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What Functions Does XGBoost Learn?

Ki, Dohyeong, Guntuboyina, Adityanand

arXiv.org Machine Learning

This paper establishes a rigorous theoretical foundation for the function class implicitly learned by XGBoost, bridging the gap between its empirical success and our theoretical understanding. We introduce an infinite-dimensional function class $\mathcal{F}^{d, s}_{\infty-\text{ST}}$ that extends finite ensembles of bounded-depth regression trees, together with a complexity measure $V^{d, s}_{\infty-\text{XGB}}(\cdot)$ that generalizes the $L^1$ regularization penalty used in XGBoost. We show that every optimizer of the XGBoost objective is also an optimizer of an equivalent penalized regression problem over $\mathcal{F}^{d, s}_{\infty-\text{ST}}$ with penalty $V^{d, s}_{\infty-\text{XGB}}(\cdot)$, providing an interpretation of XGBoost as implicitly targeting a broader function class. We also develop a smoothness-based interpretation of $\mathcal{F}^{d, s}_{\infty-\text{ST}}$ and $V^{d, s}_{\infty-\text{XGB}}(\cdot)$ in terms of Hardy--Krause variation. We prove that the least squares estimator over $\{f \in \mathcal{F}^{d, s}_{\infty-\text{ST}}: V^{d, s}_{\infty-\text{XGB}}(f) \le V\}$ achieves a nearly minimax-optimal rate of convergence $n^{-2/3} (\log n)^{4(\min(s, d) - 1)/3}$, thereby avoiding the curse of dimensionality. Our results provide the first rigorous characterization of the function space underlying XGBoost, clarify its connection to classical notions of variation, and identify an important open problem: whether the XGBoost algorithm itself achieves minimax optimality over this class.


On detection probabilities of link invariants

Kelomäki, Tuomas, Lacabanne, Abel, Tubbenhauer, Daniel, Vaz, Pedro, Zhang, Victor L.

arXiv.org Artificial Intelligence

We prove that the detection rate of n-crossing alternating links by many standard link invariants decays exponentially in n, implying that they detect alternating links with probability zero. This phenomenon applies broadly, in particular to the Jones and HOMFLYPT polynomials and integral Khovanov homology. We also use a big-data approach to analyze knots and provide evidence that, for knots as well, these invariants exhibit the same asymptotic failure of detection.






Gradient Flossing: Improving Gradient Descent through Dynamic Control of Jacobians

Neural Information Processing Systems

Training recurrent neural networks (RNNs) remains a challenge due to the instability of gradients across long time horizons, which can lead to exploding and vanishing gradients. Recent research has linked these problems to the values of Lyapunov exponents for the forward-dynamics, which describe the growth or shrinkage of infinitesimal perturbations. Here, we propose gradient flossing, a novel approach to tackling gradient instability by pushing Lyapunov exponents of the forward dynamics toward zero during learning.



Infinite-Dimensional Operator/Block Kaczmarz Algorithms: Regret Bounds and $λ$-Effectiveness

Jeong, Halyun, Jorgensen, Palle E. T., Kwon, Hyun-Kyoung, Song, Myung-Sin

arXiv.org Machine Learning

We present a variety of projection-based linear regression algorithms with a focus on modern machine-learning models and their algorithmic performance. We study the role of the relaxation parameter in generalized Kaczmarz algorithms and establish a priori regret bounds with explicit $λ$-dependence to quantify how much an algorithm's performance deviates from its optimal performance. A detailed analysis of relaxation parameter is also provided. Applications include: explicit regret bounds for the framework of Kaczmarz algorithm models, non-orthogonal Fourier expansions, and the use of regret estimates in modern machine learning models, including for noisy data, i.e., regret bounds for the noisy Kaczmarz algorithms. Motivated by machine-learning practice, our wider framework treats bounded operators (on infinite-dimensional Hilbert spaces), with updates realized as (block) Kaczmarz algorithms, leading to new and versatile results.


Barron Space Representations for Elliptic PDEs with Homogeneous Boundary Conditions

Chen, Ziang, Huang, Liqiang

arXiv.org Artificial Intelligence

We study the approximation complexity of high-dimensional second-order elliptic PDEs with homogeneous boundary conditions on the unit hypercube, within the framework of Barron spaces. Under the assumption that the coefficients belong to suitably defined Barron spaces, we prove that the solution can be efficiently approximated by two-layer neural networks, circumventing the curse of dimensionality. Our results demonstrate the expressive power of shallow networks in capturing high-dimensional PDE solutions under appropriate structural assumptions.