbf{dynamic structural pruning} that converts dense models into MoE architectures with moderate sparsity to balance performance and inference efficiency, and \textbf{downcycling} approaches that use pretrained dense models to initialize highly sparse MoE architectures. However, existing methods break the intrinsic activation patterns within dense models, leading to suboptimal expert construction. In this work, we argue that the Gated Linear Unit (GLU) mechanism provides a natural blueprint for dense-to-MoE conversion. We show that the fine-grained neural-wise activation patterns of GLU reveal a coarse-grained structure, uncovering an inherent MoE architecture composed of consistently activated universal neurons and dynamically activated specialized neurons. Leveraging this discovery, we introduce ExpertWeaver, a training-free framework that partitions neurons according to their activation patterns and constructs shared experts and specialized routed experts with layer-adaptive configurations. Our experiments demonstrate that ExpertWeaver significantly outperforms existing methods, both as a training-free dynamic structural pruning technique and as a downcycling strategy for superior MoE initialization.
Abstract:The emergence of Self-Driving Laboratories (SDLs) transforms scientific discovery methodology by integrating AI with robotic automation to create closed-loop experimental systems capable of autonomous hypothesis generation, experimentation, and analysis. While promising to compress research timelines from years to weeks, their deployment introduces unprecedented safety challenges differing from traditional laboratories or purely digital AI. This paper presents Safe-SDL, a comprehensive framework for establishing robust safety boundaries and control mechanisms in AI-driven autonomous laboratories. We identify and analyze the critical ``Syntax-to-Safety Gap'' -- the disconnect between AI-generated syntactically correct commands and their physical safety implications -- as the central challenge in SDL deployment. Our framework addresses this gap through three synergistic components: (1) formally defined Operational Design Domains (ODDs) that constrain system behavior within mathematically verified boundaries, (2) Control Barrier Functions (CBFs) that provide real-time safety guarantees through continuous state-space monitoring, and (3) a novel Transactional Safety Protocol (CRUTD) that ensures atomic consistency between digital planning and physical execution. We ground our theoretical contributions through analysis of existing implementations including UniLabOS and the Osprey architecture, demonstrating how these systems instantiate key safety principles. Evaluation against the LabSafety Bench reveals that current foundation models exhibit significant safety failures, demonstrating that architectural safety mechanisms are essential rather than optional. Our framework provides both theoretical foundations and practical implementation guidance for safe deployment of autonomous scientific systems, establishing the groundwork for responsible acceleration of AI-driven discovery.
Abstract:LLMs often underperform on complex reasoning tasks when relying on a single generation-and-selection pipeline. Inference-time ensemble methods can improve performance by sampling diverse reasoning paths or aggregating multiple candidate answers, but they typically treat candidates independently and provide no formal guarantees that ensembling improves reasoning quality. We propose a novel method, Aligned Delegation for Multi-Agent LLM Reasoning (ALIGN), which formulates LLM reasoning as an aligned delegation game. In ALIGN, a principal delegates a task to multiple agents that generate candidate solutions under designed incentives, and then selects among their outputs to produce a final answer. This formulation induces structured interaction among agents while preserving alignment between agent and principal objectives. We establish theoretical guarantees showing that, under a fair comparison with equal access to candidate solutions, ALIGN provably improves expected performance over single-agent generation. Our analysis accommodates correlated candidate answers and relaxes independence assumptions that are commonly used in prior work. Empirical results across a broad range of LLM reasoning benchmarks consistently demonstrate that ALIGN outperforms strong single-agent and ensemble baselines.
Abstract:Recent years have witnessed increasing interest in extending large language models into agentic systems. While the effectiveness of agents has continued to improve, efficiency, which is crucial for real-world deployment, has often been overlooked. This paper therefore investigates efficiency from three core components of agents: memory, tool learning, and planning, considering costs such as latency, tokens, steps, etc. Aimed at conducting comprehensive research addressing the efficiency of the agentic system itself, we review a broad range of recent approaches that differ in implementation yet frequently converge on shared high-level principles including but not limited to bounding context via compression and management, designing reinforcement learning rewards to minimize tool invocation, and employing controlled search mechanisms to enhance efficiency, which we discuss in detail. Accordingly, we characterize efficiency in two complementary ways: comparing effectiveness under a fixed cost budget, and comparing cost at a comparable level of effectiveness. This trade-off can also be viewed through the Pareto frontier between effectiveness and cost. From this perspective, we also examine efficiency oriented benchmarks by summarizing evaluation protocols for these components and consolidating commonly reported efficiency metrics from both benchmark and methodological studies. Moreover, we discuss the key challenges and future directions, with the goal of providing promising insights.
Abstract:While recent Multimodal Large Language Models (MLLMs) have attained significant strides in multimodal reasoning, their reasoning processes remain predominantly text-centric, leading to suboptimal performance in complex long-horizon, vision-centric tasks. In this paper, we establish a novel Generative Multimodal Reasoning paradigm and introduce DiffThinker, a diffusion-based reasoning framework. Conceptually, DiffThinker reformulates multimodal reasoning as a native generative image-to-image task, achieving superior logical consistency and spatial precision in vision-centric tasks. We perform a systematic comparison between DiffThinker and MLLMs, providing the first in-depth investigation into the intrinsic characteristics of this paradigm, revealing four core properties: efficiency, controllability, native parallelism, and collaboration. Extensive experiments across four domains (sequential planning, combinatorial optimization, constraint satisfaction, and spatial configuration) demonstrate that DiffThinker significantly outperforms leading closed source models including GPT-5 (+314.2\%) and Gemini-3-Flash (+111.6\%), as well as the fine-tuned Qwen3-VL-32B baseline (+39.0\%), highlighting generative multimodal reasoning as a promising approach for vision-centric reasoning.




Abstract:AI agents are emerging as a practical way to run multi-step scientific workflows that interleave reasoning with tool use and verification, pointing to a shift from isolated AI-assisted steps toward \emph{agentic science at scale}. This shift is increasingly feasible, as scientific tools and models can be invoked through stable interfaces and verified with recorded execution traces, and increasingly necessary, as AI accelerates scientific output and stresses the peer-review and publication pipeline, raising the bar for traceability and credible evaluation. However, scaling agentic science remains difficult: workflows are hard to observe and reproduce; many tools and laboratory systems are not agent-ready; execution is hard to trace and govern; and prototype AI Scientist systems are often bespoke, limiting reuse and systematic improvement from real workflow signals. We argue that scaling agentic science requires an infrastructure-and-ecosystem approach, instantiated in Bohrium+SciMaster. Bohrium acts as a managed, traceable hub for AI4S assets -- akin to a HuggingFace of AI for Science -- that turns diverse scientific data, software, compute, and laboratory systems into agent-ready capabilities. SciMaster orchestrates these capabilities into long-horizon scientific workflows, on which scientific agents can be composed and executed. Between infrastructure and orchestration, a \emph{scientific intelligence substrate} organizes reusable models, knowledge, and components into executable building blocks for workflow reasoning and action, enabling composition, auditability, and improvement through use. We demonstrate this stack with eleven representative master agents in real workflows, achieving orders-of-magnitude reductions in end-to-end scientific cycle time and generating execution-grounded signals from real workloads at multi-million scale.
Abstract:The rapid advancement of Large Language Models (LLMs) has led to performance saturation on many established benchmarks, questioning their ability to distinguish frontier models. Concurrently, existing high-difficulty benchmarks often suffer from narrow disciplinary focus, oversimplified answer formats, and vulnerability to data contamination, creating a fidelity gap with real-world scientific inquiry. To address these challenges, we introduce ATLAS (AGI-Oriented Testbed for Logical Application in Science), a large-scale, high-difficulty, and cross-disciplinary evaluation suite composed of approximately 800 original problems. Developed by domain experts (PhD-level and above), ATLAS spans seven core scientific fields: mathematics, physics, chemistry, biology, computer science, earth science, and materials science. Its key features include: (1) High Originality and Contamination Resistance, with all questions newly created or substantially adapted to prevent test data leakage; (2) Cross-Disciplinary Focus, designed to assess models' ability to integrate knowledge and reason across scientific domains; (3) High-Fidelity Answers, prioritizing complex, open-ended answers involving multi-step reasoning and LaTeX-formatted expressions over simple multiple-choice questions; and (4) Rigorous Quality Control, employing a multi-stage process of expert peer review and adversarial testing to ensure question difficulty, scientific value, and correctness. We also propose a robust evaluation paradigm using a panel of LLM judges for automated, nuanced assessment of complex answers. Preliminary results on leading models demonstrate ATLAS's effectiveness in differentiating their advanced scientific reasoning capabilities. We plan to develop ATLAS into a long-term, open, community-driven platform to provide a reliable "ruler" for progress toward Artificial General Intelligence.
Abstract:With the rapid advancement of large language models (LLMs), Multi-agent Systems (MAS) have achieved significant progress in various application scenarios. However, substantial challenges remain in designing versatile, robust, and efficient platforms for agent deployment. To address these limitations, we propose \textbf{LightAgent}, a lightweight yet powerful agentic framework, effectively resolving the trade-off between flexibility and simplicity found in existing frameworks. LightAgent integrates core functionalities such as Memory (mem0), Tools, and Tree of Thought (ToT), while maintaining an extremely lightweight structure. As a fully open-source solution, it seamlessly integrates with mainstream chat platforms, enabling developers to easily build self-learning agents. We have released LightAgent at \href{https://github.com/wxai-space/LightAgent}{https://github.com/wxai-space/LightAgent}




Abstract:Handling unanswerable questions (UAQ) is crucial for LLMs, as it helps prevent misleading responses in complex situations. While previous studies have built several datasets to assess LLMs' performance on UAQ, these datasets lack factual knowledge support, which limits the evaluation of LLMs' ability to utilize their factual knowledge when handling UAQ. To address the limitation, we introduce a new unanswerable question dataset UAQFact, a bilingual dataset with auxiliary factual knowledge created from a Knowledge Graph. Based on UAQFact, we further define two new tasks to measure LLMs' ability to utilize internal and external factual knowledge, respectively. Our experimental results across multiple LLM series show that UAQFact presents significant challenges, as LLMs do not consistently perform well even when they have factual knowledge stored. Additionally, we find that incorporating external knowledge may enhance performance, but LLMs still cannot make full use of the knowledge which may result in incorrect responses.
Abstract:Despite policymakers deploying various tools to mitigate emissions of ozone (O\textsubscript{3}) precursors, such as nitrogen oxides (NO\textsubscript{x}), carbon monoxide (CO), and volatile organic compounds (VOCs), the effectiveness of policy combinations remains uncertain. We employ an integrated framework that couples structural break detection with machine learning to pinpoint effective interventions across the building, electricity, industrial, and transport sectors, identifying treatment effects as abrupt changes without prior assumptions about policy treatment assignment and timing. Applied to two decades of global O\textsubscript{3} precursor emissions data, we detect 78, 77, and 78 structural breaks for NO\textsubscript{x}, CO, and VOCs, corresponding to cumulative emission reductions of 0.96-0.97 Gt, 2.84-2.88 Gt, and 0.47-0.48 Gt, respectively. Sector-level analysis shows that electricity sector structural policies cut NO\textsubscript{x} by up to 32.4\%, while in buildings, developed countries combined adoption subsidies with carbon taxes to achieve 42.7\% CO reductions and developing countries used financing plus fuel taxes to secure 52.3\%. VOCs abatement peaked at 38.5\% when fossil-fuel subsidy reforms were paired with financial incentives. Finally, hybrid strategies merging non-price measures (subsidies, bans, mandates) with pricing instruments delivered up to an additional 10\% co-benefit. These findings guide the sequencing and complementarity of context-specific policy portfolios for O\textsubscript{3} precursor mitigation.