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Machine learning tools often rely on embedding text as vectors of real numbers.In this paper, we study how the semantic structure of language is encoded in the algebraic structure of such embeddings.Specifically, we look at a notion of "semantic independence" capturing the idea that, e.g., "eggplant" and "tomato" are independent given "vegetable". Although such examples are intuitive, it is difficult to formalize such a notion of semantic independence. The key observation here is that any sensible formalization should obey a set of so-called independence axioms, and thus any algebraic encoding of this structure should also obey these axioms. This leads us naturally to use partial orthogonality as the relevant algebraic structure. We develop theory and methods that allow us to demonstrate that partial orthogonality does indeed capture semantic independence.Complementary to this, we also introduce the concept of independence preserving embeddings where embeddings preserve the conditional independence structures of a distribution, and we prove the existence of such embeddings and approximations to them. 

Large Language Models (LLMs) have the capacity to store and recall facts. Through experimentation with open-source models, we observe that this ability to retrieve facts can be easily manipulated by changing contexts, even without altering their factual meanings. These findings highlight that LLMs might behave like an associative memory model where certain tokens in the contexts serve as clues to retrieving facts. We mathematically explore this property by studying how transformers, the building blocks of LLMs, can complete such memory tasks. We study a simple latent concept association problem with a one-layer transformer and we show theoretically and empirically that the transformer gathers information using self-attention and uses the value matrix for associative memory. 

To build intelligent machine learning systems, there are two broad approaches. One approach is to build inherently interpretable models, as endeavored by the growing field of causal representation learning. The other approach is to build highly-performant foundation models and then invest efforts into understanding how they work. In this work, we relate these two approaches and study how to learn human-interpretable concepts from data. Weaving together ideas from both fields, we formally define a notion of concepts and show that they can be provably recovered from diverse data. Experiments on synthetic data and large language models show the utility of our unified approach. 

We establish conditions under which latent causal graphs are nonparametrically identifiable and can be reconstructed from unknown interventions in the latent space. Our primary focus is the identification of the latent structure in a measurement model, i.e. causal graphical models where dependence between observed variables is insignificant compared to dependence between latent representations, without making parametric assumptions such as linearity or Gaussianity. Moreover, we do not assume the number of hidden variables is known, and we show that at most one unknown intervention per hidden variable is needed. This extends a recent line of work on learning causal representations from observations and interventions. The proofs are constructive and introduce two new graphical concepts -- imaginary subsets and isolated edges -- that may be useful in their own right. As a matter of independent interest, the proofs also involve a novel characterization of the limits of edge orientations within the equivalence class of DAGs induced by unknown interventions. Experiments confirm that the latent graph can be recovered from data using our theoretical results. These are the first results to characterize the conditions under which causal representations are identifiable without making any parametric assumptions in a general setting with unknown interventions and without faithfulness. 

Recently, an intriguing class of non-convex optimization problems has emerged in the context of learning directed acyclic graphs (DAGs). These problems involve minimizing a given loss or score function, subject to a non-convex continuous constraint that penalizes the presence of cycles in a graph. In this work, we delve into the optimality challenges associated with this class of non-convex programs. To address these challenges, we propose a bi-level algorithm that leverages the non-convex constraint in a novel way. The outer level of the algorithm optimizes over topological orders by iteratively swapping pairs of nodes within the topological order of a DAG. A key innovation of our approach is the development of an effective method for generating a set of candidate swapping pairs for each iteration. At the inner level, given a topological order, we utilize off-the-shelf solvers that can handle linear constraints. The key advantage of our proposed algorithm is that it is guaranteed to find a local minimum or a KKT point under weaker conditions compared to previous work and finds solutions with lower scores. Extensive experiments demonstrate that our method outperforms state-of-the-art approaches in terms of achieving a better score. Additionally, our method can also be used as a post-processing algorithm to significantly improve the score of other algorithms. Code implementing the proposed method is available at https://github.com/duntrain/topo. 

Despite numerous years of research into the merits and trade-offs of various model selection criteria, obtaining robust results that elucidate the behavior of cross-validation remains a challenging endeavor. In this paper, we highlight the inherent limitations of cross-validation when employed to discern the structure of a Gaussian graphical model. We provide finite-sample bounds on the probability that the Lasso estimator for the neighborhood of a node within a Gaussian graphical model, optimized using a prediction oracle, misidentifies the neighborhood. Our results pertain to both undirected and directed acyclic graphs, encompassing general, sparse covariance structures. To support our theoretical findings, we conduct an empirical investigation of this inconsistency by contrasting our outcomes with other commonly used information criteria through an extensive simulation study. Given that many algorithms designed to learn the structure of graphical models require hyperparameter selection, the precise calibration of this hyperparameter is paramount for accurately estimating the inherent structure. Consequently, our observations shed light on this widely recognized practical challenge. 

We develop optimal algorithms for learning undirected Gaussian trees and directed Gaussian polytrees from data. We consider both problems of distribution learning (i.e. in KL distance) and structure learning (i.e. exact recovery). The first approach is based on the Chow-Liu algorithm, and learns an optimal tree-structured distribution efficiently. The second approach is a modification of the PC algorithm for polytrees that uses partial correlation as a conditional independence tester for constraint-based structure learning. We derive explicit finite-sample guarantees for both approaches, and show that both approaches are optimal by deriving matching lower bounds. Additionally, we conduct numerical experiments to compare the performance of various algorithms, providing further insights and empirical evidence. 

Recently, a new class of non-convex optimization problems motivated by the statistical problem of learning an acyclic directed graphical model from data has attracted significant interest. While existing work uses standard first-order optimization schemes to solve this problem, proving the global optimality of such approaches has proven elusive. The difficulty lies in the fact that unlike other non-convex problems in the literature, this problem is not "benign", and possesses multiple spurious solutions that standard approaches can easily get trapped in. In this paper, we prove that a simple path-following optimization scheme globally converges to the global minimum of the population loss in the bivariate setting. 

Structural causal models (SCMs) are widely used in various disciplines to represent causal relationships among variables in complex systems. Unfortunately, the true underlying directed acyclic graph (DAG) structure is often unknown, and determining it from observational or interventional data remains a challenging task. However, in many situations, the end goal is to identify changes (shifts) in causal mechanisms between related SCMs rather than recovering the entire underlying DAG structure. Examples include analyzing gene regulatory network structure changes between healthy and cancerous individuals or understanding variations in biological pathways under different cellular contexts. This paper focuses on identifying functional mechanism shifts in two or more related SCMs over the same set of variables -- without estimating the entire DAG structure of each SCM. Prior work under this setting assumed linear models with Gaussian noises; instead, in this work we assume that each SCM belongs to the more general class of nonlinear additive noise models (ANMs). A key contribution of this work is to show that the Jacobian of the score function for the mixture distribution allows for identification of shifts in general non-parametric functional mechanisms. Once the shifted variables are identified, we leverage recent work to estimate the structural differences, if any, for the shifted variables. Experiments on synthetic and real-world data are provided to showcase the applicability of this approach. 

Structural causal models (SCMs) are widely used in various disciplines to repre- sent causal relationships among variables in complex systems. Unfortunately, the underlying causal structure is often unknown, and estimating it from data remains a challenging task. In many situations, however, the end goal is to localize the changes (shifts) in the causal mechanisms between related datasets instead of learn- ing the full causal structure of the individual datasets. Some applications include root cause analysis, analyzing gene regulatory network structure changes between healthy and cancerous individuals, or explaining distribution shifts. This paper focuses on identifying the causal mechanism shifts in two or more related datasets over the same set of variables—without estimating the entire DAG structure of each SCM. Prior work under this setting assumed linear models with Gaussian noises; instead, in this work we assume that each SCM belongs to the more general class of nonlinear additive noise models (ANMs). A key technical contribution of this work is to show that the Jacobian of the score function for the mixture distribution allows for the identification of shifts under general non-parametric functional mechanisms. Once the shifted variables are identified, we leverage recent work to estimate the structural differences, if any, for the shifted variables. Experiments on synthetic and real-world data are provided to showcase the applicability of this approach. Code implementing the proposed method is open-source and publicly available at https://github.com/kevinsbello/iSCAN.