arXiv subjects

Guoqing Liu

Publications and source records attributed to Guoqing Liu.

At least 19 recordsLinked to original sources

arXiv2026

Evaluating the Diversity of AI-Generated Content with Diversity Profiles

Diversity is a fundamental criterion for evaluating generative artificial intelligence (AI) systems, yet its measurement remains inherently ambiguous. Existing approaches typically represent generated samples in an embedding space, compute pairwise distances or similarities, and aggregate them into a single scalar score. Such scalar summaries are convenient, but they often encode different inductive biases and may yield contradictory rankings of the same sample sets. In this paper, we argue that diversity evaluation for AI-generated content is intrinsically under-specified when reduced to a single number. We first review representative diversity metrics, and then diagnose their limitations from two complementary perspectives: an axiomatic analysis showing that no representative scalar metric satisfies all desirable properties simultaneously, and an empirical analysis showing that high-dimensional representation spaces can induce concentrated, modality-dependent distance distributions. To address these issues, we propose diversity profiles: curve-valued, condition-aware summaries that evaluate a parameterized diversity family across a range of thresholds, scales, exponents, or orders under a specified representation and distance or kernel function. Diversity profiles reveal whether a comparison is robust across resolutions or instead depends on an arbitrary parameter choice. We instantiate profiles for several representative metric families and demonstrate their practical use in generative AI evaluation. Overall, diversity profiles provide a more transparent and resolution-aware framework for comparing the diversity of AI-generated content.

cs.AI↗

arXiv2026

Focal-point scanning for dose delivery and optimization with focused laser-accelerated very-high-energy electron beams

Focused very-high-energy electron (VHEE) beams can produce localized dose enhancement at selected depths, but irradiation of a finite target requires coordinated control of multiple focal positions, incidence directions, and beam weights while limiting exposure of nearby organs at risk (OARs). We present Focal-Point Scanning (FPS), a dose delivery and optimization method developed for laser wakefield accelerator (LWFA)-driven VHEE beams. The method is based on a two-dipole focusing system that produces single-plane beam convergence and allows the focal position to be varied by changing the magnetic field strength. FPS distributes focal points throughout the planning target volume and determines focal-point-specific incidence sectors according to the geometry of nearby critical OARs. The method was evaluated using the AAPM TG119 C-shape benchmark and one previously treated lung radiotherapy case. At matched target coverage, FPS reduced the TG119 Core mean dose by approximately one half relative to parallel VHEE and intensity-modulated x-ray plans, approaching the single-field proton pencil-beam-scanning reference. In the lung case, FPS maintained target coverage comparable to the clinical volumetric modulated arc therapy reference while reducing the mean dose to every evaluated OAR; spinal-cord mean and maximum doses decreased by 93.2% and 87.2%, respectively. The evaluated OAR mean doses varied little across rms energy spreads of 0 to 10% and for a flat-top electron spectrum spanning 150 to 250 MeV. These results demonstrate that focal-point-specific angular selection can translate focused-beam physics into effective OAR sparing and support FPS as a planning strategy for broadband LWFA-VHEE radiotherapy.

physics.med-ph↗

arXiv2026

Visual Geometry Foundation-Aware Gaussians for Single-Frame Surround-View Driving Reconstruction

Single-frame surround-view reconstruction faces severe geometric instability and rendering artifacts due to minimal inter-camera overlap. While existing methods rely on complex decoders or auxiliary cues, they remain bottlenecked by the weak geometric capacity of upstream features. We argue that leveraging pretrained visual geometry priors strengthens upstream representations and alleviates the geometric ambiguity in sparse surround views. To this end, we propose VGGD, a visual geometry foundation-aware 3D Gaussian Splatting framework for feed-forward surround-view driving reconstruction, which shifts geometric modeling to the frontend and adapts foundation priors to the driving camera setting. First, VGGD leverages VGGT to provide transferable multi-view geometric prior tokens. Next, we introduce a Dual-Path Neck to decouple geometry-consistent and appearance-aware representations, improving appearance completion in weakly observed regions. We further apply Scale Warmup to stabilize early geometry learning and suppress scale drift under ego-pose changes. Finally, we use a hybrid pixel--volume Gaussian decoder to produce a renderable 3D Gaussian scene for novel-view synthesis. Experiments on the nuScenes single-frame benchmark show that VGGD achieves the best overall rendering quality among the compared methods and improves relative geometric consistency.

cs.CV↗

arXiv2026

ABot-N1: Toward a General Visual Language Navigation Foundation Model

Visual Language Navigation foundation models aim to unify deep reasoning for grounded spatial decisions with broad versatility for diverse embodied tasks. Current approaches typically achieve this integration via monolithic policies that map observations directly to actions, yet they often suffer from coordinate drift and poor handling of long-tail semantics. Furthermore, these black-box mappings lack interpretability, hindering the simultaneous achievement of generality, robustness, and transparency. We present ABot-N1, a step toward a general Visual Language Navigation foundation model, that addresses these challenges by decoupling cognition from control via a slow-fast architecture guided by dual visual-language signals. More specifically, a slow vision-language reasoner performs explicit Chain-of-Thought reasoning while producing a pixel goal. This compact set of image-space anchor points serves as a universal interface for diverse tasks, including point-goal, object-goal, poi-goal, instruction-following, and person-following. Subsequently, a fast action expert leverages both the textual cues and the pixel guidance to generate continuous waypoints at the native control frequency. By bridging high-level intents and low-level control through pixel-grounded anchors paired with explicit linguistic traces, our approach ensures robust, generalizable, and interpretable navigation across simulation and real-world benchmarks. ABot-N1 establishes new state-of-the-art records, delivering massive gains specifically in urban-scale navigation: boosting POI arrival by 35.0% (to 77.3%) and achieving 95.4%/92.9% SR in complex indoor and outdoor scenes. It also maintains superior robustness across object-reaching, person-following, and instruction-following tasks. New Point-Goal/POI-Goal benchmarks are released as open source to advance the field of urban-scale navigation.

cs.CV↗

arXiv2026

ABot-Claw: A Foundation for Persistent, Cooperative, and Self-Evolving Robotic Agents

Current embodied intelligent systems still face a substantial gap between high-level reasoning and low-level physical execution in open-world environments. Although Vision-Language-Action (VLA) models provide strong perception and intuitive responses, their open-loop nature limits long-horizon performance. Agents incorporating System 2 cognitive mechanisms improve planning, but usually operate in closed sandboxes with predefined toolkits and limited real-system control. OpenClaw provides a localized runtime with full system privileges, but lacks the embodied control architecture required for long-duration, multi-robot execution. We therefore propose ABot-Claw, an embodied extension of OpenClaw that integrates: 1) a unified embodiment interface with capability-driven scheduling for heterogeneous robot coordination; 2) a visual-centric cross-embodiment multimodal memory for persistent context retention and grounded retrieval; and 3) a critic-based closed-loop feedback mechanism with a generalist reward model for online progress evaluation, local correction, and replanning. With a decoupled architecture spanning the OpenClaw layer, shared service layer, and robot embodiment layer, ABot-Claw enables real-world interaction, closes the loop from natural language intent to physical action, and supports progressively self-evolving robotic agents in open, dynamic environments.

cs.CV↗

arXiv2026

Three-stage melting of a macroscopic continuous spacetime crystal

A spacetime crystal is a phase of matter that spontaneously develops periodic order in both space and time. Spacetime crystals have been experimentally observed in microscopic quantum many-body systems and, very recently, in a mesoscopic nematic liquid crystal. However, the melting process of a spacetime crystal and its underlying physical mechanisms have not yet been experimentally reported. Here, we present a direct observation of a classical continuous spacetime crystal melting in a table-top experiment with macroscopic active granular disks in 2+1 spacetime dimensions. The spacetime crystal is characterized by the spontaneous formation of a coherent, rigid-body rotation of a 2D triangular lattice that persists for almost a day and remains remarkably robust to noise. By tuning the disk packing fraction, we observe a complex three-stage melting process involving a spatially hexatic phase and multiple coexistence regions. Importantly, we show that spatial and temporal crystalline orders melt separately through distinct mechanisms: spatial order is destroyed by the proliferation of topological defects, while temporal order is lost through the decay of directional persistence caused by the progressive weakening of many-body interactions. Our results demonstrate that the spontaneous breaking of spatial and temporal translational symmetries can be decoupled, leading to the emergence of exotic out-of-equilibrium classical phases of matter.

cond-mat.soft↗

arXiv2026

ABot-N0: Technical Report on the VLA Foundation Model for Versatile Embodied Navigation

Embodied navigation has long been fragmented by task-specific architectures. We introduce ABot-N0, a unified Vision-Language-Action (VLA) foundation model that achieves a ``Grand Unification'' across 5 core tasks: Point-Goal, Object-Goal, Instruction-Following, POI-Goal, and Person-Following. ABot-N0 utilizes a hierarchical ``Brain-Action'' architecture, pairing an LLM-based Cognitive Brain for semantic reasoning with a Flow Matching-based Action Expert for precise, continuous trajectory generation. To support large-scale learning, we developed the ABot-N0 Data Engine, curating 16.9M expert trajectories and 5.0M reasoning samples across 7,802 high-fidelity 3D scenes (10.7 $\text{km}^2$). ABot-N0 achieves new SOTA performance across 7 benchmarks, significantly outperforming specialized models. Furthermore, our Agentic Navigation System integrates a planner with hierarchical topological memory, enabling robust, long-horizon missions in dynamic real-world environments.

cs.RO↗

arXiv2025

A Scientific Reasoning Model for Organic Synthesis Procedure Generation

Solving computer-aided synthesis planning is essential for enabling fully automated, robot-assisted synthesis workflows and improving the efficiency of drug discovery. A key challenge, however, is bridging the gap between computational route design and practical laboratory execution, particularly the accurate prediction of viable experimental procedures for each synthesis step. In this work, we present QFANG, a scientific reasoning language model capable of generating precise, structured experimental procedures directly from reaction equations, with explicit chain-of-thought reasoning. To develop QFANG, we curated a high-quality dataset comprising 905,990 chemical reactions paired with structured action sequences, extracted and processed from patent literature using large language models. We introduce a Chemistry-Guided Reasoning (CGR) framework that produces chain-of-thought data grounded in chemical knowledge at scale. The model subsequently undergoes supervised fine-tuning to elicit complex chemistry reasoning. Finally, we apply Reinforcement Learning from Verifiable Rewards (RLVR) to further enhance procedural accuracy. Experimental results demonstrate that QFANG outperforms advanced general-purpose reasoning models and nearest-neighbor retrieval baselines, measured by traditional NLP similarity metrics and a chemically aware evaluator using an LLM-as-a-judge. Moreover, QFANG generalizes to certain out-of-domain reaction classes and adapts to variations in laboratory conditions and user-specific constraints. We believe that QFANG's ability to generate high-quality synthesis procedures represents an important step toward bridging the gap between computational synthesis planning and fully automated laboratory synthesis.

cs.LG↗

arXiv2025

Evolving LLMs' Self-Refinement Capability via Synergistic Training-Inference Optimization

Self-Refinement refers to a model's ability to revise its own responses to produce improved outputs. This capability can also serve as a fundamental mechanism for Self-Improvement, for example, by reconstructing datasets with refined results to enhance intrinsic model performance. However, our comprehensive experiments reveal that large language models (LLMs) show no clear evidence of inherent Self-Refinement and may even experience response quality degradation after Self-Refinement. To address this issue, we propose EVOLVE, a simple and effective framework for eliciting and tracking the evolution of Self-Refinement through iterative training. We first explore optimization methods during training to activate the model's Self-Refinement capability. Then, at inference, we investigate various generation strategies to further enhance and utilize Self-Refinement while supplying the necessary data for training. Through synergistic optimization of training and inference stages, we continually evolve the model's Self-Refinement ability, enabling it to better refine its own responses. Moreover, we demonstrate the potential of leveraging Self-Refinement to achieve broader Self-Improvement of intrinsic model abilities. Experiments show that the evolved Self-Refinement ability enables the Llama-3.1-8B base model to surpass GPT-4o, achieving 62.3% length-controlled and 63.3% raw win rates on AlpacaEval 2, and 50.3% on Arena-Hard. It also generalizes effectively to out-of-domain reasoning tasks, improving performance on mathematical reasoning benchmarks such as GSM8K and MATH.

cs.CL↗

arXiv2025

UniGenX: a unified generative foundation model that couples sequence, structure and function to accelerate scientific design across proteins, molecules and materials

Function in natural systems arises from one-dimensional sequences forming three-dimensional structures with specific properties. However, current generative models suffer from critical limitations: training objectives seldom target function directly, discrete sequences and continuous coordinates are optimized in isolation, and conformational ensembles are under-modeled. We present UniGenX, a unified generative foundation model that addresses these gaps by co-generating sequences and coordinates under direct functional and property objectives across proteins, molecules, and materials. UniGenX represents heterogeneous inputs as a mixed stream of symbolic and numeric tokens, where a decoder-only autoregressive transformer provides global context and a conditional diffusion head generates numeric fields steered by task-specific tokens. Besides the new high SOTAs on structure prediction tasks, the model demonstrates state-of-the-art or competitive performance for the function-aware generation across domains: in materials, it achieves "conflicted" multi-property conditional generation, yielding 436 crystal candidates meeting triple constraints, including 11 with novel compositions; in chemistry, it sets new benchmarks on five property targets and conformer ensemble generation on GEOM; and in biology, it improves success in modeling protein induced fit (RMSD < 2 Å) by over 23-fold and enhances EC-conditioned enzyme design. Ablation studies and cross-domain transfer substantiate the benefits of joint discrete-continuous training, establishing UniGenX as a significant advance from prediction to controllable, function-aware generation.

cs.LG↗

arXiv2025

Chemist-aligned retrosynthesis by ensembling diverse inductive bias models

Chemical synthesis remains a critical bottleneck in the discovery and manufacture of functional small molecules. AI-based synthesis planning models could be a potential remedy to find effective syntheses, and have made progress in recent years. However, they still struggle with less frequent, yet critical reactions for synthetic strategy, as well as hallucinated, incorrect predictions. This hampers multi-step search algorithms that rely on models, and leads to misalignment with chemists' expectations. Here we propose RetroChimera: a frontier retrosynthesis model, built upon two newly developed components with complementary inductive biases, which we fuse together using a new framework for integrating predictions from multiple sources via a learning-based ensembling strategy. Through experiments across several orders of magnitude in data scale and splitting strategy, we show RetroChimera outperforms all major models by a large margin, demonstrating robustness outside the training data, as well as for the first time the ability to learn from even a very small number of examples per reaction class. Moreover, industrial organic chemists prefer predictions from RetroChimera over the reactions it was trained on in terms of quality, revealing high levels of alignment. Finally, we demonstrate zero-shot transfer to an internal dataset from a major pharmaceutical company, showing robust generalization under distribution shift. With the new dimension that our ensembling framework unlocks, we anticipate further acceleration in the development of even more accurate models.

cs.LG↗

arXiv2025

Proactive Constrained Policy Optimization with Preemptive Penalty

Safe Reinforcement Learning (RL) often faces significant issues such as constraint violations and instability, necessitating the use of constrained policy optimization, which seeks optimal policies while ensuring adherence to specific constraints like safety. Typically, constrained optimization problems are addressed by the Lagrangian method, a post-violation remedial approach that may result in oscillations and overshoots. Motivated by this, we propose a novel method named Proactive Constrained Policy Optimization (PCPO) that incorporates a preemptive penalty mechanism. This mechanism integrates barrier items into the objective function as the policy nears the boundary, imposing a cost. Meanwhile, we introduce a constraint-aware intrinsic reward to guide boundary-aware exploration, which is activated only when the policy approaches the constraint boundary. We establish theoretical upper and lower bounds for the duality gap and the performance of the PCPO update, shedding light on the method's convergence characteristics. Additionally, to enhance the optimization performance, we adopt a policy iteration approach. An interesting finding is that PCPO demonstrates significant stability in experiments. Experimental results indicate that the PCPO framework provides a robust solution for policy optimization under constraints, with important implications for future research and practical applications.

cs.LG↗

arXiv2025

Nature Language Model: Deciphering the Language of Nature for Scientific Discovery

Foundation models have revolutionized natural language processing and artificial intelligence, significantly enhancing how machines comprehend and generate human languages. Inspired by the success of these foundation models, researchers have developed foundation models for individual scientific domains, including small molecules, materials, proteins, DNA, RNA and even cells. However, these models are typically trained in isolation, lacking the ability to integrate across different scientific domains. Recognizing that entities within these domains can all be represented as sequences, which together form the "language of nature", we introduce Nature Language Model (NatureLM), a sequence-based science foundation model designed for scientific discovery. Pre-trained with data from multiple scientific domains, NatureLM offers a unified, versatile model that enables various applications including: (i) generating and optimizing small molecules, proteins, RNA, and materials using text instructions; (ii) cross-domain generation/design, such as protein-to-molecule and protein-to-RNA generation; and (iii) top performance across different domains, matching or surpassing state-of-the-art specialist models. NatureLM offers a promising generalist approach for various scientific tasks, including drug discovery (hit generation/optimization, ADMET optimization, synthesis), novel material design, and the development of therapeutic proteins or nucleotides. We have developed NatureLM models in different sizes (1 billion, 8 billion, and 46.7 billion parameters) and observed a clear improvement in performance as the model size increases.

cs.AI↗

arXiv2025

Trust Region Preference Approximation: A simple and stable reinforcement learning algorithm for LLM reasoning

Recently, Large Language Models (LLMs) have rapidly evolved, approaching Artificial General Intelligence (AGI) while benefiting from large-scale reinforcement learning to enhance Human Alignment (HA) and Reasoning. Recent reward-based optimization algorithms, such as Proximal Policy Optimization (PPO) and Group Relative Policy Optimization (GRPO) have achieved significant performance on reasoning tasks, whereas preference-based optimization algorithms such as Direct Preference Optimization (DPO) significantly improve the performance of LLMs on human alignment. However, despite the strong performance of reward-based optimization methods in alignment tasks , they remain vulnerable to reward hacking. Furthermore, preference-based algorithms (such as Online DPO) haven't yet matched the performance of reward-based optimization algorithms (like PPO) on reasoning tasks, making their exploration in this specific area still a worthwhile pursuit. Motivated by these challenges, we propose the Trust Region Preference Approximation (TRPA) algorithm, which integrates rule-based optimization with preference-based optimization for reasoning tasks. As a preference-based algorithm, TRPA naturally eliminates the reward hacking issue. TRPA constructs preference levels using predefined rules, forms corresponding preference pairs, and leverages a novel optimization algorithm for RL training with a theoretical monotonic improvement guarantee. Experimental results demonstrate that TRPA not only achieves competitive performance on reasoning tasks but also exhibits robust stability. The code of this paper are released and updating on https://github.com/XueruiSu/Trust-Region-Preference-Approximation.git.

cs.LG↗

arXiv2025

Stochasticity-aware No-Reference Point Cloud Quality Assessment

The evolution of point cloud processing algorithms necessitates an accurate assessment for their quality. Previous works consistently regard point cloud quality assessment (PCQA) as a MOS regression problem and devise a deterministic mapping, ignoring the stochasticity in generating MOS from subjective tests. This work presents the first probabilistic architecture for no-reference PCQA, motivated by the labeling process of existing datasets. The proposed method can model the quality judging stochasticity of subjects through a tailored conditional variational autoencoder (CVAE) and produces multiple intermediate quality ratings. These intermediate ratings simulate the judgments from different subjects and are then integrated into an accurate quality prediction, mimicking the generation process of a ground truth MOS. Specifically, our method incorporates a Prior Module, a Posterior Module, and a Quality Rating Generator, where the former two modules are introduced to model the judging stochasticity in subjective tests, while the latter is developed to generate diverse quality ratings. Extensive experiments indicate that our approach outperforms previous cutting-edge methods by a large margin and exhibits gratifying cross-dataset robustness. Codes are available at https://git.openi.org.cn/OpenPointCloud/nrpcqa.

cs.CV↗

arXiv2025

Token-Importance Guided Direct Preference Optimization

Aligning Large Language Models (LLMs) with human preferences is crucial for safe and effective AI interactions. While popular methods like Direct Preference Optimization (DPO) have simplified alignment, they remain sensitive to data noise and overlook the differential importance of individual tokens. Existing token-level approaches often rely on probability prediction or simplistic weighting schemes to obtain token importance, which still cannot fully address these issues. To solve this problem, we propose the Token-Importance Guided Direct Preference Optimization (TI-DPO), a framework that achieves fine-grained semantic control through two synergistic innovations. First, we propose a novel hybrid weighting mechanism that combines gradient attribution with a Gaussian prior, ensuring both the accuracy and robustness of token importance scores. Second, we employ a triplet loss to provide structured guidance for the optimization, explicitly guiding model outputs to approach preferred responses and diverge from non-preferred ones. Experimental results show that TI-DPO achieves higher accuracy and stronger generative diversity, providing more stable and computationally efficient solutions compared with DPO and other RLHF methods.

cs.AI↗

arXiv2025

EvoPrompt: Connecting LLMs with Evolutionary Algorithms Yields Powerful Prompt Optimizers

Large Language Models (LLMs) excel in various tasks, but they rely on carefully crafted prompts that often demand substantial human effort. To automate this process, in this paper, we propose a novel framework for discrete prompt optimization, called EvoPrompt, which borrows the idea of evolutionary algorithms (EAs) as they exhibit good performance and fast convergence. To enable EAs to work on discrete prompts, which are natural language expressions that need to be coherent and human-readable, we connect LLMs with EAs. This approach allows us to simultaneously leverage the powerful language processing capabilities of LLMs and the efficient optimization performance of EAs. Specifically, abstaining from any gradients or parameters, EvoPrompt starts from a population of prompts and iteratively generates new prompts with LLMs based on the evolutionary operators, improving the population based on the development set. We optimize prompts for both closed- and open-source LLMs including GPT-3.5 and Alpaca, on 31 datasets covering language understanding, generation tasks, as well as BIG-Bench Hard (BBH) tasks. EvoPrompt significantly outperforms human-engineered prompts and existing methods for automatic prompt generation (e.g., up to 25% on BBH). Furthermore, EvoPrompt demonstrates that connecting LLMs with EAs creates synergies, which could inspire further research on the combination of LLMs and conventional algorithms.

cs.CL↗

arXiv2025

TransDiffSBDD: Causality-Aware Multi-Modal Structure-Based Drug Design

Structure-based drug design (SBDD) is a critical task in drug discovery, requiring the generation of molecular information across two distinct modalities: discrete molecular graphs and continuous 3D coordinates. However, existing SBDD methods often overlook two key challenges: (1) the multi-modal nature of this task and (2) the causal relationship between these modalities, limiting their plausibility and performance. To address both challenges, we propose TransDiffSBDD, an integrated framework combining autoregressive transformers and diffusion models for SBDD. Specifically, the autoregressive transformer models discrete molecular information, while the diffusion model samples continuous distributions, effectively resolving the first challenge. To address the second challenge, we design a hybrid-modal sequence for protein-ligand complexes that explicitly respects the causality between modalities. Experiments on the CrossDocked2020 benchmark demonstrate that TransDiffSBDD outperforms existing baselines.

cs.CE↗