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With the increasing penetration of machine learning applications in critical decision-making areas, calls for algorithmic fairness are more prominent. Although there have been various modalities to improve algorithmic fairness through learning with fairness constraints, their performance does not generalize well in the test set. A performance-promising fair algorithm with better generalizability is needed. This paper proposes a novel adaptive reweighing method to eliminate the impact of the distribution shifts between training and test data on model generalizability. Most previous reweighing methods propose to assign a unified weight for each (sub)group. Rather, our method granularly models the distance from the sample predictions to the decision boundary. Our adaptive reweighing method prioritizes samples closer to the decision boundary and assigns a higher weight to improve the generalizability of fair classifiers. Extensive experiments are performed to validate the generalizability of our adaptive priority reweighing method for accuracy and fairness measures (i.e., equal opportunity, equalized odds, and demographic parity) in tabular benchmarks. We also highlight the performance of our method in improving the fairness of language and vision models. The code is available at //github.com/che2198/APW.

We study treatment effect estimation with functional treatments where the average potential outcome functional is a function of functions, in contrast to continuous treatment effect estimation where the target is a function of real numbers. By considering a flexible scalar-on-function marginal structural model, a weight-modified kernel ridge regression (WMKRR) is adopted for estimation. The weights are constructed by directly minimizing the uniform balancing error resulting from a decomposition of the WMKRR estimator, instead of being estimated under a particular treatment selection model. Despite the complex structure of the uniform balancing error derived under WMKRR, finite-dimensional convex algorithms can be applied to efficiently solve for the proposed weights thanks to a representer theorem. The optimal convergence rate is shown to be attainable by the proposed WMKRR estimator without any smoothness assumption on the true weight function. Corresponding empirical performance is demonstrated by a simulation study and a real data application.

Not being able to understand and predict the behavior of deep learning systems makes it hard to decide what architecture and algorithm to use for a given problem. In science and engineering, modeling is a methodology used to understand complex systems whose internal processes are opaque. Modeling replaces a complex system with a simpler, more interpretable surrogate. Drawing inspiration from this, we construct a class of surrogate models for neural networks using Gaussian processes. Rather than deriving kernels for infinite neural networks, we learn kernels empirically from the naturalistic behavior of finite neural networks. We demonstrate our approach captures existing phenomena related to the spectral bias of neural networks, and then show that our surrogate models can be used to solve practical problems such as identifying which points most influence the behavior of specific neural networks and predicting which architectures and algorithms will generalize well for specific datasets.

Uncertainty quantification and robustness to distribution shifts are important goals in machine learning and artificial intelligence. Although Bayesian Neural Networks (BNNs) allow for uncertainty in the predictions to be assessed, different sources of uncertainty are indistinguishable. We present Imprecise Bayesian Neural Networks (IBNNs); they generalize and overcome some of the drawbacks of standard BNNs. These latter are trained using a single prior and likelihood distributions, whereas IBNNs are trained using credal prior and likelihood sets. They allow to distinguish between aleatoric and epistemic uncertainties, and to quantify them. In addition, IBNNs are more robust than BNNs to prior and likelihood misspecification, and to distribution shift. They can also be used to compute sets of outcomes that enjoy probabilistic guarantees. We apply IBNNs to two case studies. One, for motion prediction in autonomous driving scenarios, and two, to model blood glucose and insulin dynamics for artificial pancreas control. We show that IBNNs performs better when compared to an ensemble of BNNs benchmark.

Improving the alignment of language models with human preferences remains an active research challenge. Previous approaches have primarily utilized Reinforcement Learning from Human Feedback (RLHF) via online RL methods such as Proximal Policy Optimization (PPO). Recently, offline methods such as Sequence Likelihood Calibration (SLiC) and Direct Preference Optimization (DPO) have emerged as attractive alternatives, offering improvements in stability and scalability while maintaining competitive performance. SLiC refines its loss function using sequence pairs sampled from a supervised fine-tuned (SFT) policy, while DPO directly optimizes language models based on preference data, foregoing the need for a separate reward model. However, the maximum likelihood estimator (MLE) of the target optimal policy requires labeled preference pairs sampled from that policy. DPO's lack of a reward model constrains its ability to sample preference pairs from the optimal policy, and SLiC is restricted to sampling preference pairs only from the SFT policy. To address these limitations, we introduce a novel approach called Statistical Rejection Sampling Optimization (RSO) that aims to source preference data from the target optimal policy using rejection sampling, enabling a more accurate estimation of the optimal policy. We also propose a unified framework that enhances the loss functions used in both SLiC and DPO from a preference modeling standpoint. Through extensive experiments across three diverse tasks, we demonstrate that RSO consistently outperforms both SLiC and DPO on evaluations from both Large Language Model (LLM) and human raters.

Many existing transfer learning methods rely on leveraging information from source data that closely resembles the target data. However, this approach often overlooks valuable knowledge that may be present in different yet potentially related auxiliary samples. When dealing with a limited amount of target data and a diverse range of source models, our paper introduces a novel approach, Distributionally Robust Optimization for Transfer Learning (TransDRO), that breaks free from strict similarity constraints. TransDRO is designed to optimize the most adversarial loss within an uncertainty set, defined as a collection of target populations generated as a convex combination of source distributions that guarantee excellent prediction performances for the target data. TransDRO effectively bridges the realms of transfer learning and distributional robustness prediction models. We establish the identifiability of TransDRO and its interpretation as a weighted average of source models closest to the baseline model. We also show that TransDRO achieves a faster convergence rate than the model fitted with the target data. Our comprehensive numerical studies and analysis of multi-institutional electronic health records data using TransDRO further substantiate the robustness and accuracy of TransDRO, highlighting its potential as a powerful tool in transfer learning applications.

The aim of this work is to develop a fully-distributed algorithmic framework for training graph convolutional networks (GCNs). The proposed method is able to exploit the meaningful relational structure of the input data, which are collected by a set of agents that communicate over a sparse network topology. After formulating the centralized GCN training problem, we first show how to make inference in a distributed scenario where the underlying data graph is split among different agents. Then, we propose a distributed gradient descent procedure to solve the GCN training problem. The resulting model distributes computation along three lines: during inference, during back-propagation, and during optimization. Convergence to stationary solutions of the GCN training problem is also established under mild conditions. Finally, we propose an optimization criterion to design the communication topology between agents in order to match with the graph describing data relationships. A wide set of numerical results validate our proposal. To the best of our knowledge, this is the first work combining graph convolutional neural networks with distributed optimization.

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn node representations on the fixed and homogeneous graphs. The limitations especially become problematic when learning representations on a misspecified graph or a heterogeneous graph that consists of various types of nodes and edges. In this paper, we propose Graph Transformer Networks (GTNs) that are capable of generating new graph structures, which involve identifying useful connections between unconnected nodes on the original graph, while learning effective node representation on the new graphs in an end-to-end fashion. Graph Transformer layer, a core layer of GTNs, learns a soft selection of edge types and composite relations for generating useful multi-hop connections so-called meta-paths. Our experiments show that GTNs learn new graph structures, based on data and tasks without domain knowledge, and yield powerful node representation via convolution on the new graphs. Without domain-specific graph preprocessing, GTNs achieved the best performance in all three benchmark node classification tasks against the state-of-the-art methods that require pre-defined meta-paths from domain knowledge.

This paper proposes a method to modify traditional convolutional neural networks (CNNs) into interpretable CNNs, in order to clarify knowledge representations in high conv-layers of CNNs. In an interpretable CNN, each filter in a high conv-layer represents a certain object part. We do not need any annotations of object parts or textures to supervise the learning process. Instead, the interpretable CNN automatically assigns each filter in a high conv-layer with an object part during the learning process. Our method can be applied to different types of CNNs with different structures. The clear knowledge representation in an interpretable CNN can help people understand the logics inside a CNN, i.e., based on which patterns the CNN makes the decision. Experiments showed that filters in an interpretable CNN were more semantically meaningful than those in traditional CNNs.

The dominant sequence transduction models are based on complex recurrent or convolutional neural networks in an encoder-decoder configuration. The best performing models also connect the encoder and decoder through an attention mechanism. We propose a new simple network architecture, the Transformer, based solely on attention mechanisms, dispensing with recurrence and convolutions entirely. Experiments on two machine translation tasks show these models to be superior in quality while being more parallelizable and requiring significantly less time to train. Our model achieves 28.4 BLEU on the WMT 2014 English-to-German translation task, improving over the existing best results, including ensembles by over 2 BLEU. On the WMT 2014 English-to-French translation task, our model establishes a new single-model state-of-the-art BLEU score of 41.8 after training for 3.5 days on eight GPUs, a small fraction of the training costs of the best models from the literature. We show that the Transformer generalizes well to other tasks by applying it successfully to English constituency parsing both with large and limited training data.