arXiv subjects

Jinouwen Zhang

Publications and source records attributed to Jinouwen Zhang.

7 recordsLinked to original sources

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

S3Mem: Structured Spatiotemporal Scene-Event Memory for Long-Horizon Interactive Question Answering

Long-horizon memory question answering often requires sparse evidence from heterogeneous histories, including events, object states, visual observations, temporal relations, and causal steps. Existing memory interfaces expand reader context, retrieve semantically related chunks, or expose graph neighborhoods, but they are not explicitly designed to select compact evidence for a fixed reader. We propose Structured Spatiotemporal Scene--Event Memory (S3Mem), a query-time memory interface that writes textual, visual, and agent-use histories into structured scene--event units and routes compact evidence packs to the reader. Its router scores candidate units, query anchors, and anchor--support links, enabling both single-hop selection and short multi-hop evidence chains without reader fine-tuning or test-time training. Across LoCoMo, EMemBench Visual Games, and AMA-Bench, S3Mem provides a strong score--token trade-off, with the clearest gains on localized event, state, temporal, causal, or provenance evidence. On LoCoMo, S3Mem reaches $0.48$ F1 and $0.40$ BLEU with (1{,}073) evidence tokens per question, about $15.8\times$ fewer than the LoCoMo reference. On EMemBench Visual Games, it obtains the best F1 and second-best accuracy with only $189$tokens.On AMA-Bench, it is not the highest-scoring method, but remains competitive while using the fewest reader-visible evidence tokens.

cs.CL↗

arXiv2026

SciIF: Benchmarking Scientific Instruction Following Towards Rigorous Scientific Intelligence

As large language models (LLMs) transition from general knowledge retrieval to complex scientific discovery, their evaluation standards must also incorporate the rigorous norms of scientific inquiry. Existing benchmarks exhibit a critical blind spot: general instruction-following metrics focus on superficial formatting, while domain-specific scientific benchmarks assess only final-answer correctness, often rewarding models that arrive at the right result with the wrong reasons. To address this gap, we introduce scientific instruction following: the capability to solve problems while strictly adhering to the constraints that establish scientific validity. Specifically, we introduce SciIF, a multi-discipline benchmark that evaluates this capability by pairing university-level problems with a fixed catalog of constraints across three pillars: scientific conditions (e.g., boundary checks and assumptions), semantic stability (e.g., unit and symbol conventions), and specific processes(e.g., required numerical methods). Uniquely, SciIF emphasizes auditability, requiring models to provide explicit evidence of constraint satisfaction rather than implicit compliance. By measuring both solution correctness and multi-constraint adherence, SciIF enables finegrained diagnosis of compositional reasoning failures, ensuring that LLMs can function as reliable agents within the strict logical frameworks of science.

cs.AI↗

arXiv2025

FuncGenFoil: Airfoil Generation and Editing Model in Function Space

Aircraft manufacturing is the jewel in the crown of industry, in which generating high-fidelity airfoil geometries with controllable and editable representations remains a fundamental challenge. Existing deep learning methods, which typically rely on predefined parametric representations (e.g., Bézier) or discrete point sets, face an inherent trade-off between expressive power and resolution adaptability. To tackle this challenge, we introduce FuncGenFoil, a novel function-space generative model that directly reconstructs airfoil geometries as function curves. Our method inherits the advantages of arbitrary-resolution sampling and smoothness from parametric functions, as well as the strong expressiveness of discrete point-based representations. Empirical evaluations demonstrate that FuncGenFoil improves upon state-of-the-art methods in airfoil generation, achieving a relative 74.4% reduction in label error and a 23.2% increase in diversity on the AF-200K dataset. Our results highlight the advantages of function-space modeling for aerodynamic shape optimization, offering a powerful and flexible framework for high-fidelity airfoil design.

cs.LG↗

arXiv2025

LabUtopia: High-Fidelity Simulation and Hierarchical Benchmark for Scientific Embodied Agents

Scientific embodied agents play a crucial role in modern laboratories by automating complex experimental workflows. Compared to typical household environments, laboratory settings impose significantly higher demands on perception of physical-chemical transformations and long-horizon planning, making them an ideal testbed for advancing embodied intelligence. However, its development has been long hampered by the lack of suitable simulator and benchmarks. In this paper, we address this gap by introducing LabUtopia, a comprehensive simulation and benchmarking suite designed to facilitate the development of generalizable, reasoning-capable embodied agents in laboratory settings. Specifically, it integrates i) LabSim, a high-fidelity simulator supporting multi-physics and chemically meaningful interactions; ii) LabScene, a scalable procedural generator for diverse scientific scenes; and iii) LabBench, a hierarchical benchmark spanning five levels of complexity from atomic actions to long-horizon mobile manipulation. LabUtopia supports 30 distinct tasks and includes more than 200 scene and instrument assets, enabling large-scale training and principled evaluation in high-complexity environments. We demonstrate that LabUtopia offers a powerful platform for advancing the integration of perception, planning, and control in scientific-purpose agents and provides a rigorous testbed for exploring the practical capabilities and generalization limits of embodied intelligence in future research.

cs.RO↗

arXiv2025

Pretrained Reversible Generation as Unsupervised Visual Representation Learning

Recent generative models based on score matching and flow matching have significantly advanced generation tasks, but their potential in discriminative tasks remains underexplored. Previous approaches, such as generative classifiers, have not fully leveraged the capabilities of these models for discriminative tasks due to their intricate designs. We propose Pretrained Reversible Generation (PRG), which extracts unsupervised representations by reversing the generative process of a pretrained continuous generation model. PRG effectively reuses unsupervised generative models, leveraging their high capacity to serve as robust and generalizable feature extractors for downstream tasks. This framework enables the flexible selection of feature hierarchies tailored to specific downstream tasks. Our method consistently outperforms prior approaches across multiple benchmarks, achieving state-of-the-art performance among generative model based methods, including 78% top-1 accuracy on ImageNet at a resolution of 64*64. Extensive ablation studies, including out-of-distribution evaluations, further validate the effectiveness of our approach.PRG is available at https://github.com/opendilab/PRG.

cs.CV↗

arXiv2024

Revisiting Generative Policies: A Simpler Reinforcement Learning Algorithmic Perspective

Generative models, particularly diffusion models, have achieved remarkable success in density estimation for multimodal data, drawing significant interest from the reinforcement learning (RL) community, especially in policy modeling in continuous action spaces. However, existing works exhibit significant variations in training schemes and RL optimization objectives, and some methods are only applicable to diffusion models. In this study, we compare and analyze various generative policy training and deployment techniques, identifying and validating effective designs for generative policy algorithms. Specifically, we revisit existing training objectives and classify them into two categories, each linked to a simpler approach. The first approach, Generative Model Policy Optimization (GMPO), employs a native advantage-weighted regression formulation as the training objective, which is significantly simpler than previous methods. The second approach, Generative Model Policy Gradient (GMPG), offers a numerically stable implementation of the native policy gradient method. We introduce a standardized experimental framework named GenerativeRL. Our experiments demonstrate that the proposed methods achieve state-of-the-art performance on various offline-RL datasets, offering a unified and practical guideline for training and deploying generative policies.

cs.LG↗