Equation discovery, also known as symbolic regression, is a type of automated modeling that discovers scientific laws, expressed in the form of equations, from observed data and expert knowledge. Deterministic grammars, such as context-free grammars, have been used to limit the search spaces in equation discovery by providing hard constraints that specify which equations to consider and which not. In this paper, we propose the use of probabilistic context-free grammars in equation discovery. Such grammars encode soft constraints, specifying a prior probability distribution on the space of possible equations. We show that probabilistic grammars can be used to elegantly and flexibly formulate the parsimony principle, that favors simpler equations, through probabilities attached to the rules in the grammars. We demonstrate that the use of probabilistic, rather than deterministic grammars, in the context of a Monte-Carlo algorithm for grammar-based equation discovery, leads to more efficient equation discovery. Finally, by specifying prior probability distributions over equation spaces, the foundations are laid for Bayesian approaches to equation discovery.
We study a formalization of the grammar induction problem that models sentences as being generated by a compound probabilistic context-free grammar. In contrast to traditional formulations which learn a single stochastic grammar, our grammar's rule probabilities are modulated by a per-sentence continuous latent variable, which induces marginal dependencies beyond the traditional context-free assumptions. Inference in this grammar is performed by collapsed variational inference, in which an amortized variational posterior is placed on the continuous variable, and the latent trees are marginaliz…
The problem of identifying a probabilistic context free grammar has two aspects: the first is determining the grammar's topology (the rules of the grammar) and the second is estimating probabilistic weights for each rule. Given the hardness results for learning context-free grammars in general, and probabilistic grammars in particular, most of the literature has concentrated on the second problem. In this work we address the first problem. We restrict attention to structurally unambiguous weighted context-free grammars (SUWCFG) and provide a query learning algorithm for structurally unambiguou…
We develop operators for construction of proposals in probabilistic programs, which we refer to as inference combinators. Inference combinators define a grammar over importance samplers that compose primitive operations such as application of a transition kernel and importance resampling. Proposals in these samplers can be parameterized using neural networks, which in turn can be trained by optimizing variational objectives. The result is a framework for user-programmable variational methods that are correct by construction and can be tailored to specific models. We demonstrate the flexibility…
University of Ljubljana（卢布尔雅那大学）；Jožef Stefan Institute（约瑟夫·斯特凡研究所）
Probabilistic context-free grammars have a long-term record of use as generative models in machine learning and symbolic regression. When used for symbolic regression, they generate algebraic expressions. We define the latter as equivalence classes of strings derived by grammar and address the problem of calculating the probability of deriving a given expression with a given grammar. We show that the problem is undecidable in general. We then present specific grammars for generating linear, polynomial, and rational expressions, where algorithms for calculating the probability of a given expres…
University of Notre Dame（圣母大学）；Indiana University（印第安纳大学）
It is natural for probabilistic programs to use conditionals to express alternative substructures in models, and loops (recursion) to express repeated substructures in models. Thus, probabilistic programs with conditionals and recursion motivate ongoing interest in efficient and general inference. A factor graph grammar (FGG) generates a set of factor graphs that do not all need to be enumerated in order to perform inference. We provide a semantics-preserving translation from first-order probabilistic programs with conditionals and recursion to FGGs.
We present an approach to make molecular optimization more efficient. We infer a hypergraph replacement grammar from the ChEMBL database, count the frequencies of particular rules being used to expand particular nonterminals in other rules, and use these as conditional priors for the policy model. Simulating random molecules from the resulting probabilistic grammar, we show that conditional priors result in a molecular distribution closer to the training set than using equal rule probabilities or unconditional priors. We then treat molecular optimization as a reinforcement learning problem, us…
Universidad del Cauca（考卡大学）；PRHLT Research Center（PRHLT研究中心）；Universitat Politécnica de Valéncia（瓦伦西亚理工大学）
We present a formal framework for the development of a family of discriminative learning algorithms for Probabilistic Context-Free Grammars (PCFGs) based on a generalization of criterion-H. First of all, we propose the H-criterion as the objective function and the Growth Transformations as the optimization method, which allows us to develop the final expressions for the estimation of the parameters of the PCFGs. And second, we generalize the H-criterion to take into account the set of reference interpretations and the set of competing interpretations, and we propose a new family of objective f…
We present a probabilistic model for constraint-based grammars and a method for estimating the parameters of such models from incomplete, i.e., unparsed data. Whereas methods exist to estimate the parameters of probabilistic context-free grammars from incomplete data (Baum 1970), so far for probabilistic grammars involving context-dependencies only parameter estimation techniques from complete, i.e., fully parsed data have been presented (Abney 1997). However, complete-data estimation requires labor-intensive, error-prone, and grammar-specific hand-annotating of large language corpora. We pres…
ETH AI Center and Institute of Structural Engineering（苏黎世联邦理工学院人工智能中心和结构工程研究所）；Institute of Structural Engineering（结构工程研究所）；ETH AI Center（苏黎世联邦理工学院人工智能中心）；ETH Zurich（苏黎世联邦理工学院）
Domain-general semantic parsing is a long-standing goal in natural language processing, where the semantic parser is capable of robustly parsing sentences from domains outside of which it was trained. Current approaches largely rely on additional supervision from new domains in order to generalize to those domains. We present a generative model of natural language utterances and logical forms and demonstrate its application to semantic parsing. Our approach relies on domain-independent supervision to generalize to new domains. We derive and implement efficient algorithms for training, parsing,…
Decision Trees are some of the most popular machine learning models today due to their out-of-the-box performance and interpretability. Often, Decision Trees models are constructed greedily in a top-down fashion via heuristic search criteria, such as Gini impurity or entropy. However, trees constructed in this manner are sensitive to minor fluctuations in training data and are prone to overfitting. In contrast, Bayesian approaches to tree construction formulate the selection process as a posterior inference problem; such approaches are more stable and provide greater theoretical guarantees. Ho…
National Institute of Advanced Studies（国家高级研究院）；Indian Institute of Science（印度科学学院）
Causal inference is one of the most fundamental problems across all domains of science. We address the problem of inferring a causal direction from two observed discrete symbolic sequences $X$ and $Y$. We present a framework which relies on lossless compressors for inferring context-free grammars (CFGs) from sequence pairs and quantifies the extent to which the grammar inferred from one sequence compresses the other sequence. We infer $X$ causes $Y$ if the grammar inferred from $X$ better compresses $Y$ than in the other direction. To put this notion to practice, we propose three models that u…
Digital and Cognitive Musicology Lab（数字与认知音乐学实验室）；École Polytechnique Fédérale de Lausanne（洛桑联邦理工学院）
Probabilistic context-free grammars (PCFGs) and dynamic Bayesian networks (DBNs) are widely used sequence models with complementary strengths and limitations. While PCFGs allow for nested hierarchical dependencies (tree structures), their latent variables (non-terminal symbols) have to be discrete. In contrast, DBNs allow for continuous latent variables, but the dependencies are strictly sequential (chain structure). Therefore, neither can be applied if the latent variables are assumed to be continuous and also to have a nested hierarchical dependency structure. In this paper, we present Recur…
Princeton University（普林斯顿大学）；University of Liège（列日大学）；Université Paul Sabatier（保罗·萨巴捷大学）
We consider an original problem that arises from the issue of security analysis of a power system and that we name optimal discovery with probabilistic expert advice. We address it with an algorithm based on the optimistic paradigm and on the Good-Turing missing mass estimator. We prove two different regret bounds on the performance of this algorithm under weak assumptions on the probabilistic experts. Under more restrictive hypotheses, we also prove a macroscopic optimality result, comparing the algorithm both with an oracle strategy and with uniform sampling. Finally, we provide numerical ex…
We address the challenge of extracting structured information from business documents without detailed annotations. We propose Deep Conditional Probabilistic Context Free Grammars (DeepCPCFG) to parse two-dimensional complex documents and use Recursive Neural Networks to create an end-to-end system for finding the most probable parse that represents the structured information to be extracted. This system is trained end-to-end with scanned documents as input and only relational-records as labels. The relational-records are extracted from existing databases avoiding the cost of annotating docume…
University of Cambridge（剑桥大学）；University of Oxford（牛津大学）；Northeastern University（东北大学）
Existing methods for structure discovery in time series data construct interpretable, compositional kernels for Gaussian process regression models. While the learned Gaussian process model provides posterior mean and variance estimates, typically the structure is learned via a greedy optimization procedure. This restricts the space of possible solutions and leads to over-confident uncertainty estimates. We introduce a fully Bayesian approach, inferring a full posterior over structures, which more reliably captures the uncertainty of the model.
Princeton University（普林斯顿大学）；Université of Liege（列日大学）；CNRS（法国国家科学研究中心）；Telecom ParisTech（巴黎高等电信学院）
We consider an original problem that arises from the issue of security analysis of a power system and that we name optimal discovery with probabilistic expert advice. We address it with an algorithm based on the optimistic paradigm and the Good-Turing missing mass estimator. We show that this strategy uniformly attains the optimal discovery rate in a macroscopic limit sense, under some assumptions on the probabilistic experts. We also provide numerical experiments suggesting that this optimal behavior may still hold under weaker assumptions.
The recent proliferation of richly structured probabilistic models raises the question of how to automatically determine an appropriate model for a dataset. We investigate this question for a space of matrix decomposition models which can express a variety of widely used models from unsupervised learning. To enable model selection, we organize these models into a context-free grammar which generates a wide variety of structures through the compositional application of a few simple rules. We use our grammar to generically and efficiently infer latent components and estimate predictive likelihoo…
Vanderbilt University Medical Center（范德堡大学医学中心）；Clare Hall, University of Cambridge（剑桥大学克莱尔学堂）
We develop a symbolic regression framework for extracting the governing mathematical expressions from observed data. The evolutionary approach, faiGP, is designed to leverage the properties of a function algebra that have been encoded into a grammar, providing a theoretical guarantee of universal approximation and a way to minimize bloat. In this framework, the choice of operators of the grammar may be informed by a physical theory or symmetry considerations. Since there is currently no theory that can derive the 'constants of nature', an empirical investigation on extracting these coefficient…
The paper addresses the problem of finding the causal direction between two associated variables. The proposed solution is to build an autoencoder of their joint distribution and to maximize its estimation capacity relative to both the marginal distributions. It is shown that the resulting two capacities cannot, in general, be equal. This leads to a new criterion for causal discovery: the higher capacity is consistent with the unconstrained choice of a distribution representing the cause while the lower capacity reflects the constraints imposed by the mechanism on the distribution of the effec…
Multi-modal Probabilistic Active Sensing (MMPAS) uses sensor fusion and probabilistic models to control the perception process of robotic sensing platforms. MMPAS is successfully employed in environmental exploration, collaborative mobile robotics, and target tracking, being fostered by the high performance guarantees on autonomous perception. In this context, we propose a bi-Radio-Visual PAS scheme to solve the transmitter discovery problem. Specifically, we firstly exploit the correlation between radio and visual measurements to learn a target detection model in a self-supervised manner. The…
A Probabilistic Framework for LLM-Based Model Discovery
Machine Learning in Science, University of Tübingen, Tübingen, Germany（图宾根大学机器学习科学系，图宾根，德国）；Tübingen AI Center, Tübingen, Germany（图宾根人工智能中心，图宾根，德国）；Department Empirical Inference, Max Planck Institute for Intelligent Systems, Tübingen, Germany（经验推断部门，智能系统马克斯·普朗克研究所，图宾根，德国）
Georgia Institute of Technology（佐治亚理工学院）；Georgia Tech Research Institute（佐治亚理工研究院）
Neural network-based clustering has recently gained popularity, and in particular a constrained clustering formulation has been proposed to perform transfer learning and image category discovery using deep learning. The core idea is to formulate a clustering objective with pairwise constraints that can be used to train a deep clustering network; therefore the cluster assignments and their underlying feature representations are jointly optimized end-to-end. In this work, we provide a novel clustering formulation to address scalability issues of previous work in terms of optimizing deeper networ…
Knowing the uncertainty in a prediction is critical when making expensive investment decisions and when patient safety is paramount, but machine learning (ML) models in drug discovery typically provide only a single best estimate and ignore all sources of uncertainty. Predictions from these models may therefore be over-confident, which can put patients at risk and waste resources when compounds that are destined to fail are further developed. Probabilistic predictive models (PPMs) can incorporate uncertainty in both the data and model, and return a distribution of predicted values that represe…
When Does Metadata Conditioning (NOT) Work for Language Model Pre-Training? A Study with Context-Free Grammars
The University of Tokyo（东京大学）；RIKEN AIP（日本研究机构（Advanced Institute for Proprietary Technology））；University of California, Berkeley（加州大学伯克利分校）；Preferred Networks, Inc.（Preferred Networks公司）
