A Complete Decomposition of KL Error using Refined Information and Mode Interaction Selection

The log-linear model has received a significant amount of theoretical attention in previous decades and remains the fundamental tool used for learning probability distributions over discrete variables. Despite its large popularity in statistical mechanics and high-dimensional statistics, the vast majority of such energy-based modeling approaches only focus on the two-variable relationships, such as Boltzmann machines and Markov graphical models. Although these approaches have easier-to-solve structure learning problems and easier-to-optimize parametric distributions, they often ignore the rich structure which exists in the higher-order interactions between different variables. Using more recent tools from the field of information geometry, we revisit the classical formulation of the log-linear model with a focus on higher-order mode interactions, going beyond the 1-body modes of independent distributions and the 2-body modes of Boltzmann distributions. This perspective allows us to define a complete decomposition of the KL error. This then motivates the formulation of a sparse selection problem over the set of possible mode interactions. In the same way as sparse graph selection allows for better generalization, we find that our learned distributions are able to more efficiently use the finite amount of data which is available in practice. On both synthetic and real-world datasets, we demonstrate our algorithm's effectiveness in maximizing the log-likelihood for the generative task and also the ease of adaptability to the discriminative task of classification.

Pseudo-Non-Linear Data Augmentation via Energy Minimization

We propose a novel and interpretable data augmentation method based on energy-based modeling and principles from information geometry. Unlike black-box generative models, which rely on deep neural networks, our approach replaces these non-interpretable transformations with explicit, theoretically grounded ones, ensuring interpretability and strong guarantees such as energy minimization. Central to our method is the introduction of the backward projection algorithm, which reverses dimension reduction to generate new data. Empirical results demonstrate that our method achieves competitive performance with black-box generative models while offering greater transparency and interpretability.

Linear Mode Connectivity in Differentiable Tree Ensembles

Linear Mode Connectivity (LMC) refers to the phenomenon that performance remains consistent for linearly interpolated models in the parameter space. For independently optimized model pairs from different random initializations, achieving LMC is considered crucial for validating the stable success of the non-convex optimization in modern machine learning models and for facilitating practical parameter-based operations such as model merging. While LMC has been achieved for neural networks by considering the permutation invariance of neurons in each hidden layer, its attainment for other models remains an open question. In this paper, we first achieve LMC for soft tree ensembles, which are tree-based differentiable models extensively used in practice. We show the necessity of incorporating two invariances: subtree flip invariance and splitting order invariance, which do not exist in neural networks but are inherent to tree architectures, in addition to permutation invariance of trees. Moreover, we demonstrate that it is even possible to exclude such additional invariances while keeping LMC by designing decision list-based tree architectures, where such invariances do not exist by definition. Our findings indicate the significance of accounting for architecture-specific invariances in achieving LMC.

StiefelGen: A Simple, Model Agnostic Approach for Time Series Data Augmentation over Riemannian Manifolds

Data augmentation is an area of research which has seen active development in many machine learning fields, such as in image-based learning models, reinforcement learning for self driving vehicles, and general noise injection for point cloud data. However, convincing methods for general time series data augmentation still leaves much to be desired, especially since the methods developed for these models do not readily cross-over. Three common approaches for time series data augmentation include: (i) Constructing a physics-based model and then imbuing uncertainty over the coefficient space (for example), (ii) Adding noise to the observed data set(s), and, (iii) Having access to ample amounts of time series data sets from which a robust generative neural network model can be trained. However, for many practical problems that work with time series data in the industry: (i) One usually does not have access to a robust physical model, (ii) The addition of noise can in of itself require large or difficult assumptions (for example, what probability distribution should be used? Or, how large should the noise variance be?), and, (iii) In practice, it can be difficult to source a large representative time series data base with which to train the neural network model for the underlying problem. In this paper, we propose a methodology which attempts to simultaneously tackle all three of these previous limitations to a large extent. The method relies upon the well-studied matrix differential geometry of the Stiefel manifold, as it proposes a simple way in which time series signals can placed on, and then smoothly perturbed over the manifold. We attempt to clarify how this method works by showcasing several potential use cases which in particular work to take advantage of the unique properties of this underlying manifold.

Many-Body Approximation for Tensors

We propose a nonnegative tensor decomposition with focusing on the relationship between the modes of tensors. Traditional decomposition methods assume low-rankness in the representation, resulting in difficulties in global optimization and target rank selection. To address these problems, we present an alternative way to decompose tensors, a many-body approximation for tensors, based on an information geometric formulation. A tensor is treated via an energy-based model, where the tensor and its mode correspond to a probability distribution and a random variable, respectively, and many-body approximation is performed on it by taking the interaction between variables into account. Our model can be globally optimized in polynomial time in terms of the KL divergence minimization, which is empirically faster than low-rank approximations keeping comparable reconstruction error. Furthermore, we visualize interactions between modes as tensor networks and reveal a nontrivial relationship between many-body approximation and low-rank approximation.

A Neural Tangent Kernel Formula for Ensembles of Soft Trees with Arbitrary Architectures

A soft tree is an actively studied variant of a decision tree that updates splitting rules using the gradient method. Although it can have various tree architectures, the theoretical properties of their impact are not well known. In this paper, we formulate and analyze the Neural Tangent Kernel (NTK) induced by soft tree ensembles for arbitrary tree architectures. This kernel leads to the remarkable finding that only the number of leaves at each depth is relevant for the tree architecture in ensemble learning with infinitely many trees. In other words, if the number of leaves at each depth is fixed, the training behavior in function space and the generalization performance are exactly the same across different tree architectures, even if they are not isomorphic. We also show that the NTK of asymmetric trees like decision lists does not degenerate when they get infinitely deep. This is in contrast to the perfect binary trees, whose NTK is known to degenerate and leads to worse generalization performance for deeper trees.

Fast Rank-1 NMF for Missing Data with KL Divergence

We propose a fast non-gradient based method of rank-1 non-negative matrix factorization (NMF) for missing data, called A1GM, that minimizes the KL divergence from an input matrix to the reconstructed rank-1 matrix. Our method is based on our new finding of an analytical closed-formula of the best rank-1 non-negative multiple matrix factorization (NMMF), a variety of NMF. NMMF is known to exactly solve NMF for missing data if positions of missing values satisfy a certain condition, and A1GM transforms a given matrix so that the analytical solution to NMMF can be applied. We empirically show that A1GM is more efficient than a gradient method with competitive reconstruction errors.

A Neural Tangent Kernel Perspective of Infinite Tree Ensembles

In practical situations, the ensemble tree model is one of the most popular models along with neural networks. A soft tree is one of the variants of a decision tree. Instead of using a greedy method for searching splitting rules, the soft tree is trained using a gradient method in which the whole splitting operation is formulated in a differentiable form. Although ensembles of such soft trees have been increasingly used in recent years, little theoretical work has been done for understanding their behavior. In this paper, by considering an ensemble of infinite soft trees, we introduce and study the Tree Neural Tangent Kernel (TNTK), which provides new insights into the behavior of the infinite ensemble of soft trees. Using the TNTK, we succeed in theoretically finding several non-trivial properties, such as the effect of the oblivious tree structure and the degeneracy of the TNTK induced by the deepening of the trees. Moreover, we empirically examine the performance of an ensemble of infinite soft trees using the TNTK.

Unintended Effects on Adaptive Learning Rate for Training Neural Network with Output Scale Change

A multiplicative constant scaling factor is often applied to the model output to adjust the dynamics of neural network parameters. This has been used as one of the key interventions in an empirical study of lazy and active behavior. However, we show that the combination of such scaling and a commonly used adaptive learning rate optimizer strongly affects the training behavior of the neural network. This is problematic as it can cause \emph{unintended behavior} of neural networks, resulting in the misinterpretation of experimental results. Specifically, for some scaling settings, the effect of the adaptive learning rate disappears or is strongly influenced by the scaling factor. To avoid the unintended effect, we present a modification of an optimization algorithm and demonstrate remarkable differences between adaptive learning rate optimization and simple gradient descent, especially with a small ($<1.0$) scaling factor.

A Closed Form Solution to Best Rank-1 Tensor Approximation via KL divergence Minimization

Tensor decomposition is a fundamentally challenging problem. Even the simplest case of tensor decomposition, the rank-1 approximation in terms of the Least Squares (LS) error, is known to be NP-hard. Here, we show that, if we consider the KL divergence instead of the LS error, we can analytically derive a closed form solution for the rank-1 tensor that minimizes the KL divergence from a given positive tensor. Our key insight is to treat a positive tensor as a probability distribution and formulate the process of rank-1 approximation as a projection onto the set of rank-1 tensors. This enables us to solve rank-1 approximation by convex optimization. We empirically demonstrate that our algorithm is an order of magnitude faster than the existing rank-1 approximation methods and gives better approximation of given tensors, which supports our theoretical finding.