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Yusong Deng

Publications and source records attributed to Yusong Deng.

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Deep Divide-and-Reduce in Symbolic Regression

Symbolic regression (SR) is the task of discovering underlying patterns from data and representing them using mathematical expressions. Current machine learning approaches to SR often lack a profound understanding of the intrinsic mathematical and physical principles governing these expressions. While the pioneering AI Feynman method leverages the mathematical properties underlying the data, its expression decomposition mechanism suffers from a narrow scope of applicability and is prone to failure on complex equations. Furthermore, its underlying mechanisms rely heavily on brute-force searches for sub-expressions, severely limiting its practical utility. Building on AI Feynman, we propose Deep Divide-and-Reduce in Symbolic Regression (DDRSR), a principled extension derived from a formal analysis of a broader class of decomposition structures. DDRSR fundamentally broadens the applicability of expression decomposition and reduction and ensures both wider versatility and sound analytical grounding. Empirical evaluations demonstrate that these theoretical principles yield substantial advantages in both expression decomposition and downstream symbolic regression performance. Finally, we discuss the applicable scenarios and inherent limitations of this paradigm, alongside promising directions for future research.

cs.LG

GESR: A Genetic Programming-Based Symbolic Regression Method with Gene Editing

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.

cs.AI

Operator Feature Neural Network for Symbolic Regression

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.

cs.LG

DN-CL: Deep Symbolic Regression against Noise via Contrastive Learning

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.

cs.LG

ChatSR: Multimodal Large Language Models for Scientific Formula Discovery

Current multimodal large language models (MLLMs) are mainly focused on the understanding and processing of perceptual modalities such as images and videos, while their capability for scientific data understanding remains insufficient. To this end, we propose ChatSR, a novel multimodal large language model tailored for scientific data understanding. ChatSR treats scientific data as a new modality analogous to visual content and, through carefully designed encoders and modality alignment mechanisms, maps scientific data into a representation space that can be processed by large language models, enabling the model to grasp the structural characteristics and underlying regularities of scientific data. Building on this foundation, ChatSR further exploits the rich domain knowledge and strong reasoning abilities of large language models to emulate a knowledgeable human scientist: based on user-specified prior constraints and preferences expressed (such as requirements on periodicity, symmetry, etc.), it automatically generates mathematical formulas that not only accurately fit the observed data but also conform to domain priors, thereby characterizing the latent laws embodied in scientific data and promoting the automation of scientific discovery. Experiments on 13 datasets show that ChatSR achieves state-of-the-art performance on traditional symbolic regression benchmarks. In addition, ChatSR exhibits a promising zero-shot ability to understand and utilize types of prior knowledge that are not present in its training data.

cs.AI

A Neural-Guided Dynamic Symbolic Network for Exploring Mathematical Expressions from Data

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.

cs.LG

Closed-form Solutions: A New Perspective on Solving Differential Equations

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.

cs.LG

Generative Pre-Trained Transformer for Symbolic Regression Base In-Context Reinforcement Learning

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.

cs.LG

MMSR: Symbolic Regression is a Multi-Modal Information Fusion Task

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

cs.LG

Discovering Mathematical Formulas from Data via GPT-guided Monte Carlo Tree Search

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.

cs.LG

A Novel Paradigm for Neural Computation: X-Net with Learnable Neurons and Adaptable Structure

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.

cs.AI

MetaSymNet: A Tree-like Symbol Network with Adaptive Architecture and Activation Functions

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.

cs.LG

Equidissections of darts

We define the dart $D(a)$ to be the nonconvex quadrilateral whose vertices are $(0,1), (1,1), (1,0), (a,a)$ (in counterclockwise order), with $a>1$. Such a dart can be dissected into any even number of equal-area triangles. Here we investigate darts that can be dissected into an odd number of equal-area triangle.

math.MG