Enhancing Performance of Explainable AI Models with Constrained Concept Refinement

The trade-off between accuracy and interpretability has long been a challenge in machine learning (ML). This tension is particularly significant for emerging interpretable-by-design methods, which aim to redesign ML algorithms for trustworthy interpretability but often sacrifice accuracy in the process. In this paper, we address this gap by investigating the impact of deviations in concept representations-an essential component of interpretable models-on prediction performance and propose a novel framework to mitigate these effects. The framework builds on the principle of optimizing concept embeddings under constraints that preserve interpretability. Using a generative model as a test-bed, we rigorously prove that our algorithm achieves zero loss while progressively enhancing the interpretability of the resulting model. Additionally, we evaluate the practical performance of our proposed framework in generating explainable predictions for image classification tasks across various benchmarks. Compared to existing explainable methods, our approach not only improves prediction accuracy while preserving model interpretability across various large-scale benchmarks but also achieves this with significantly lower computational cost.

Convergence of Gradient Descent with Small Initialization for Unregularized Matrix Completion

We study the problem of symmetric matrix completion, where the goal is to reconstruct a positive semidefinite matrix $\rm{X}^\star \in \mathbb{R}^{d\times d}$ of rank-$r$, parameterized by $\rm{U}\rm{U}^{\top}$, from only a subset of its observed entries. We show that the vanilla gradient descent (GD) with small initialization provably converges to the ground truth $\rm{X}^\star$ without requiring any explicit regularization. This convergence result holds true even in the over-parameterized scenario, where the true rank $r$ is unknown and conservatively over-estimated by a search rank $r'\gg r$. The existing results for this problem either require explicit regularization, a sufficiently accurate initial point, or exact knowledge of the true rank $r$. In the over-parameterized regime where $r'\geq r$, we show that, with $\widetilde\Omega(dr^9)$ observations, GD with an initial point $\|\rm{U}_0\| \leq \epsilon$ converges near-linearly to an $\epsilon$-neighborhood of $\rm{X}^\star$. Consequently, smaller initial points result in increasingly accurate solutions. Surprisingly, neither the convergence rate nor the final accuracy depends on the over-parameterized search rank $r'$, and they are only governed by the true rank $r$. In the exactly-parameterized regime where $r'=r$, we further enhance this result by proving that GD converges at a faster rate to achieve an arbitrarily small accuracy $\epsilon>0$, provided the initial point satisfies $\|\rm{U}_0\| = O(1/d)$. At the crux of our method lies a novel weakly-coupled leave-one-out analysis, which allows us to establish the global convergence of GD, extending beyond what was previously possible using the classical leave-one-out analysis.

Solution Path of Time-varying Markov Random Fields with Discrete Regularization

We study the problem of inferring sparse time-varying Markov random fields (MRFs) with different discrete and temporal regularizations on the parameters. Due to the intractability of discrete regularization, most approaches for solving this problem rely on the so-called maximum-likelihood estimation (MLE) with relaxed regularization, which neither results in ideal statistical properties nor scale to the dimensions encountered in realistic settings. In this paper, we address these challenges by departing from the MLE paradigm and resorting to a new class of constrained optimization problems with exact, discrete regularization to promote sparsity in the estimated parameters. Despite the nonconvex and discrete nature of our formulation, we show that it can be solved efficiently and parametrically for all sparsity levels. More specifically, we show that the entire solution path of the time-varying MRF for all sparsity levels can be obtained in $\mathcal{O}(pT^3)$, where $T$ is the number of time steps and $p$ is the number of unknown parameters at any given time. The efficient and parametric characterization of the solution path renders our approach highly suitable for cross-validation, where parameter estimation is required for varying regularization values. Despite its simplicity and efficiency, we show that our proposed approach achieves provably small estimation error for different classes of time-varying MRFs, namely Gaussian and discrete MRFs, with as few as one sample per time. Utilizing our algorithm, we can recover the complete solution path for instances of time-varying MRFs featuring over 30 million variables in less than 12 minutes on a standard laptop computer. Our code is available at \url{https://sites.google.com/usc.edu/gomez/data}.

Personalized Dictionary Learning for Heterogeneous Datasets

We introduce a relevant yet challenging problem named Personalized Dictionary Learning (PerDL), where the goal is to learn sparse linear representations from heterogeneous datasets that share some commonality. In PerDL, we model each dataset's shared and unique features as global and local dictionaries. Challenges for PerDL not only are inherited from classical dictionary learning (DL), but also arise due to the unknown nature of the shared and unique features. In this paper, we rigorously formulate this problem and provide conditions under which the global and local dictionaries can be provably disentangled. Under these conditions, we provide a meta-algorithm called Personalized Matching and Averaging (PerMA) that can recover both global and local dictionaries from heterogeneous datasets. PerMA is highly efficient; it converges to the ground truth at a linear rate under suitable conditions. Moreover, it automatically borrows strength from strong learners to improve the prediction of weak learners. As a general framework for extracting global and local dictionaries, we show the application of PerDL in different learning tasks, such as training with imbalanced datasets and video surveillance.

Robust Sparse Mean Estimation via Incremental Learning

In this paper, we study the problem of robust sparse mean estimation, where the goal is to estimate a $k$-sparse mean from a collection of partially corrupted samples drawn from a heavy-tailed distribution. Existing estimators face two critical challenges in this setting. First, they are limited by a conjectured computational-statistical tradeoff, implying that any computationally efficient algorithm needs $\tilde\Omega(k^2)$ samples, while its statistically-optimal counterpart only requires $\tilde O(k)$ samples. Second, the existing estimators fall short of practical use as they scale poorly with the ambient dimension. This paper presents a simple mean estimator that overcomes both challenges under moderate conditions: it runs in near-linear time and memory (both with respect to the ambient dimension) while requiring only $\tilde O(k)$ samples to recover the true mean. At the core of our method lies an incremental learning phenomenon: we introduce a simple nonconvex framework that can incrementally learn the top-$k$ nonzero elements of the mean while keeping the zero elements arbitrarily small. Unlike existing estimators, our method does not need any prior knowledge of the sparsity level $k$. We prove the optimality of our estimator by providing a matching information-theoretic lower bound. Finally, we conduct a series of simulations to corroborate our theoretical findings. Our code is available at https://github.com/huihui0902/Robust_mean_estimation.

On the Optimization Landscape of Burer-Monteiro Factorization: When do Global Solutions Correspond to Ground Truth?

In low-rank matrix recovery, the goal is to recover a low-rank matrix, given a limited number of linear and possibly noisy measurements. Low-rank matrix recovery is typically solved via a nonconvex method called Burer-Monteiro factorization (BM). If the rank of the ground truth is known, BM is free of sub-optimal local solutions, and its true solutions coincide with the global solutions -- that is, the true solutions are identifiable. When the rank of the ground truth is unknown, it must be over-estimated, giving rise to an over-parameterized BM. In the noiseless regime, it is recently shown that over-estimation of the rank leads to progressively fewer sub-optimal local solutions while preserving the identifiability of the true solutions. In this work, we show that with noisy measurements, the global solutions of the over-parameterized BM no longer correspond to the true solutions, essentially transmuting over-parameterization from blessing to curse. In particular, we study two classes of low-rank matrix recovery, namely matrix completion and matrix sensing. For matrix completion, we show that even if the rank is only slightly over-estimated and with very mild assumptions on the noise, none of the true solutions are local or global solutions. For matrix sensing, we show that to guarantee the correspondence between global and true solutions, it is necessary and sufficient for the number of samples to scale linearly with the over-estimated rank, which can be drastically larger than its optimal sample complexity that only scales with the true rank.

Simple Alternating Minimization Provably Solves Complete Dictionary Learning

This paper focuses on complete dictionary learning problem, where the goal is to reparametrize a set of given signals as linear combinations of atoms from a learned dictionary. There are two main challenges faced by theoretical and practical studies of dictionary learning: the lack of theoretical guarantees for practically-used heuristic algorithms, and their poor scalability when dealing with huge-scale datasets. Towards addressing these issues, we show that when the dictionary to be learned is orthogonal, that an alternating minimization method directly applied to the nonconvex and discrete formulation of the problem exactly recovers the ground truth. For the huge-scale, potentially online setting, we propose a minibatch version of our algorithm, which can provably learn a complete dictionary from a huge-scale dataset with minimal sample complexity, linear sparsity level, and linear convergence rate, thereby negating the need for any convex relaxation for the problem. Our numerical experiments showcase the superiority of our method compared with the existing techniques when applied to tasks on real data.

Behind the Scenes of Gradient Descent: A Trajectory Analysis via Basis Function Decomposition

This work analyzes the solution trajectory of gradient-based algorithms via a novel basis function decomposition. We show that, although solution trajectories of gradient-based algorithms may vary depending on the learning task, they behave almost monotonically when projected onto an appropriate orthonormal function basis. Such projection gives rise to a basis function decomposition of the solution trajectory. Theoretically, we use our proposed basis function decomposition to establish the convergence of gradient descent (GD) on several representative learning tasks. In particular, we improve the convergence of GD on symmetric matrix factorization and provide a completely new convergence result for the orthogonal symmetric tensor decomposition. Empirically, we illustrate the promise of our proposed framework on realistic deep neural networks (DNNs) across different architectures, gradient-based solvers, and datasets. Our key finding is that gradient-based algorithms monotonically learn the coefficients of a particular orthonormal function basis of DNNs defined as the eigenvectors of the conjugate kernel after training. Our code is available at https://github.com/jianhaoma/function-basis-decomposition.

Blessing of Nonconvexity in Deep Linear Models: Depth Flattens the Optimization Landscape Around the True Solution

This work characterizes the effect of depth on the optimization landscape of linear regression, showing that, despite their nonconvexity, deeper models have more desirable optimization landscape. We consider a robust and over-parameterized setting, where a subset of measurements are grossly corrupted with noise and the true linear model is captured via an $N$-layer linear neural network. On the negative side, we show that this problem \textit{does not} have a benign landscape: given any $N\geq 1$, with constant probability, there exists a solution corresponding to the ground truth that is neither local nor global minimum. However, on the positive side, we prove that, for any $N$-layer model with $N\geq 2$, a simple sub-gradient method becomes oblivious to such ``problematic'' solutions; instead, it converges to a balanced solution that is not only close to the ground truth but also enjoys a flat local landscape, thereby eschewing the need for "early stopping". Lastly, we empirically verify that the desirable optimization landscape of deeper models extends to other robust learning tasks, including deep matrix recovery and deep ReLU networks with $\ell_1$-loss.

Efficient Inference of Spatially-varying Gaussian Markov Random Fields with Applications in Gene Regulatory Networks

In this paper, we study the problem of inferring spatially-varying Gaussian Markov random fields (SV-GMRF) where the goal is to learn a network of sparse, context-specific GMRFs representing network relationships between genes. An important application of SV-GMRFs is in inference of gene regulatory networks from spatially-resolved transcriptomics datasets. The current work on inference of SV-GMRFs are based on the regularized maximum likelihood estimation (MLE) and suffer from overwhelmingly high computational cost due to their highly nonlinear nature. To alleviate this challenge, we propose a simple and efficient optimization problem in lieu of MLE that comes equipped with strong statistical and computational guarantees. Our proposed optimization problem is extremely efficient in practice: we can solve instances of SV-GMRFs with more than 2 million variables in less than 2 minutes. We apply the developed framework to study how gene regulatory networks in Glioblastoma are spatially rewired within tissue, and identify prominent activity of the transcription factor HES4 and ribosomal proteins as characterizing the gene expression network in the tumor peri-vascular niche that is known to harbor treatment resistant stem cells.