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Minimax Rates and Spectral Distillation for Tree Ensembles

arXiv.org Machine Learning

Tree ensembles such as random forests (RFs) and gradient boosting machines (GBMs) are among the most widely used supervised learners, yet their theoretical properties remain incompletely understood. We adopt a spectral perspective on these algorithms, with two main contributions. First, we derive minimax-optimal convergence for RF regression, showing that, under mild regularity conditions on tree growth, the eigenvalue decay of the induced kernel operator governs the statistical rate. Second, we exploit this spectral viewpoint to develop compression schemes for tree ensembles. For RFs, leading eigenfunctions of the kernel operator capture the dominant predictive directions; for GBMs, leading singular vectors of the smoother matrix play an analogous role. Learning nonlinear maps for these spectral representations yields distilled models that are orders of magnitude smaller than the originals while maintaining competitive predictive performance. Our methods compare favorably to state of the art algorithms for forest pruning and rule extraction, with applications to resource constrained computing.


DARTS: Targeting Prognostic Covariates in Budget-Constrained Sequential Experiments

arXiv.org Machine Learning

Randomized controlled trials typically assume that prognostic covariates are known and available at no cost. In practice, obtaining high-dimensional pretreatment data is costly, forcing a trade-off between covariate-adaptive precision and a measurement budget. We introduce Dynamic Adaptive Rerandomization via Thompson Sampling (DARTS), which treats covariate acquisition as a sequential optimization problem embedded within a design-based causal inference task. A budgeted combinatorial Thompson sampler learns which covariates are most prognostic across successive batches; selected covariates then drive rerandomization and regression adjustment to reduce batch-level average treatment effect variance. Our primary theoretical contribution is a decoupling result: adaptive covariate selection based on past batches preserves batch-level randomization validity, and the cumulative inverse-variance weighted estimator achieves at least nominal asymptotic coverage. We further derive a Bayes risk bound for the acquisition layer that matches the minimax lower bound up to logarithmic factors. Empirically, DARTS systematically concentrates the budget on informative features, significantly closing the efficiency gap to oracle designs while maintaining strict inferential validity.


Hyper Input Convex Neural Networks for Shape Constrained Learning and Optimal Transport

arXiv.org Machine Learning

We introduce Hyper Input Convex Neural Networks (HyCNNs), a novel neural network architecture designed for learning convex functions. HyCNNs combine the principles of Maxout networks with input convex neural networks (ICNNs) to create a neural network that is always convex in the input, theoretically capable of leveraging depth, and performs reliable when trained at scale compared to ICNNs. Concretely, we prove that HyCNNs require exponentially fewer parameters than ICNNs to approximate quadratic functions up to a given precision. Throughout a series of synthetic experiments, we demonstrate that HyCNNs outperform existing ICNNs and MLPs in terms of predictive performance for convex regression and interpolation tasks. We further apply HyCNNs to learn high-dimensional optimal transport maps for synthetic examples and for single-cell RNA sequencing data, where they oftentimes outperform ICNN-based neural optimal transport methods and other baselines across a wide range of settings.


Supplementary Material for HUMUS Net Hybrid Unrolled Multi Scale Network Architecture for Accelerated Net baseline details

Neural Information Processing Systems

Our default model has 3RSTB-D downsampling blocks, 2RSTB-B bottleneck blocks and 3RSTB-U upsampling blocks with 3 6 12 attention heads in the D/U blocks and 24 attention heads in the bottleneck block. For Swin Transformers layers, the window size is 8 for all methods and MLP ratio (hidden_dim/input_dim) of 2 is used. Each RSTB block consists of 2 STLs with embedding dimension of 66. For HUMUS-Net-L, we increase the embedding dimension to 96. We use 8cascades of unrolling with a U-Net as sensitivity map estimator (same as in E2E-VarNet) with 16channels.


Results

Neural Information Processing Systems

In this section we prove the theoretical results around the dual curriculum game and use these results to show approximation bounds for our methods, given that they have reached a Nash equilibrium (NE). The first theorem is the main result that allows us to analyze dual curriculum games. The high-level result says that the NE of a dual curriculum game are approximate NE of the base game from the perspective of any of the individual players, or from the perspective of the joint strategy. Let Bbe the maximum difference between U1t and U2t, and let (ฯ€,ฮธ1,ฮธ2) be a NE for G. Then (ฯ€,pฮธ1 + (1 p)ฮธ2) is an approximate NE for the base game with either teacher or for a teacher optimizing their joint objective. More precisely, it is a 2Bp(1 p)-approximate NE when Ut = pU1t + (1 p)U2t, a 2B(1 p)-approximate NE when Ut = U1t, and a 2Bp-approximate NE when Ut = U2t. At a high level, this is true because, for low values of p, the best-response strategies for the individual players can be thought of as approximate-best response strategies for the joint-player, and vis-versa. Since the Nash Equilibrium consists of each of the players playing their own best response, they must be playing an approximate best response for the joint-player. We provide a formal proof below: Proof. Let B be the maximum difference between U1t and U2t, and let (ฯ€,ฮธ1,ฮธ2) be a Nash Equilibrium for G. Then consider pฮธ1 + (1 p)ฮธ2 as a strategy in the base game for the joint player pU1t + (1 p)U2t.





CRPS-Optimal Binning for Univariate Conformal Regression

arXiv.org Machine Learning

We propose a method for non-parametric conditional distribution estimation based on partitioning covariate-sorted observations into contiguous bins and using the within-bin empirical CDF as the predictive distribution. Bin boundaries are chosen to minimise the total leave-one-out Continuous Ranked Probability Score (LOO-CRPS), which admits a closed-form cost function with $O(n^2 \log n)$ precomputation and $O(n^2)$ storage; the globally optimal $K$-partition is recovered by a dynamic programme in $O(n^2 K)$ time. Minimisation of within-sample LOO-CRPS turns out to be inappropriate for selecting $K$ as it results in in-sample optimism. We instead select $K$ by $K$-fold cross-validation of test CRPS, which yields a U-shaped criterion with a well-defined minimum. Having selected $K^*$ and fitted the full-data partition, we form two complementary predictive objects: the Venn prediction band and a conformal prediction set based on CRPS as the nonconformity score, which carries a finite-sample marginal coverage guarantee at any prescribed level $\varepsilon$. The conformal prediction is transductive and data-efficient, as all observations are used for both partitioning and p-value calculation, with no need to reserve a hold-out set. On real benchmarks against split-conformal competitors (Gaussian split conformal, CQR, CQR-QRF, and conformalized isotonic distributional regression), the method produces substantially narrower prediction intervals while maintaining near-nominal coverage.