Offline Model-Based Optimization by Learning to Rank

Offline model-based optimization (MBO) aims to identify a design that maximizes a black-box function using only a fixed, pre-collected dataset of designs and their corresponding scores. A common approach in offline MBO is to train a regression-based surrogate model by minimizing mean squared error (MSE) and then find the best design within this surrogate model by different optimizers (e.g., gradient ascent). However, a critical challenge is the risk of out-of-distribution errors, i.e., the surrogate model may typically overestimate the scores and mislead the optimizers into suboptimal regions. Prior works have attempted to address this issue in various ways, such as using regularization techniques and ensemble learning to enhance the robustness of the model, but it still remains. In this paper, we argue that regression models trained with MSE are not well-aligned with the primary goal of offline MBO, which is to select promising designs rather than to predict their scores precisely. Notably, if a surrogate model can maintain the order of candidate designs based on their relative score relationships, it can produce the best designs even without precise predictions. To validate it, we conduct experiments to compare the relationship between the quality of the final designs and MSE, finding that the correlation is really very weak. In contrast, a metric that measures order-maintaining quality shows a significantly stronger correlation. Based on this observation, we propose learning a ranking-based model that leverages learning to rank techniques to prioritize promising designs based on their relative scores. We show that the generalization error on ranking loss can be well bounded. Empirical results across diverse tasks demonstrate the superior performance of our proposed ranking-based models than twenty existing methods.

Mask-Encoded Sparsification: Mitigating Biased Gradients in Communication-Efficient Split Learning

This paper introduces a novel framework designed to achieve a high compression ratio in Split Learning (SL) scenarios where resource-constrained devices are involved in large-scale model training. Our investigations demonstrate that compressing feature maps within SL leads to biased gradients that can negatively impact the convergence rates and diminish the generalization capabilities of the resulting models. Our theoretical analysis provides insights into how compression errors critically hinder SL performance, which previous methodologies underestimate. To address these challenges, we employ a narrow bit-width encoded mask to compensate for the sparsification error without increasing the order of time complexity. Supported by rigorous theoretical analysis, our framework significantly reduces compression errors and accelerates the convergence. Extensive experiments also verify that our method outperforms existing solutions regarding training efficiency and communication complexity.

The Role of Depth, Width, and Tree Size in Expressiveness of Deep Forest

Random forests are classical ensemble algorithms that construct multiple randomized decision trees and aggregate their predictions using naive averaging. \citet{zhou2019deep} further propose a deep forest algorithm with multi-layer forests, which outperforms random forests in various tasks. The performance of deep forests is related to three hyperparameters in practice: depth, width, and tree size, but little has been known about its theoretical explanation. This work provides the first upper and lower bounds on the approximation complexity of deep forests concerning the three hyperparameters. Our results confirm the distinctive role of depth, which can exponentially enhance the expressiveness of deep forests compared with width and tree size. Experiments confirm the theoretical findings.

Confidence-aware Contrastive Learning for Selective Classification

Selective classification enables models to make predictions only when they are sufficiently confident, aiming to enhance safety and reliability, which is important in high-stakes scenarios. Previous methods mainly use deep neural networks and focus on modifying the architecture of classification layers to enable the model to estimate the confidence of its prediction. This work provides a generalization bound for selective classification, disclosing that optimizing feature layers helps improve the performance of selective classification. Inspired by this theory, we propose to explicitly improve the selective classification model at the feature level for the first time, leading to a novel Confidence-aware Contrastive Learning method for Selective Classification, CCL-SC, which similarizes the features of homogeneous instances and differentiates the features of heterogeneous instances, with the strength controlled by the model's confidence. The experimental results on typical datasets, i.e., CIFAR-10, CIFAR-100, CelebA, and ImageNet, show that CCL-SC achieves significantly lower selective risk than state-of-the-art methods, across almost all coverage degrees. Moreover, it can be combined with existing methods to bring further improvement.

Interpreting Deep Forest through Feature Contribution and MDI Feature Importance

Deep forest is a non-differentiable deep model which has achieved impressive empirical success across a wide variety of applications, especially on categorical/symbolic or mixed modeling tasks. Many of the application fields prefer explainable models, such as random forests with feature contributions that can provide local explanation for each prediction, and Mean Decrease Impurity (MDI) that can provide global feature importance. However, deep forest, as a cascade of random forests, possesses interpretability only at the first layer. From the second layer on, many of the tree splits occur on the new features generated by the previous layer, which makes existing explanatory tools for random forests inapplicable. To disclose the impact of the original features in the deep layers, we design a calculation method with an estimation step followed by a calibration step for each layer, and propose our feature contribution and MDI feature importance calculation tools for deep forest. Experimental results on both simulated data and real world data verify the effectiveness of our methods.