Lina Yu

Wenqiang Li, Weijun Li, Lina Yu et al.

Symbolic regression (SR) is a powerful technique for discovering the underlying mathematical expressions from observed data. Inspired by the success of deep learning, recent deep generative SR methods have shown promising results. However, these methods face difficulties in processing high-dimensional problems and learning constants due to the large search space, and they don't scale well to unseen problems. In this work, we propose DySymNet, a novel neural-guided Dynamic Symbolic Network for SR. Instead of searching for expressions within a large search space, we explore symbolic networks with various structures, guided by reinforcement learning, and optimize them to identify expressions that better-fitting the data. Based on extensive numerical experiments on low-dimensional public standard benchmarks and the well-known SRBench with more variables, DySymNet shows clear superiority over several representative baseline models. Open source code is available at https://github.com/AILWQ/DySymNet.

Yanjie Li, Weijun Li, Lina Yu et al.

Mathematical formulas serve as the means of communication between humans and nature, encapsulating the operational laws governing natural phenomena. The concise formulation of these laws is a crucial objective in scientific research and an important challenge for artificial intelligence (AI). While traditional artificial neural networks (MLP) excel at data fitting, they often yield uninterpretable black box results that hinder our understanding of the relationship between variables x and predicted values y. Moreover, the fixed network architecture in MLP often gives rise to redundancy in both network structure and parameters. To address these issues, we propose MetaSymNet, a novel neural network that dynamically adjusts its structure in real-time, allowing for both expansion and contraction. This adaptive network employs the PANGU meta function as its activation function, which is a unique type capable of evolving into various basic functions during training to compose mathematical formulas tailored to specific needs. We then evolve the neural network into a concise, interpretable mathematical expression. To evaluate MetaSymNet's performance, we compare it with four state-of-the-art symbolic regression algorithms across more than 10 public datasets comprising 222 formulas. Our experimental results demonstrate that our algorithm outperforms others consistently regardless of noise presence or absence. Furthermore, we assess MetaSymNet against MLP and SVM regarding their fitting ability and extrapolation capability, these are two essential aspects of machine learning algorithms. The findings reveal that our algorithm excels in both areas. Finally, we compared MetaSymNet with MLP using iterative pruning in network structure complexity. The results show that MetaSymNet's network structure complexity is obviously less than MLP under the same goodness of fit.

Yanjie Li, Jian Xu, Xueqing Chen et al.

Adsorption energy is a key descriptor of catalytic reactivity. It is fundamentally defined as the difference between the relaxed total energy of the adsorbate-surface system and that of an appropriate reference state; therefore, the accuracy of relaxed-energy prediction directly determines the reliability of machine-learning-driven catalyst screening. E(3)-equivariant graph neural networks (GNNs) can natively operate on three-dimensional atomic coordinates under periodic boundary conditions and have demonstrated strong performance on such tasks. In contrast, language-model-based approaches, while enabling human-readable textual descriptions and reducing reliance on explicit graph -- thereby broadening applicability -- remain insufficient in both adsorption-configuration energy prediction accuracy and in distinguishing ``the same system with different configurations,'' even with graph-assisted pretraining in the style of GAP-CATBERTa. To this end, we propose QE-Catalytic, a multimodal framework that deeply couples a large language model (\textbf{Q}wen) with an E(3)-equivariant graph Transformer (\textbf{E}quiformer-V2), enabling unified support for adsorption-configuration property prediction and inverse design on complex catalytic surfaces. During prediction, QE-Catalytic jointly leverages three-dimensional structures and structured configuration text, and injects ``3D geometric information'' into the language channel via graph-text alignment, allowing it to function as a high-performance text-based predictor when precise coordinates are unavailable, while also autoregressively generating CIF files for target-energy-driven structure design and information completion. On OC20, QE-Catalytic reduces the MAE of relaxed adsorption energy from 0.713~eV to 0.486~eV, and consistently outperforms baseline models such as CatBERTa and GAP-CATBERTa across multiple evaluation protocols.

Yanjie Li, Jingyi Liu, Weijun Li et al.

Mathematical formulas are the crystallization of human wisdom in exploring the laws of nature for thousands of years. Describing the complex laws of nature with a concise mathematical formula is a constant pursuit of scientists and a great challenge for artificial intelligence. This field is called symbolic regression (SR). Symbolic regression was originally formulated as a combinatorial optimization problem, and Genetic Programming (GP) and Reinforcement Learning algorithms were used to solve it. However, GP is sensitive to hyperparameters, and these two types of algorithms are inefficient. To solve this problem, researchers treat the mapping from data to expressions as a translation problem. And the corresponding large-scale pre-trained model is introduced. However, the data and expression skeletons do not have very clear word correspondences as the two languages do. Instead, they are more like two modalities (e.g., image and text). Therefore, in this paper, we proposed MMSR. The SR problem is solved as a pure multi-modal problem, and contrastive learning is also introduced in the training process for modal alignment to facilitate later modal feature fusion. It is worth noting that to better promote the modal feature fusion, we adopt the strategy of training contrastive learning loss and other losses at the same time, which only needs one-step training, instead of training contrastive learning loss first and then training other losses. Because our experiments prove training together can make the feature extraction module and feature fusion module wearing-in better. Experimental results show that compared with multiple large-scale pre-training baselines, MMSR achieves the most advanced results on multiple mainstream datasets including SRBench. Our code is open source at https://github.com/1716757342/MMSR

Yusong Deng, Min Wu, Lina Yu et al.

Symbolic regression is a task aimed at identifying patterns in data and representing them through mathematical expressions, generally involving skeleton prediction and constant optimization. Many methods have achieved some success, however they treat variables and symbols merely as characters of natural language without considering their mathematical essence. This paper introduces the operator feature neural network (OF-Net) which employs operator representation for expressions and proposes an implicit feature encoding method for the intrinsic mathematical operational logic of operators. By substituting operator features for numeric loss, we can predict the combination of operators of target expressions. We evaluate the model on public datasets, and the results demonstrate that the model achieves superior recovery rates and high $R^2$ scores. With the discussion of the results, we analyze the merit and demerit of OF-Net and propose optimizing schemes.

Yuchen Wu, Jiahe Li, Xiaohan Yu et al.

Monocular visual SLAM enables 3D reconstruction from internet video and autonomous navigation on resource-constrained platforms, yet suffers from scale drift, i.e., the gradual divergence of estimated scale over long sequences. Existing frame-to-frame methods achieve real-time performance through local optimization but accumulate scale drift due to the lack of global constraints among independent windows. To address this, we propose SCE-SLAM, an end-to-end SLAM system that maintains scale consistency through scene coordinate embeddings, which are learned patch-level representations encoding 3D geometric relationships under a canonical scale reference. The framework consists of two key modules: geometry-guided aggregation that leverages 3D spatial proximity to propagate scale information from historical observations through geometry-modulated attention, and scene coordinate bundle adjustment that anchors current estimates to the reference scale through explicit 3D coordinate constraints decoded from the scene coordinate embeddings. Experiments on KITTI, Waymo, and vKITTI demonstrate substantial improvements: our method reduces absolute trajectory error by 8.36m on KITTI compared to the best prior approach, while maintaining 36 FPS and achieving scale consistency across large-scale scenes.

Yanjie Li, Liping Zhang, Min Wu et al.

Mathematical formulas serve as a language through which humans communicate with nature. Discovering mathematical laws from scientific data to describe natural phenomena has been a long-standing pursuit of humanity for centuries. In the field of artificial intelligence, this challenge is known as the symbolic regression problem. Among existing symbolic regression approaches, Genetic Programming (GP) based on evolutionary algorithms remains one of the most classical and widely adopted methods. GP simulates the evolutionary process across generations through genetic mutation and crossover. However, mutations and crossovers in GP are entirely random. While this randomness effectively mimics natural evolution, it inevitably produces both beneficial and detrimental variations. If there existed a metaphorical `God` capable of foreseeing which genetic mutations or crossovers would yield superior outcomes and performing targeted gene editing accordingly, the efficiency of evolution could be substantially improved. Motivated by this idea, we propose in this paper a symbolic regression approach based on gene editing, termed GESR. In GESR, we trained two "hands of God" (two BERT models). Among them, the first leverages the BERT's masked language modeling capability to guide the mutation of genes (expression symbols). The other BERT model guides the crossover of individual genes by predicting the crossover point. Experimental results demonstrate that GESR significantly improves computational efficiency compared with traditional GP algorithms and achieves strong overall performance across multiple symbolic regression tasks.

Qiang Li, Ningjing Zeng, Lina Yu

Several studies have employed reinforcement learning (RL) to address the challenges of regional adaptive traffic signal control (ATSC) and achieved promising results. In this field, existing research predominantly adopts multi-agent frameworks. However, the adoption of multi-agent frameworks presents challenges for scalability. Instead, the Traffic signal control (TSC) problem necessitates a single-agent framework. TSC inherently relies on centralized management by a single control center, which can monitor traffic conditions across all roads in the study area and coordinate the control of all intersections. This work proposes a single-agent RL-based regional ATSC model compatible with probe vehicle technology. Key components of the RL design include state, action, and reward function definitions. To facilitate learning and manage congestion, both state and reward functions are defined based on queue length, with action designed to regulate queue dynamics. The queue length definition used in this study differs slightly from conventional definitions but is closely correlated with congestion states. More importantly, it allows for reliable estimation using link travel time data from probe vehicles. With probe vehicle data already covering most urban roads, this feature enhances the proposed method's potential for widespread deployment. The method was comprehensively evaluated using the SUMO simulation platform. Experimental results demonstrate that the proposed model effectively mitigates large-scale regional congestion levels via coordinated multi-intersection control.

Qiang Li, Jin Niu, Lina Yu

Traffic congestion, primarily driven by intersection queuing, significantly impacts urban living standards, safety, environmental quality, and economic efficiency. While Traffic Signal Control (TSC) systems hold potential for congestion mitigation, traditional optimization models often fail to capture real-world traffic complexity and dynamics. This study introduces a novel single-agent reinforcement learning (RL) framework for regional adaptive TSC, circumventing the coordination complexities inherent in multi-agent systems through a centralized decision-making paradigm. The model employs an adjacency matrix to unify the encoding of road network topology, real-time queue states derived from probe vehicle data, and current signal timing parameters. Leveraging the efficient learning capabilities of the DreamerV3 world model, the agent learns control policies where actions sequentially select intersections and adjust their signal phase splits to regulate traffic inflow/outflow, analogous to a feedback control system. Reward design prioritizes queue dissipation, directly linking congestion metrics (queue length) to control actions. Simulation experiments conducted in SUMO demonstrate the model's effectiveness: under inference scenarios with multi-level (10%, 20%, 30%) Origin-Destination (OD) demand fluctuations, the framework exhibits robust anti-fluctuation capability and significantly reduces queue lengths. This work establishes a new paradigm for intelligent traffic control compatible with probe vehicle technology. Future research will focus on enhancing practical applicability by incorporating stochastic OD demand fluctuations during training and exploring regional optimization mechanisms for contingency events.

Qiang Li, Yinhan Lin, Qin Luo et al.

Reinforcement learning (RL) has evolved into a widely investigated technology for the development of smart TSC strategies. However, current RL algorithms necessitate excessive interaction with the environment to learn effective policies, making them impractical for large-scale tasks. The DreamerV3 algorithm presents compelling properties for policy learning. It summarizes general dynamics knowledge about the environment and enables the prediction of future outcomes of potential actions from past experience, reducing the interaction with the environment through imagination training. In this paper, a corridor TSC model is trained using the DreamerV3 algorithm to explore the benefits of world models for TSC strategy learning. In RL environment design, to manage congestion levels effectively, both the state and reward functions are defined based on queue length, and the action is designed to manage queue length efficiently. Using the SUMO simulation platform, the two hyperparameters (training ratio and model size) of the DreamerV3 algorithm were tuned and analyzed across different OD matrix scenarios. We discovered that choosing a smaller model size and initially attempting several medium training ratios can significantly reduce the time spent on hyperparameter tuning. Additionally, we found that the approach is generally applicable as it can solve two TSC task scenarios with the same hyperparameters. Regarding the claimed data-efficiency of the DreamerV3 algorithm, due to the significant fluctuation of the episode reward curve in the early stages of training, it can only be confirmed that larger model sizes exhibit modest data-efficiency, and no evidence was found that increasing the training ratio accelerates convergence.

Yanjie Li, Weijun Li, Lina Yu et al.

The mathematical formula is the human language to describe nature and is the essence of scientific research. Finding mathematical formulas from observational data is a major demand of scientific research and a major challenge of artificial intelligence. This area is called symbolic regression. Originally symbolic regression was often formulated as a combinatorial optimization problem and solved using GP or reinforcement learning algorithms. These two kinds of algorithms have strong noise robustness ability and good Versatility. However, inference time usually takes a long time, so the search efficiency is relatively low. Later, based on large-scale pre-training data proposed, such methods use a large number of synthetic data points and expression pairs to train a Generative Pre-Trained Transformer(GPT). Then this GPT can only need to perform one forward propagation to obtain the results, the advantage is that the inference speed is very fast. However, its performance is very dependent on the training data and performs poorly on data outside the training set, which leads to poor noise robustness and Versatility of such methods. So, can we combine the advantages of the above two categories of SR algorithms? In this paper, we propose \textbf{FormulaGPT}, which trains a GPT using massive sparse reward learning histories of reinforcement learning-based SR algorithms as training data. After training, the SR algorithm based on reinforcement learning is distilled into a Transformer. When new test data comes, FormulaGPT can directly generate a "reinforcement learning process" and automatically update the learning policy in context. Tested on more than ten datasets including SRBench, formulaGPT achieves the state-of-the-art performance in fitting ability compared with four baselines. In addition, it achieves satisfactory results in noise robustness, versatility, and inference efficiency.

Yanjie Li, Weijun Li, Lina Yu et al.

Multilayer perception (MLP) has permeated various disciplinary domains, ranging from bioinformatics to financial analytics, where their application has become an indispensable facet of contemporary scientific research endeavors. However, MLP has obvious drawbacks. 1), The type of activation function is single and relatively fixed, which leads to poor `representation ability' of the network, and it is often to solve simple problems with complex networks; 2), the network structure is not adaptive, it is easy to cause network structure redundant or insufficient. In this work, we propose a novel neural network paradigm X-Net promising to replace MLPs. X-Net can dynamically learn activation functions individually based on derivative information during training to improve the network's representational ability for specific tasks. At the same time, X-Net can precisely adjust the network structure at the neuron level to accommodate tasks of varying complexity and reduce computational costs. We show that X-Net outperforms MLPs in terms of representational capability. X-Net can achieve comparable or even better performance than MLP with much smaller parameters on regression and classification tasks. Specifically, in terms of the number of parameters, X-Net is only 3% of MLP on average and only 1.1% under some tasks. We also demonstrate X-Net's ability to perform scientific discovery on data from various disciplines such as energy, environment, and aerospace, where X-Net is shown to help scientists discover new laws of mathematics or physics.

Qiang Li, Jin Niu, Qin Luo et al.

In the context of global urbanization and motorization, traffic congestion has become a significant issue, severely affecting the quality of life, environment, and economy. This paper puts forward a single-agent reinforcement learning (RL)-based regional traffic signal control (TSC) model. Different from multi - agent systems, this model can coordinate traffic signals across a large area, with the goals of alleviating regional traffic congestion and minimizing the total travel time. The TSC environment is precisely defined through specific state space, action space, and reward functions. The state space consists of the current congestion state, which is represented by the queue lengths of each link, and the current signal phase scheme of intersections. The action space is designed to select an intersection first and then adjust its phase split. Two reward functions are meticulously crafted. One focuses on alleviating congestion and the other aims to minimize the total travel time while considering the congestion level. The experiments are carried out with the SUMO traffic simulation software. The performance of the TSC model is evaluated by comparing it with a base case where no signal-timing adjustments are made. The results show that the model can effectively control congestion. For example, the queuing length is significantly reduced in the scenarios tested. Moreover, when the reward is set to both alleviate congestion and minimize the total travel time, the average travel time is remarkably decreased, which indicates that the model can effectively improve traffic conditions. This research provides a new approach for large-scale regional traffic signal control and offers valuable insights for future urban traffic management.

Jingyi Liu, Yanjie Li, Lina Yu et al.

Noise ubiquitously exists in signals due to numerous factors including physical, electronic, and environmental effects. Traditional methods of symbolic regression, such as genetic programming or deep learning models, aim to find the most fitting expressions for these signals. However, these methods often overlook the noise present in real-world data, leading to reduced fitting accuracy. To tackle this issue, we propose \textit{\textbf{D}eep Symbolic Regression against \textbf{N}oise via \textbf{C}ontrastive \textbf{L}earning (DN-CL)}. DN-CL employs two parameter-sharing encoders to embed data points from various data transformations into feature shields against noise. This model treats noisy data and clean data as different views of the ground-truth mathematical expressions. Distances between these features are minimized, utilizing contrastive learning to distinguish between 'positive' noise-corrected pairs and 'negative' contrasting pairs. Our experiments indicate that DN-CL demonstrates superior performance in handling both noisy and clean data, presenting a promising method of symbolic regression.

Shu Wei, Yanjie Li, Lina Yu et al.

The quest for analytical solutions to differential equations has traditionally been constrained by the need for extensive mathematical expertise. Machine learning methods like genetic algorithms have shown promise in this domain, but are hindered by significant computational time and the complexity of their derived solutions. This paper introduces SSDE (Symbolic Solver for Differential Equations), a novel reinforcement learning-based approach that derives symbolic closed-form solutions for various differential equations. Evaluations across a diverse set of ordinary and partial differential equations demonstrate that SSDE outperforms existing machine learning methods, delivering superior accuracy and efficiency in obtaining analytical solutions.

Yanjie Li, Lina Yu, Weijun Li et al.

Formulas are the language of communication between humans and nature. The discovery of formulas to describe natural laws from observational data is the purpose of scientific research. It is also an important research topic in artificial intelligence, which is called a symbolic regression problem. Most of the existing symbolic regression methods generate expressions directly from observed data. Although in some methods, we can inject some prior knowledge into the model by adding constraints or introducing some special character hints. However, these methods can only introduce a limited amount of prior knowledge specified in advance. Not to mention understanding natural language instructions. In this article, based on the powerful knowledge reserve and language understanding ability of multi-modal large language models, we present ChatSR, which acts like a knowledgeable human scientist, and we can tell it any prior knowledge through natural language to guide it in formula generation. By testing on 13 datasets, ChatSR not only shows state-of-the-art performance on traditional symbolic regression tasks. More notably, ChatSR can well understand the prior knowledge contained in natural language prompts and improve the quality of generated expressions. In addition, it is exciting that ChatSR has a good zero-shot capability to understand prior knowledge that is not present in the training data.

Min Wu, Weijun Li, Lina Yu et al.

Symbolic regression aims to derive interpretable symbolic expressions from data in order to better understand and interpret data. %which plays an important role in knowledge discovery and interpretable machine learning. In this study, a symbolic network called PruneSymNet is proposed for symbolic regression. This is a novel neural network whose activation function consists of common elementary functions and operators. The whole network is differentiable and can be trained by gradient descent method. Each subnetwork in the network corresponds to an expression, and our goal is to extract such subnetworks to get the desired symbolic expression. Therefore, a greedy pruning algorithm is proposed to prune the network into a subnetwork while ensuring the accuracy of data fitting. The proposed greedy pruning algorithm preserves the edge with the least loss in each pruning, but greedy algorithm often can not get the optimal solution. In order to alleviate this problem, we combine beam search during pruning to obtain multiple candidate expressions each time, and finally select the expression with the smallest loss as the final result. It was tested on the public data set and compared with the current popular algorithms. The results showed that the proposed algorithm had better accuracy.

Yanjie Li, Weijun Li, Lina Yu et al.

Finding a concise and interpretable mathematical formula that accurately describes the relationship between each variable and the predicted value in the data is a crucial task in scientific research, as well as a significant challenge in artificial intelligence. This problem is referred to as symbolic regression, which is an NP-hard problem. In the previous year, a novel symbolic regression methodology utilizing Monte Carlo Tree Search (MCTS) was advanced, achieving state-of-the-art results on a diverse range of datasets. although this algorithm has shown considerable improvement in recovering target expressions compared to previous methods, the lack of guidance during the MCTS process severely hampers its search efficiency. Recently, some algorithms have added a pre-trained policy network to guide the search of MCTS, but the pre-trained policy network generalizes poorly. To optimize the trade-off between efficiency and versatility, we introduce SR-GPT, a novel algorithm for symbolic regression that integrates Monte Carlo Tree Search (MCTS) with a Generative Pre-Trained Transformer (GPT). By using GPT to guide the MCTS, the search efficiency of MCTS is significantly improved. Next, we utilize the MCTS results to further refine the GPT, enhancing its capabilities and providing more accurate guidance for the MCTS. MCTS and GPT are coupled together and optimize each other until the target expression is successfully determined. We conducted extensive evaluations of SR-GPT using 222 expressions sourced from over 10 different symbolic regression datasets. The experimental results demonstrate that SR-GPT outperforms existing state-of-the-art algorithms in accurately recovering symbolic expressions both with and without added noise.

Liping Zhang, Weijun Li, Linjun Sun et al.

How to represent a face pattern? While it is presented in a continuous way in our visual system, computers often store and process the face image in a discrete manner with 2D arrays of pixels. In this study, we attempt to learn a continuous representation for face images with explicit functions. First, we propose an explicit model (EmFace) for human face representation in the form of a finite sum of mathematical terms, where each term is an analytic function element. Further, to estimate the unknown parameters of EmFace, a novel neural network, EmNet, is designed with an encoder-decoder structure and trained using the backpropagation algorithm, where the encoder is defined by a deep convolutional neural network and the decoder is an explicit mathematical expression of EmFace. Experimental results show that EmFace has a higher representation performance on faces with various expressions, postures, and other factors, compared to that of other methods. Furthermore, EmFace achieves reasonable performance on several face image processing tasks, including face image restoration, denoising, and transformation.

Liping Zhang, Weijun Li, Lina Yu et al.

Establishing mathematical models is a ubiquitous and effective method to understand the objective world. Due to complex physiological structures and dynamic behaviors, mathematical representation of the human face is an especially challenging task. A mathematical model for face image representation called GmFace is proposed in the form of a multi-Gaussian function in this paper. The model utilizes the advantages of two-dimensional Gaussian function which provides a symmetric bell surface with a shape that can be controlled by parameters. The GmNet is then designed using Gaussian functions as neurons, with parameters that correspond to each of the parameters of GmFace in order to transform the problem of GmFace parameter solving into a network optimization problem of GmNet. The face modeling process can be described by the following steps: (1) GmNet initialization; (2) feeding GmNet with face image(s); (3) training GmNet until convergence; (4) drawing out the parameters of GmNet (as the same as GmFace); (5) recording the face model GmFace. Furthermore, using GmFace, several face image transformation operations can be realized mathematically through simple parameter computation.