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Zhe Zhao

Publications and source records attributed to Zhe Zhao.

At least 19 recordsLinked to original sources

Language-Informed Flow Matching for Trend-Guided Structure-Based 3D Molecular Generation

Structure-based drug design (SBDD) requires ligands that satisfy both 3D target affinity and 1D chemical validity. Existing controllable generation methods often rely on task-specific fine-tuning or externally imposed sampling-time guidance, adding cost and potentially conflicting with evolving 3D geometric constraints. We propose LiFT, a language-informed cross-modal framework built on Flow Matching for trend-guided 3D molecular generation across both de novo design and scaffold hopping. LiFT uses a "Sense-Evolve-Assemble" agent to generate target-aware SMILES as intermediate chemical conditions, from which a pre-trained chemical foundation model extracts continuous semantic priors. These priors are integrated into geometric generation through a lightweight semantic projector with zero-initialized adaptive normalization for stable cross-modal conditioning. We further introduce a Self-Conditioned Decoupled Router (SCDR), which modulates the velocity field according to intermediate structural states during ODE integration. Experiments on Cross-Docked2020 show that LiFT achieves competitive distribution matching while improving medicinal chemistry metrics and maintaining competitive structural validity under task-steering settings without additional generator fine-tuning. Our results suggest that language-derived chemical priors provide effective trend-level guidance for 3D molecular generation. Code and released artifacts are available at https://github.com/kasurl/LiFT.

cs.LG

UI-Venus-2 Technical Report

Multimodal GUI agents have emerged as a promising paradigm for digital task automation, yet transitioning from benchmark-oriented models to dependable real-world applications remains challenging due to limited environment coverage, brittle task construction, and unreliable reward verification. In this work, we present UI-Venus-2, a general-purpose foundation GUI agent designed to operate across mobile, web, and desktop environments through a unified closed-loop reasoning-action framework. To bridge the gap toward practical deployment, we jointly scale three critical dimensions: (1) Environments, expanding coverage to more than 170 multilingual mobile apps and native desktop operating systems; (2) Tasks, employing a deep-research pipeline for function-grounded instruction generation; and (3) Verification, adopting trace-level and sample-level evaluators with visual keypoints and multi-model voting to ensure reliable RL signals for training. Furthermore, we integrate safety-aware mechanisms to ensure controlled execution of consequential actions. By offering a capable, efficient, and open-source foundation, UI-Venus-2 advances the field toward more generalizable, verifiable, and self-reflective agents for real-world applications.

cs.AI

Recursive Experiential-Working Memory Evolution for Long-Horizon Agent Harnesses

Recursive self-improvement (RSI) remains hard in long-horizon tasks, where growing histories obscure the task state and misalign skill invocation. We introduce Recuris, a recursive Experiential-Working Memory architecture for long-horizon agent harnesses, in which Working Memory tracks task progress and guides skill selection from Experiential Memory, grounding skill use in current needs rather than the full history. This coupling also turns execution into structured evidence that localizes failures to specific memory components. Across tasks, a fixed Meta-Agent turns that evidence into localized, validation-gated updates to Skill Memory that reshape execution and yield new evidence, forming a bounded recursive memory-evolution loop. Across four long-horizon benchmarks and ten models, Recuris improves task success in 35 of the 37 completed model-benchmark pairs, carrying frontier models to SOTA-level task success: on tau-bench it adds +17.8 points to GPT-5.6 Sol and +15.6 to Claude Opus 5, taking Opus 5 to 87.9%, and +16.6/+13.5 points on Qwen3.6-27B/35B on SkillFlow. The advantage widens as the interaction horizon grows, to +32.2 points on the longest tasks, and common long-horizon failures fall by up to 80%. These results position recursively evolving memory as a scalable foundation for RSI, enabling agents to continuously transform accumulated experience into increasingly effective long-horizon behavior. Code: https://github.com/Gen-Verse/Recuris

cs.AI

DiDPO: Diff-in-Diff Policy Optimization for Coding Agent Training

Reinforcement learning with Verifiable Reward (RLVR) has emerged as a powerful paradigm for training coding agents, where the execution feedback from compilation and tests provides objective verification. However, unlike agent tasks, coding agents face a unique and finer-grained credit assignment challenge: at each step, coding actions simultaneously pack varying changes into different regions of a code version, which makes the contribution of independent change indistinguishable. Existing RLVR methods mostly leverage the outcome reward or step-level reward, which fails to dive into a code diff and makes unique properties of coding actions invisible to training. In this paper, we propose Diff-in-Diff Policy Optimization (DiDPO), a critic-free RL method that constructs fine-grained credit units directly from the structure of code diffs. DiDPO organizes multi-turn coding interactions into multiple thought--action steps and discovers code diffs across sampled trajectories. It then selects anchors by aggregating highly similar sub-diffs split from each whole diff by our ``groupability score'', which provides the splitting schema that optimally balances the semantic scope of anchors and the group mass they may form. Finally these anchors form advantage groups and project the diff-level advantage back to individual response tokens. Experiments on long-horizon coding and reasoning benchmarks show that DiDPO significantly outperforms strong agentic RL baselines. On Qwen2.5-7B-Coder, DiDPO exceeds comparable methods by over 10\% and narrows the gap with far larger models, offering a principled framework for fine-grained credit assignment in coding agent training. We also open-source verl-code, an agentic rl codebase that supports various RL methods and coding benchmarks.

cs.AI

Closing the Reality Gap: Zero-Shot Sim-to-Real Deployment for Dexterous Force-Based Grasping and Manipulation

Human-like dexterous hands with multiple fingers offer human-level manipulation capabilities but remain difficult to train the control policies that can deploy on real hardware due to contact-rich physics and imperfect actuation. We present a sim-to-real reinforcement learning method that leverages dense tactile feedback combined with joint torque sensing to explicitly regulate physical interactions. To enable effective sim-to-real transfer, we introduce (i) a computationally fast tactile simulation that computes distances between dense virtual tactile units and the object via parallel forward kinematics, providing high-rate, high-resolution touch signals needed by RL; (ii) a current-to-torque calibration that eliminates the need for torque sensors on dexterous hands by mapping motor current to joint torque; and (iii) actuator dynamics modeling with randomization to account for non-ideal torque-speed effects and bridge the actuation gaps. Using an asymmetric actor-critic PPO pipeline, we train policies entirely in simulation and deploy them directly to a five-finger hand. The resulting policies demonstrate two essential human-hand skills: (1) command-based controllable grasp force tracking and (2) reorientation of objects in the hand, both of which are robustly executed without fine-tuning on the robot. By combining tactile and torque in the observation space with scalable sensing and actuation modeling, our system provides a practical solution to achieve reliable dexterous manipulation. To our knowledge, this is the first demonstration of controllable grasping on a multi-finger dexterous hand trained entirely in simulation and transferred zero-shot on real hardware.

cs.RO

Evidence-Driven LLM Agent for C-to-Synthesizable-C Conversion and Verification

Software-compilable C programs routinely fail to complete the four-stage pipeline of a high-level synthesis (HLS) toolchain -- compilation, C simulation (CSim), synthesis, and C/RTL co-simulation (CoSim) -- because HLS accepts only a synthesizable subset of C (HLS-C). Yet most existing large language model (LLM) systems built for HLS code repair only cover the early pipeline stages and feed raw tool logs directly to the model, yielding brittle and hard-to-reproduce fixes. We formulate C-to-HLS-C conversion as a closed-loop generation-verification-diagnosis-repair problem on an HLS tool (Xilinx Vitis), contributing three components: an end-to-end workflow of cooperating agents closed by the four-stage verifier under strict evidence isolation; a Progressive Mismatch Localization Chain (PMLC) that localizes CSim/CoSim mismatches through log normalization, AST backward slicing, and dual-trace instrumentation; and a typed-query, two-stage evidence RAG backed by a self-evolving, family-routed repair-card pool. Experimental results show that the proposed workflow substantially outperforms all comparable state-of-the-art models.

cs.AR

Bridging Creative Intent and Visual Quality: Creator-Driven Recurrent Video Generation with Agentic Feedback Loops

Generative AI has made content creation increasingly accessible, but many AI-generated videos lack narrative coherence and creative direction, issues that become more substantial at longer durations. Unlike coding, where AI generation benefits from reliable feedback and techniques such as recurrent self-improvement, video generation requires subjective feedback about plot, scenes, and narrative, which naturally motivates approaches that incorporate human creative direction. We introduce CHIEF, a human-AI co-creation video generation framework that places the creator at the center of human-in-the-loop iterative video refinement, and supports them by providing automatic subjective feedback. The creator incorporates their creative direction by driving each iteration, while their revisions are incorporated by a specialized refiner agent. The feedback loop is generated by persona-conditioned multimodal LLMs that watch generated videos and produce subjective critique from the audience perspectives, providing feedback that self-evaluation alone cannot capture. To test the effectiveness of our proposed framework, we work with high school and college students with no prior filmmaking experience to create videos, from short 1-minute videos to a complete short 10-minute film with a complicated plot.

cs.CV

Shift-Left High-Level Synthesis Verification via Knowledge-Augmented LLM Agent

High-Level Synthesis (HLS) relies on transforming original C specifications into synthesizable HLS-oriented C (HLS-C) implementations. Functional consistency verification between original C specifications and HLS-C implementations is a critical yet labor-intensive task in HLS design flows. While Large Language Models (LLMs) have recently shown promise in automated testbench generation, their stochastic nature often leads to insufficient coverage, inconsistent verification environments, and unreliable equivalence checking results. To address these limitations, we propose a knowledge-augmented, agent-driven shift-left verification framework for automated functional consistency checking between original C and HLS-C implementations before synthesis. The framework introduces a Dual-Tier Consistency Checking mechanism that jointly enforces static structural alignment and dynamic behavioral equivalence between paired testbenches, while integrating symbolic execution and coverage-driven refinement to improve verification completeness. Furthermore, we construct a heterogeneous HLS Verification Knowledge Graph to provide topology-aware reasoning priors for testbench generation, and design an autonomous verification agent to orchestrate iterative refinement and failure diagnosis across heterogeneous toolchains. Experimental results on 107 HLS benchmark pairs demonstrate that the proposed framework achieves 0.9826 average coverage and 0.9533 dynamic consistency, outperforming representative AST-based, retrieval-augmented, and iterative agent-based baselines. https://github.com/cz-5f/HLS-LeVeri.git

cs.AR

Leveraging Metric Depth for Relative Depth Prediction

We present our solution to the 2025 SoccerNet Monocular Depth Estimation Competition Challenge. Predicting the relative depth in football scenarios is challenging, especially with only thousands of training samples available. To address this issue, our method leverages the powerful zero-shot capabilities of models pretrained on large-scale datasets to learn metric depth for effective relative depth prediction, achieving a score of $2.68 \times 10^{-3}$ on the challenge set.

cs.CV

Training Prompt Matters: State-Adaptive Optimization for Robust Fine-Tuning

While prompt engineering is instrumental in maximizing the capabilities of Large Language Models (LLMs) during inference, the role of prompts during training remains critically underexplored. Prevailing fine-tuning paradigms typically treat training prompts as mere surface forms, assuming that semantically equivalent instructions yield identical learning outcomes. However, we reveal that this equivalence is deceptive: while paraphrased prompts often lead to comparable in-task performance, they induce drastically different cross-task impacts regarding catastrophic forgetting and generalization. Crucially, these impacts are positively correlated across tasks, indicating the existence of superior prompts that consistently yield better performance. Furthermore, we discover that these superior prompts can be robustly identified by task loss prior to learning. Leveraging these insights, we introduce State-Adaptive Prompt Optimization (SAPO), a lightweight yet effective training strategy that shifts task formulation from a static input to a dynamic, state-adaptive variable. Comprehensive experiments on diverse benchmarks confirm its effectiveness, which significantly mitigates forgetting while improving generalization, achieving substantial performance gains over state-of-the-art methods. These results provide insights into how training prompts shape learning dynamics and offer a practical recipe for robust fine-tuning. Our code is available at https://github.com/Eric8932/SAPO.

cs.CL

Scaling Agentic Capabilities via Grounded Interaction Synthesis

General agentic intelligence hinges on the ability to interact with diverse real-world tools to complete complex tasks, a capability fundamentally tied to the quality of interaction data. To bypass the prohibitive costs of human annotation, prevailing paradigms depend entirely on Large Language Models (LLMs) to scale the synthesis of agentic environments and tasks. However, such unconstrained generation often degenerates into biased random sampling of LLMs' internal priors, failing to capture the diversity and difficulty of real-world domains or construct high-fidelity, long-horizon tasks. In this work, we introduce Grounded Agentic Interaction Synthesis (GAIS), a framework that automates the scalable construction of diverse environments and complex tasks via a two-phase grounding mechanism. Specifically, we construct protocol-anchored environments derived from real-world Model Context Protocol (MCP) servers to ensure functional diversity and difficulty. Subsequently, we employ structure-guided planning to navigate these environments, actively enforcing logical dependencies and adversarial policies to generate complex tasks. Experiments on BFCL, $\tau^2$-Bench, and ACEBench demonstrate that GAIS-synthesized data significantly outperforms state-of-the-art baselines, enabling base models to match or even surpass their official instruction-tuned counterparts. Furthermore, GAIS exhibits superior data efficiency and scalability, achieving exceptional capabilities with significantly less data while maintaining continuous growth where baselines stagnate. Our code and dataset are publicly available at https://github.com/Eric8932/GAIS.

cs.CL

Science Earth: Towards A Planet-Scale Operating System for AI-Native Scientific Discovery

Scientific discovery demands intelligence, perseverance, and serendipity across vast search spaces. Today, top scientific capabilities remain siloed--one AI system for biological analysis, another for clinical reasoning, mathematical derivation, or materials simulation--and no pre-designed team can anticipate every skill a question will need. Science Earth is a planet-scale scientific runtime in which any capability--a simulation cluster, a wet-lab robot, a proof engine, a single-cell pipeline--can connect to any other, with collaboration structure emerging from the question itself. Its underlying EACN protocol lets capabilities discover one another, negotiate task ownership, and adjudicate across incompatible evidentiary standards without prior knowledge of who will meet whom. This shifts the organizing challenge from workflow design to open-ended connectivity. Two runs validate this under structurally distinct conditions. In a trans-Pacific higher-order Kuramoto synchronization study, agents identified and corrected a closure-ratio assumption in Ott-Antonsen analytic theory that fails outside the Lorentzian limit, within thirty minutes. In an eight-agent single-cell run on the 4.88M-cell Kang 2024 pan-cancer atlas, heterogeneous capabilities coupled over a 64.9-hour window with one structural external instruction, producing three new result layers and anchoring findings against an independent wet-lab study on an adjacent CCR8- TIGIT+ Treg subset. These cases are a first empirical reading, not a benchmark sweep. They show that when AI capabilities are truly connectable and coordination emerges from the problem, scientific reasoning becomes a distributed, self-correcting process--a step towards scaling AI-native discovery to the planet.

cs.AI

Triaging Threats to Specialized Guardrails

Building robust safety guardrails is essential for deploying Large Language Models across diverse real-world applications. However, this goal remains challenging because safety risks span heterogeneous threat domains, while existing datasets cover only fragmented risk subsets and rely on inconsistent taxonomies. Consequently, it remains unclear whether current guardrails can generalize beyond narrow evaluation settings. To better understand the robustness of guardrail models, we first introduce GuardZoo, a unified human-annotated benchmark with 32,460 samples covering 15 distinct unsafe categories. Evaluation on GuardZoo reveals that monolithic guardrails suffer from task interference: different threat domains require distinct decision boundaries that are difficult to compress into a single model. We therefore propose RouteGuard, a router-expert framework that triages each conversation to specialized expert guardrails for threat-specific detection. Experiments show that RouteGuard improves fine-grained threat detection over strong guardrail baselines, generalizes better under out-of-domain evaluation, and supports flexible modular expansion to emerging threats.

cs.CR

FedMPT: Federated Multi-label Prompt Tuning of Vision-Language Models

Multi-Label Recognition (MLR) based on Vision-Language Models (VLMs) aims to leverage their pre-trained knowledge to better adapt complex recognition scenarios, thereby enhancing model robustness. However, for realistic decentralized applications requiring federated learning, adapting VLMs to each client that possesses private and heterogeneous data can cause the model to overfit spurious label correlations, consequently triggering irrelevant categories when encountering new samples. To tackle this problem, we reconsider the federated learning for MLR with a causal model, in which we adopt a front-door adjustment and decouple the MLR modeling process by intermediate variables that magnify the oracle label co-occurrence. Guided by our analysis, we propose our FedMPT, the first method specifically designed for federated MLR. The core idea of FedMPT is to leverage generalizable conditions to steer federated MLR to mitigate erroneous label activations. To achieve this, FedMPT introduces an Large Language Model (LLM)-driven pipeline to decipher the underlying conditions that govern label dependencies. Furthermore, we introduce an optimal transport between the condition-enriched prompts and the image patches to uncover multiple region-level semantics. Finally, we generate synergistic predictions from different conditions with a crafted gating mechanism. Experiments on multiple benchmark datasets show that our proposed approach achieves competitive results and outperforms SOTA methods under varied settings.

cs.AI

AQuaUI: Visual Token Reduction for GUI Agents with Adaptive Quadtrees

Large Multimodal Models (LMMs) have recently emerged as promising backbones for GUI-agent models, where high-resolution GUI screenshots are introduced to the prompts at each iteration step. However, these screenshots exhibit highly non-uniform spatial information density: large regions may carry little information and are visually homogeneous, while key text and icons may require high visual fidelity. Existing approaches to this problem either require additional training or rely on attention-based token compression, ignoring the structured layout and spatial redundancy of GUI screenshots. To fill the gap, this paper proposes AquaUI, a training-free inference-time token reduction method for GUI agent models that utilizes the non-uniform information density in screenshots. AQuaUI constructs an adaptive quadtree on each screenshot input and keeps one representative merged token per leaf of the quadtree. AQuaUI preserves the spatial positions of retained tokens throughout the pipeline to ensure that all position-encoding stages remain consistent. To further improve temporal consistency across multi-step GUI interactions, we propose a conditional quadtree algorithm that leverages the continuity between consecutive screenshots within a single request. Specifically, it refines the current quadtree using previous quadtrees as references, helping preserve fine-grained regions across static or mildly shifted GUI states. We implement AQuaUI on state-of-the-art GUI agent models and conduct experiments on standard grounding and navigational benchmarks. AQuaUI consistently shows improved accuracy-efficiency trade-offs over prior baselines. Notably, on GUI-Owl-1.5-32B-Instruct, AQuaUI achieves up to 13.22% speedup and 29.52% fewer visual tokens while retaining 99.06% of full-token performance, suggesting that the spatial redundancy of GUI screenshots can be exploited at inference without retraining.

cs.AI

ModelLens: Finding the Best for Your Task from Myriads of Models

The open-source model ecosystem now contains hundreds of thousands of pretrained models, yet picking the best model for a new dataset is increasingly infeasible: new models and unbenchmarked datasets emerge continuously, leaving practitioners with no prior records on either side. Existing approaches handle only fragments of this in-the-wild setting: AutoML and transferability estimation select models from small predefined pools or require expensive per-model forward passes on the target dataset, while model routing presupposes a given candidate pool. We introduce ModelLens, a unified framework for model recommendation in the wild. Our key insight is that public leaderboard interactions, though scattered and noisy, collectively trace out an implicit atlas of model capabilities across heterogeneous evaluation settings, a signal rich enough to learn from directly. By learning a performance-aware latent space over model--dataset--metric tuples, ModelLens ranks unseen models on unseen datasets without running candidates on the target dataset. On a new benchmark of 1.62M evaluation records spanning 47K models and 9.6K datasets, ModelLens surpasses baselines that either rely on metadata alone or require running each candidate on the target dataset. Its recommended Top-K pools further improve multiple representative routing methods by up to 81% across diverse QA benchmarks. Case studies on recently released benchmarks further confirm generalization to both text and vision-language tasks.

cs.LG

From Memorization to Creation: Evaluating the Cognitive Depth of LLM-Generated Educational Questions

While LLMs show promise in automating educational content creation, their ability to generate questions that stimulate higher-order thinking remains understudied. This work evaluates six widely-used LLMs through a Bloom's Taxonomy lens, focusing on their capacity to transcend rote memorization and achieve cognitive leaps. Using a hybrid human--AI evaluation protocol, we generate and analyze 20{,}700 questions across computer science, K--12 math, and social-science domains. Key contributions include: (1) a fine-grained prompting strategy that reduces question repetitiveness by 24.45\% for Qwen2.5-7B-Instruct, and increases the proportion of higher-order cognitive level outputs by 11.53\% for InternLM3-8B-Instruct; (2) quantitative metrics for cognitive shift intensity (CogShift) and category drift, revealing InternLM3's superior performance in multi-level transitions; (3) an interpretability analysis revealing metric-level correlations that enhance the transparency of Chain-of-Thought prompting. Our findings highlight the importance of cognitive-aware prompt design and provide benchmarks for deploying LLMs in personalized learning systems.

cs.HC

Acausal exact vacuum solutions in nonlocal gravity

Nonlocal gravity is a promising super-renormalizable or finite quantum gravity theory consistent with unitarity. In this paper, we focus on the classical equations of motion and explicitly show that a particular subclass of G\"{o}del-type Universes, where closed time-like curves are allowed, is an exact solution of nonlocal gravity in vacuum. The result is consistent with a well defined theory at quantum level, but it is realized only with a special, although large, class of nonlocal form factors. Therefore, by itself the renormalizability requirement is not a sufficient guiding principle in vacuum whether we want to avoid the causality violation. From the physical point of view, the causality violation takes place from the non locality fundamental scale to macroscopic scales. Therefore, it is the presence of matter to break the classical degeneracy between the Minkowski and the G\"{o}del Universe. Finally, we have shown that at the non-perturbative quantum level the transition from a flat to a G\"{o}del Universe is ridiculously small.

gr-qc