arXiv subjects

Bowen Zhou

Publications and source records attributed to Bowen Zhou.

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and validating a plausible radical pathway through iterative hypothesis refinement for a recently discovered but unpublished $\alpha$-iodoboronate C-I cleavage reaction; and identifying a chemically interpretable descriptor that governs selectivity in nickel-catalysed migratory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

The Last AI Built by Humans: Toward Genuine Recursive Self-Improvement

Recursive self-improvement (RSI) enables AI systems to turn experience and feedback into persistent changes that improve both their capabilities and the process of future improvement. We first use the Headroom-Closed Index (HCI) to reveal the problems of existing LLMs, then introduce the RSI concept and its development roadmap: from improvement-execution autonomy, improvement-strategy autonomy, experience-acquisition autonomy, and environment-adaptation autonomy, to recursive meta-improvement. Next we examine RSI across scenarios (e.g., scientific discovery, embodied intelligence, software engineering), highlighting their distinct requirements and development speeds. Drawing on diverse industry practices and preliminary empirical evidence, we connect RSI research with practical systems and identify key challenges to achieving genuine RSI.

cs.LG↗

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

DianShi-RxnDB: A Large-Scale, Fine-Grained Organic Reaction Data Platform Built via a Fully Automated Pipeline for Researchers and AI Agents

High-quality structured organic reaction data are essential for developing artificial intelligence for chemistry (AI4Chem), yet much of this knowledge remains dispersed across patent text, images, and reaction schemes. We present DianShi-RxnDB, a large-scale, fine-grained organic reaction data platform built via a fully automated extraction and normalization pipeline integrating patent text, images, and reaction schemes. Its corpus covers organic synthesis patents from the USPTO and EPO published between 1976 and 2025, yielding approximately 24 million reaction instances, of which approximately 14.8 million (61.7%) pass automated qualification checks. Each instance represents a specific single-step experiment recording participants, roles, quantities, temperatures, reaction times, yields, experimental procedures, and provenance links to source patents. In a manual evaluation of 1,300 sampled qualified instances, the micro-averaged field-level accuracy was 92.95%. A matched comparison with Pistachio further indicated advantages in deduplicated record counts, representation granularity, and field-level exact agreement. The platform provides a Web research workbench for searching, filtering, comparing, and source-verifying records, and a Model Context Protocol (MCP) service offering AI agents composable structured retrieval tools. DianShi-RxnDB is available at https://dianshi.opendatalab.org.cn/ .

cs.CL↗

arXiv2026

Safin-1: Safety from Within through Memory-Native State Evolution

Long-horizon complex tasks require foundation models to accumulate information, maintain internal states, and adapt over extended interactions. Safety should be an intrinsic property of the model itself, rather than a behavioral constraint relying solely on external safeguards or post-hoc alignment such as supervised fine-tuning. This motivates Safety from Within, where safety-relevant capabilities are represented and invoked through the model's native computation. We present Safin-1, a family of foundation models realizing this principle through memory routing and state evolution. Safin-1 is built on Memory-Anchor Routing across Context History (MARCH), a network architecture that maintains structured memory states and selectively retrieves relevant historical information through content-conditioned routing. It supports test-time adaptation of persistent capability states without repeatedly modifying the backbone, enabling controlled specialization over a shared foundation. We investigate this interface on downstream safety tasks through a Safety State, demonstrating effective state-based adaptation with substantial safety improvements. More broadly, the routed-state interface unifies contextual memory and persistent capability adaptation within the model's native computation, reframing memory from a passive record of prior context into an active substrate for maintaining and evolving model behavior. Evaluations across general capabilities, long-context understanding, retrieval, and efficiency further validate Safin-1. These findings provide a path toward safety as a state-native and adaptively maintainable capability. This work is only an initial architectural exploration of Safety from Within, and substantial further work is needed to realize this broader vision.

cs.LG↗

arXiv2026

Understanding Cognition-Induced Risks in Agentic AI Systems

Frontier agentic systems powered by large language models (LLMs) exhibit human-like patterns of cognition. As these systems become deeply integrated across different domains, their cognitive engagement raises critical concerns for human society that remain insufficiently studied. To address this gap, we systematically analyze risks induced by expanding cognitive capabilities, following a three-level framework defined by their cognitive scope, from physical cognition to social cognition, and finally to self-referential cognition. We study their potential risks to human agency, autonomy, and control capability, corresponding to each cognitive level. We finally propose strategies to mitigate these risks and enhance the controllability of agentic AI systems, ensuring their long-term safe development.

cs.AI↗

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

MARCH: Scaling Recurrent Memory with Content-Routed State Anchors

Transformers owe much of their strong long-context retrieval capability to a token-level memory that grows with context length. This flexibility, however, incurs a quadratic computation complexity during training and a key--value cache that grows linearly during autoregressive inference. Recurrent alternatives offer efficient decoding by compressing the entire history into a fixed-size state, but often underperform on recall-intensive tasks since earlier associations usually get overwritten by subsequent updates, and only the most recent contextual information is retained. In this paper, we introduce Memory-Anchor Routing across Context History (MARCH), a network architecture that effectively scales state-space models beyond a fixed-size dimension, while maintaining computational efficiency over long-sequences. MARCH periodically caches cumulative recurrent-state checkpoints as state anchors and associates each anchor with a compact, content-conditioned anchor key. This lets MARCH maintain a memory bank, which can grow as context length increases, providing a controllable trade-off between historical resolution and memory cost. At each token, MARCH produces an anchor query to attend all causally available state anchors, and the output is calculated as an attention-style aggregation over all historical anchors along the current state. We show that after standard pretraining, MARCH consistently outperforms multiple linear attention variants across commonsense reasoning, LongBench, and in-context retrieval. These results demonstrate that content-routed state caching substantially strengthens recurrent long-range memory while preserving its native computation path.

cs.LG↗

arXiv2026

DynaPPI: A Large-scale Dynamic Protein Dataset for AI-driven Advances in Protein Interactomics

Diffusion models have been widely explored in protein backbone generation due to their powerful generation capabilities.However, in today's AI-driven biological research, predicting the structure of unknown multi-chain protein aggregates (called "complexes" in biology) remains an unsolved challenge.This is because existing static or dynamic protein datasets focus solely on static snapshots or single-entity trajectories, neglecting the dynamic process of multiple monomers forming complexes.To alleviate this dilemma, we present DynaPPI, a dynamic protein dataset comprising molecular dynamics (MD) trajectories of protein complex formation from dissociated chains to the bound state, as a pivotal resource to bridge the gap between static structural biology and the inherently temporal nature of dynamic molecular interactions.Benefiting from this dataset, diffusion models can explicitly learn the dynamic binding trajectories of known complexes and accurately predict the structures of unknown complexes based on their diverse generative properties, thereby further catalyzing AI-driven structural biology and protein interactomics.

cs.CV↗

arXiv2026

Distilling Physical Priors into Streaming World Models

Streaming world models predict future visual states online while maintaining physically coherent dynamics over long horizons. However, their rollouts often violate basic physical constraints. A common approach distills pretrained bidirectional DiTs into few-step causal generators. However, this paradigm suffers from two fundamental limitations: generic bidirectional teachers acquire limited physical priors from visually oriented pretraining, and the limited priors suffer further loss during bidirectional-to-causal distillation. We present PhyS, a three-stage framework for distilling physical priors into streaming world models. To acquire physical priors from real-world interactions, we construct PhyS-120K, a dataset of 120K real-world physical-interaction videos spanning rigid-body dynamics, soft-body deformation, fluid phenomena, and phase transitions. Each video is annotated with structured descriptions of object properties and causal state transitions. Physics-aware supervised fine-tuning injects the physical priors into a bidirectional 14B DiT teacher, which we then distill into a lightweight 1.3B causal DiT for few-step autoregressive streaming generation. Finally, we use online reinforcement learning to incentivize the distilled model to generate physically plausible rollouts and further propose Temporal Credit Routing (TCR) to address temporal credit assignment. TCR evaluates physical consistency over overlapping temporal windows and routes the resulting group-relative advantages to temporally aligned denoising actions. On PhysicsIQ, PhyS improves the Wan2.1-14B teacher by 18.2\% and the Self Forcing, Rolling Forcing, and Causal Forcing by 23.7\%, 14.8\%, and 31.4\%, respectively. Results also improve the physics-aware video benchmarks VideoPhy, VideoPhy2, and PhyGenBench. The dataset, code, and more sample videos are available on our Project Page.

cs.CV↗

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

MinerU.Chem: A High-Precision System for Optical Chemical Structure and Reaction Recognition

In organic chemistry papers and patents, molecular structures, reaction schemes, and experimental conditions are often presented as molecular structure depictions, reaction diagrams, and complex tables or figures. Such information is difficult for general-purpose document parsing systems to directly convert into machine-readable data. This limits data production for organic chemistry knowledge base construction and for AI for Chemistry tasks such as reaction prediction, retrosynthesis, condition recommendation, molecular property prediction, and drug molecule design. This report introduces MinerU-Chem, a document parsing system for organic chemistry literature integrated into the MinerU online platform. Built on top of MinerU's general document parsing pipeline, MinerU-Chem adds five chemistry-specific modules: chemistry relevance filtering, molecular structure detection, molecule identifier extraction, molecular structure recognition, and reaction scheme parsing. Together, these modules convert organic-chemistry-related image regions in documents into a Molecule Summary List and a Reaction Summary List. For molecular structure recognition, MinerU-Chem uses CARBON (Complex Atomic Representation and Bonding Object Notation) as its core representation. CARBON enables recognition results to preserve both the visual layout of the original image and complex chemical semantics, while supporting the export of standard downstream formats such as MolFile and SMILES. On the SMILES-evaluable subset of MolRecBench-Wild (N=2,392), MinerU-Chem's molecular structure recognition module achieves a SMILES exact-match accuracy of 93.02%, outperforming the best evaluated comparison system, GPT-5.6-Sol (74.87%), by 18.15 percentage points. The system has been integrated into the MinerU online platform and is available at https://mineru.net/OpenSourceTools/Extractor .

cs.CV↗

arXiv2026

DeepVoyager-VL: Incentivizing Vision-in-the-Loop Search for Long-Horizon Multimodal Agents

Multimodal large language models (MLLMs) have advanced visual understanding and reasoning, yet their static parametric knowledge limits their ability to address knowledge-intensive and dynamically evolving open-world problems. To move beyond this limitation, multimodal deep search has emerged as a key direction for open-world information access, evolving from single-turn factual retrieval toward long-horizon, multi-turn search guided by visual evidence. However, existing methods typically confine vision to the input or answer stage, overlooking its role in intermediate reasoning, and lack designs tailored to long-horizon interaction. Consequently, visual evidence rarely drives continued retrieval, constraining both interaction depth and reasoning span. To address these limitations, we propose DeepVoyager-VL, a long-horizon multimodal deep-search framework for vision-in-the-loop search. Specifically, we construct a multimodal event graph to drive data synthesis, yielding problems with intermediate visual dependencies and long reasoning chains. We then design an agent framework for active visual acquisition and on-demand image loading. Finally, we fine-tune models on the synthesized data without reinforcement learning. Extensive experiments across ten multimodal search benchmarks demonstrate the effectiveness of our method.

cs.CV↗

arXiv2026

Memory Decoder at Scale: A Pretrained, Parametric Long-Term Memory

Decoder-only language models entangle long-term memory and reasoning in a single parameter set, making it difficult to scale memory capacity independently. Memory Decoder introduces a parametric long-term memory module but only studies it at a relatively small scale. In this work, we present Memory Decoder at Scale, scaling memory models up to 6.9B parameters and pretraining them on 300B tokens. At this data scale, the combined cost of indexing and search makes a standard Faiss pipeline infeasible. We address this bottleneck with a distributed pipeline for Faiss indexing and retrieval, together with sparse, batch-wise loading of kNN distributions. Across model scales, we find that allocating more parameters to memory yields a better parameter-performance tradeoff than scaling the base model alone. On 17 benchmarks, pairing a 6.9B general memory with Pythia-410M raises its average score from 29.86 to 37.34, surpassing Pythia-12B (37.24) with 39% fewer total parameters. For Qwen3 Base models ranging from 0.6B to 14B, 1.7B domain memories improve the average score across the three domains by more than 9 points at every scale. Overall, our results demonstrate that independently scaling pretrained memory offers a more parameter efficient path to improving language model performance.

cs.CL↗

arXiv2026

Frontis-MA1: Training an AI4AI Model towards Recursive Self-Improvement in Machine Learning Engineering

Recursive self-improvement (RSI) requires AI systems that improve the process of building AI (i.e., AI4AI); machine learning engineering (MLE) offers a concrete, executable testbed for studying this capability. We introduce OpenMLE, an open full-stack system for RSI research in MLE, spanning verifiable task environments with execution feedback (OpenMLE-Gym), operator learning (OpenMLE-RL), and long-horizon search (OpenMLE-Evo). On this stack we post-train Frontis-MA1 (35B) as a meta-evolution agent for MLE, aligning post-training and inference around four atomic program-evolution operators (Draft, Improve, Debug, Crossover): the same operators are trained via execution-grounded SFT and RL on data deduplicated against all evaluation benchmarks, then composed into long-horizon search, coupling learning and evolution in a single loop. On MLE-Bench Lite under a 12-hour per-task budget on one RTX 4090 capped at 12 GB VRAM, Frontis-MA1 (35B) improves Medal Average from 39.39% to 60.61% over its base model with OpenMLE-Evo, and reaches 71.21% with OpenMLE-Evo-Max (benchmark-independent experience priors and asynchronous search), exceeding GPT-5.5 + Codex and approaching GPT-5.6 Sol and the 2.8T Kimi K3. On held-out NatureBench Lite, both components transfer: with the framework fixed, swapping in the trained model raises Match-SOTA from 50% to 70%; with the model fixed, swapping in OpenMLE-Evo raises it from 20% to 50%. We release the model weights and the full OpenMLE stack to enable reproducible research on executable AI4AI toward RSI. Code: https://github.com/FrontisAI/OpenRSI

cs.CL↗

arXiv2026

MemSFT: Mitigating Alignment Tax with an External Parametric Memory

Adapting Large Language Models (LLMs) to specialized domains often incurs an alignment tax, as fine-tuning on domain-specific tasks can cause catastrophic forgetting and substantially degrade performance on general tasks. We propose MemSFT, which mitigates the alignment tax by decoupling domain specialization from backbone parameter updates through a plug-and-play parametric memory. The memory is trained to imitate the behavior of a non-parametric retriever operating over domain data, thereby memorizing knowledge and patterns that would otherwise be accessed through retrieval. Once trained on a specific domain, the memory can be reused across LLMs of different sizes. During generation, a learned router dynamically fuses the output distributions of the memory and backbone at each decoding step, allowing domain expertise to be invoked selectively. Across biology, geoscience, and law, evaluations with models ranging from Qwen3-8B to Qwen3-235B-A22B show that MemSFT consistently improves domain performance with negligible degradation in general performance, whereas full SFT suffers severe forgetting on general tasks. Overall, our results demonstrate a practical path to decoupling general model capabilities from domain-specific knowledge at the parameter level, thereby equipping LLMs with new specialized capabilities without compromising their general capabilities.

cs.LG↗

arXiv2026

Accurate, Interdisciplinary and Transparent Structure-property Understanding with Deep Native Structural Reasoning

Structure-property relationships are foundational to biology, chemistry and materials science, where function, reactivity and physical response emerge from spatial, chemical and periodic organization. Mechanistically explaining these relationships requires interpreting structural evidence through scientific principles and physical constraints, from stereochemistry and bonding to symmetry, energetics and periodic order. However, applying artificial intelligence to this process presents a joint challenge of representation and reasoning: models must preserve domain-native structural information while showing how specific evidence supports predictions under these constraints. Here we introduce SciReasoner, a multimodal scientific foundation model for native structural reasoning across proteins, small molecules and inorganic crystals. SciReasoner discretizes coordinates, topologies and periodic connectivities into a unified structure-aware vocabulary, treating structural tokens as addressable evidence units during reasoning. In homology-controlled Gene Ontology prediction, SciReasoner improves Cellular Component annotation for low-homology and orphan-like proteins, increasing $F_{\max}$ from 0.42 to 0.55. In chemistry, it raises single-step retrosynthesis accuracy from 0.63 to 0.72 while generating fragment-level disconnection and precursor-verification traces. In materials science, its representations separate elemental and compound phases and resolve high- and low-band-gap regimes. Across 86 benchmarks, SciReasoner achieves state-of-the-art performance on 67 tasks. Double-blind expert evaluation rates its reasoning traces as preferred or at least comparable to those of a frontier large language model in 98% of cases. By making structure an inspectable substrate for reasoning under scientific constraints, SciReasoner connects accurate prediction with interpretable scientific inference.

cs.CL↗

arXiv2026

A Definition and Roadmap for World Models

World models -- internal simulators that learn the structure and dynamics of an environment -- have become one of the most actively debated concepts in AI. From model-based reinforcement learning and video generation to embodied robotics and ultimately, physical AI, researchers across AI subfields are building systems that they call "world models", yet there is no consensus on what a world model fundamentally is, what it should predict, or how it should be built. This perspective article provides a scientific definition of world models, discussions of their key technical aspects, and a staged roadmap for developing effective world models.

cs.AI↗