Yuhao Lu

Yuhao Lu, Beixing Deng, Zhenyu Wang et al.

6-DoF grasp pose detection of multi-grasp and multi-object is a challenge task in the field of intelligent robot. To imitate human reasoning ability for grasping objects, data driven methods are widely studied. With the introduction of large-scale datasets, we discover that a single physical metric usually generates several discrete levels of grasp confidence scores, which cannot finely distinguish millions of grasp poses and leads to inaccurate prediction results. In this paper, we propose a hybrid physical metric to solve this evaluation insufficiency. First, we define a novel metric is based on the force-closure metric, supplemented by the measurement of the object flatness, gravity and collision. Second, we leverage this hybrid physical metric to generate elaborate confidence scores. Third, to learn the new confidence scores effectively, we design a multi-resolution network called Flatness Gravity Collision GraspNet (FGC-GraspNet). FGC-GraspNet proposes a multi-resolution features learning architecture for multiple tasks and introduces a new joint loss function that enhances the average precision of the grasp detection. The network evaluation and adequate real robot experiments demonstrate the effectiveness of our hybrid physical metric and FGC-GraspNet. Our method achieves 90.5\% success rate in real-world cluttered scenes. Our code is available at https://github.com/luyh20/FGC-GraspNet.

Penghui Yang, Zhonghan Zhang, Yue Li et al.

Density functional theory (DFT) serves as the basis for computational discovery in materials science and chemistry, yet each calculation demands extensive human effort: adjusting algorithms when convergence stalls, revising plans when unexpected physics emerges, and inserting steps as intermediate results reshape the problem. Existing LLM-based agents automate only the initial planning stage, producing a full execution plan upfront and leaving all subsequent adaptation to hand-crafted rules. As a result, these workflows remain fragile, do not generalize well beyond pre-planned scenarios, and often require expert intervention when failures or unexpected intermediate results require changes to the calculation path. Here, we introduce AutoDFT, a closed-loop multi-agent framework that embeds LLM reasoning into every stage of the DFT lifecycle, where a strategic planner produces a skeletal plan of step objectives; a step planner generates numerical parameters just in time from preceding results; and a monitor-recover-reflect cycle diagnoses failures, repairs them, and revises the plan when the evidence justifies it. We demonstrate both breadth and depth: breadth on VASPBench, a purpose-built benchmark spanning 34 tasks and 9 DFT calculation types, where AutoDFT achieves 94.1% task-level success with GPT-5.2; and depth on established materials databases, where AutoDFT produces quantitatively reliable property predictions across electronic, magnetic, and energetic properties. By closing the loop between planning and execution, AutoDFT enables experimentalists without deep computational expertise to obtain reliable first-principles results.

Yanchen Deng, Chendong Zhao, Yixuan Li et al.

The discovery of advanced metallic alloys is hindered by vast composition spaces, competing property objectives, and real-world constraints on manufacturability. Here we introduce MATAI, a generalist machine learning framework for property prediction and inverse design of as-cast alloys. MATAI integrates a curated alloy database, deep neural network-based property predictors, a constraint-aware optimization engine, and an iterative AI-experiment feedback loop. The framework estimates key mechanical propertie, sincluding density, yield strength, ultimate tensile strength, and elongation, directly from composition, using multi-task learning and physics-informed inductive biases. Alloy design is framed as a constrained optimization problem and solved using a bi-level approach that combines local search with symbolic constraint programming. We demonstrate MATAI's capabilities on the Ti-based alloy system, a canonical class of lightweight structural materials, where it rapidly identifies candidates that simultaneously achieve lower density (<4.45 g/cm3), higher strength (>1000 MPa) and appreciable ductility (>5%) through only seven iterations. Experimental validation confirms that MATAI-designed alloys outperform commercial references such as TC4, highlighting the framework's potential to accelerate the discovery of lightweight, high-performance materials under real-world design constraints.

Yang Liu, Yuhao Lu, Rahim Moradi et al.

This work shows how human physical reasoning can guide machine-driven symbolic regression toward discovering empirical laws from observations. As an example, we derive a simple equation that classifies fast radio bursts (FRBs) into two distinct Gaussian distributions, indicating the existence of two physical classes. This human-AI workflow integrates feature selection, dimensional analysis, and symbolic regression: deep learning first analyzes CHIME Catalog 1 and identifies six independent parameters that collectively provide a complete description of FRBs; guided by Buckingham-$π$ analysis and correlation analysis, humans then construct dimensionless groups; finally, symbolic regression performed by the machine discovers the governing equation. When applied to the newer CHIME Catalog, the equation produces consistent results, demonstrating that it captures the underlying physics. This framework is applicable to a broad range of scientific domains.

Yixuan Li, Yuhao Lu, Yang Liu et al.

This work investigates whether large language models (LLMs) offer advantages over traditional neural networks for astronomical data processing, in regimes with non-Gaussian, non-stationary noise and limited labeled samples. Gravitational wave observations provide an suitable test case, using only 90 LIGO events, finetuned LLMs achieve 97.4\% accuracy for identifying signals. Further experiments show that, in contrast to traditional networks that rely on large simulated datasets, additional simulated samples do not improve LLM performance, while scaling studies reveal predictable gains with increasing model size and dataset size. These results indicate that LLMs can extract discriminative structure directly from observational data and provide an efficient assessment for gravitational wave identification. The same strategy may extend to other astronomical domains with similar noise properties, such as radio or pulsar observations.

Yuhao Lu, HengJian SiTu, Jie Li et al.

We present a population-scale catalogue of 287,872 supermassive black hole masses with high accuracy. Using a deep encoder-decoder network trained on optical spectra with reverberation-mapping (RM) based labels of 849 quasars and applied to all SDSS quasars up to $z=4$, our method achieves a root-mean-square error of $0.058$\,dex, a relative uncertainty of $\approx 14\%$, and coefficient of determination $R^{2}\approx0.91$ with respect to RM-based masses, far surpassing traditional single-line virial estimators. Notably, the high accuracy is maintained for both low ($<10^{7.5}\,M_\odot$) and high ($>10^{9}\,M_\odot$) mass quasars, where empirical relations are unreliable.

Penghui Yang, Chendong Zhao, Bijun Tang et al.

Alloy discovery is central to advancing modern industry but remains hindered by the vastness of compositional design space and the costly validation. Here, we present AutoMAT, a hierarchical and autonomous framework grounded in and validated by experiments, which integrates large language models, automated CALPHAD-based simulations, and AI-driven search to accelerate alloy design. Spanning the entire pipeline from ideation to validation, AutoMAT achieves high efficiency, accuracy, and interpretability without the need for manually curated large datasets. In a case study targeting a lightweight, high-strength alloy, AutoMAT identifies a titanium alloy with 8.1% lower density and comparable yield strength relative to the state-of-the-art reference, achieving the highest specific strength among all comparisons. In a second case targeting high-yield-strength high-entropy alloys, AutoMAT achieves a 28.2% improvement in yield strength over the base alloy. In both cases, AutoMAT reduces the discovery timeline from years to weeks, illustrating its potential as a scalable and versatile platform for next-generation alloy design.

Manzhang Xu, Bijun Tang, Chao Zhu et al.

Reducing the lateral scale of two-dimensional (2D) materials to one-dimensional (1D) has attracted substantial research interest not only to achieve competitive electronic device applications but also for the exploration of fundamental physical properties. Controllable synthesis of high-quality 1D nanoribbons (NRs) is thus highly desirable and essential for the further study. Traditional exploration of the optimal synthesis conditions of novel materials is based on the trial-and-error approach, which is time consuming, costly and laborious. Recently, machine learning (ML) has demonstrated promising capability in guiding material synthesis through effectively learning from the past data and then making recommendations. Here, we report the implementation of supervised ML for the chemical vapor deposition (CVD) synthesis of high-quality 1D few-layered WTe2 nanoribbons (NRs). The synthesis parameters of the WTe2 NRs are optimized by the trained ML model. On top of that, the growth mechanism of as-synthesized 1T' few-layered WTe2 NRs is further proposed, which may inspire the growth strategies for other 1D nanostructures. Our findings suggest that ML is a powerful and efficient approach to aid the synthesis of 1D nanostructures, opening up new opportunities for intelligent material development.

Bijun Tang, Yuhao Lu, Jiadong Zhou et al.

Synthesis of advanced inorganic materials with minimum number of trials is of paramount importance towards the acceleration of inorganic materials development. The enormous complexity involved in existing multi-variable synthesis methods leads to high uncertainty, numerous trials and exorbitant cost. Recently, machine learning (ML) has demonstrated tremendous potential for material research. Here, we report the application of ML to optimize and accelerate material synthesis process in two representative multi-variable systems. A classification ML model on chemical vapor deposition-grown MoS2 is established, capable of optimizing the synthesis conditions to achieve higher success rate. While a regression model is constructed on the hydrothermal-synthesized carbon quantum dots, to enhance the process-related properties such as the photoluminescence quantum yield. Progressive adaptive model is further developed, aiming to involve ML at the beginning stage of new material synthesis. Optimization of the experimental outcome with minimized number of trials can be achieved with the effective feedback loops. This work serves as proof of concept revealing the feasibility and remarkable capability of ML to facilitate the synthesis of inorganic materials, and opens up a new window for accelerating material development.

Dabiao Ma, Zhiba Su, Wenxuan Wang et al.

End-to-end Text-to-speech (TTS) system can greatly improve the quality of synthesised speech. But it usually suffers form high time latency due to its auto-regressive structure. And the synthesised speech may also suffer from some error modes, e.g. repeated words, mispronunciations, and skipped words. In this paper, we propose a novel non-autoregressive, fully parallel end-to-end TTS system (FPETS). It utilizes a new alignment model and the recently proposed U-shape convolutional structure, UFANS. Different from RNN, UFANS can capture long term information in a fully parallel manner. Trainable position encoding and two-step training strategy are used for learning better alignments. Experimental results show FPETS utilizes the power of parallel computation and reaches a significant speed up of inference compared with state-of-the-art end-to-end TTS systems. More specifically, FPETS is 600X faster than Tacotron2, 50X faster than DCTTS and 10X faster than Deep Voice3. And FPETS can generates audios with equal or better quality and fewer errors comparing with other system. As far as we know, FPETS is the first end-to-end TTS system which is fully parallel.

Dabiao Ma, Zhiba Su, Yuhao Lu et al.

Neural networks with Auto-regressive structures, such as Recurrent Neural Networks (RNNs), have become the most appealing structures for acoustic modeling of parametric text to speech synthesis (TTS) in ecent studies. Despite the prominent capacity to capture long-term dependency, these models consist of massive sequential computations that cannot be fully parallel. In this paper, we propose a U-shaped Fully-parallel Acoustic Neural Structure (UFANS), which is a deconvolutional alternative of RNNs for Statistical Parametric Speech Synthesis (SPSS). The experiments verify that our proposed model is over 20 times faster than RNN based acoustic model, both training and inference on GPU with comparable speech quality. Furthermore, We also investigate that how long information dependence really matters to synthesized speech quality.