Population synthesis consists of generating synthetic but realistic representations of a target population of micro-agents for the purpose of behavioral modeling and simulation. We introduce a new framework based on copulas to generate synthetic data for a target population of which only the empirical marginal distributions are known by using a sample from another population sharing similar marginal dependencies. This makes it possible to include a spatial component in the generation of population synthesis and to combine various sources of information to obtain more realistic population generators. Specifically, we normalize the data and treat them as realizations of a given copula, and train a generative model on the normalized data before injecting the information on the marginals. We compare the copulas framework to IPF and to modern probabilistic approaches such as Bayesian networks, variational auto-encoders, and generative adversarial networks. We also illustrate on American Community Survey data that the method proposed allows to study the structure of the data at different geographical levels in a way that is robust to the peculiarities of the marginal distributions.

Ensuring trustworthiness in machine learning (ML) models is a multi-dimensional task. In addition to the traditional notion of predictive performance, other notions such as privacy, fairness, robustness to distribution shift, adversarial robustness, interpretability, explainability, and uncertainty quantification are important considerations to evaluate and improve (if deficient). However, these sub-disciplines or 'pillars' of trustworthiness have largely developed independently, which has limited us from understanding their interactions in real-world ML pipelines. In this paper, focusing specifically on compositions of functions arising from the different pillars, we aim to reduce this gap, develop new insights for trustworthy ML, and answer questions such as the following. Does the composition of multiple fairness interventions result in a fairer model compared to a single intervention? How do bias mitigation algorithms for fairness affect local post-hoc explanations? Does a defense algorithm for untargeted adversarial attacks continue to be effective when composed with a privacy transformation? Toward this end, we report initial empirical results and new insights from 9 different compositions of functions (or pipelines) on 7 real-world datasets along two trustworthy dimensions - fairness and explainability. We also report progress, and implementation choices, on an extensible composer tool to encourage the combination of functionalities from multiple pillars. To-date, the tool supports bias mitigation algorithms for fairness and post-hoc explainability methods. We hope this line of work encourages the thoughtful consideration of multiple pillars when attempting to formulate and resolve a trustworthiness problem.

Understanding how different classes are distributed in an unlabeled data set is an important challenge for the calibration of probabilistic classifiers and uncertainty quantification. Approaches like adjusted classify and count, black-box shift estimators, and invariant ratio estimators use an auxiliary (and potentially biased) black-box classifier trained on a different (shifted) data set to estimate the class distribution and yield asymptotic guarantees under weak assumptions. We demonstrate that all these algorithms are closely related to the inference in a particular Bayesian model, approximating the assumed ground-truth generative process. Then, we discuss an efficient Markov Chain Monte Carlo sampling scheme for the introduced model and show an asymptotic consistency guarantee in the large-data limit. We compare the introduced model against the established point estimators in a variety of scenarios, and show it is competitive, and in some cases superior, with the state of the art.

Federated Learning (FL) is a nascent decentralized learning framework under which a massive collection of heterogeneous clients collaboratively train a model without revealing their local data. Scarce communication, privacy leakage, and Byzantine attacks are the key bottlenecks of system scalability. In this paper, we focus on communication-efficient distributed (stochastic) gradient descent for non-convex optimization, a driving force of FL. We propose two algorithms, named {\em Adaptive Stochastic Sign SGD (Ada-StoSign)} and {\em $\beta$-Stochastic Sign SGD ($\beta$-StoSign)}, each of which compresses the local gradients into bit vectors. To handle unbounded gradients, Ada-StoSign uses a novel norm tracking function that adaptively adjusts a coarse estimation on the $\ell_{\infty}$ of the local gradients - a key parameter used in gradient compression. We show that Ada-StoSign converges in expectation with a rate $O(\log T/\sqrt{T} + 1/\sqrt{M})$, where $M$ is the number of clients. To the best of our knowledge, when $M$ is sufficiently large, Ada-StoSign outperforms the state-of-the-art sign-based method whose convergence rate is $O(T^{-1/4})$. Under bounded gradient assumption, $\beta$-StoSign achieves quantifiable Byzantine resilience and privacy assurances, and works with partial client participation and mini-batch gradients which could be unbounded. We corroborate and complement our theories by experiments on MNIST and CIFAR-10 datasets.

Despite a plethora of proposed theories, understanding why deep neural networks are susceptible to adversarial attacks remains an open question. A promising recent strand of research investigates adversarial attacks within the training data distribution, providing a more stringent and worrisome definition for these attacks. These theories posit that the key issue is that in high dimensional datasets, most data points are close to the ground-truth class boundaries. This has been shown in theory for some simple data distributions, but it is unclear if this theory is relevant in practice. Here, we demonstrate the existence of in-distribution adversarial examples for object recognition. This result provides evidence supporting theories attributing adversarial examples to the proximity of data to ground-truth class boundaries, and calls into question other theories which do not account for this more stringent definition of adversarial attacks. These experiments are enabled by our novel gradient-free, evolutionary strategies (ES) based approach for finding in-distribution adversarial examples in 3D rendered objects, which we call CMA-Search.

Structural information of phylogenetic tree topologies plays an important role in phylogenetic inference. However, finding appropriate topological structures for specific phylogenetic inference tasks often requires significant design effort and domain expertise. In this paper, we propose a novel structural representation method for phylogenetic inference based on learnable topological features. By combining the raw node features that minimize the Dirichlet energy with modern graph representation learning techniques, our learnable topological features can provide efficient structural information of phylogenetic trees that automatically adapts to different downstream tasks without requiring domain expertise. We demonstrate the effectiveness and efficiency of our method on a simulated data tree probability estimation task and a benchmark of challenging real data variational Bayesian phylogenetic inference problems. Phylogenetics is an important discipline of computational biology where the goal is to identify the evolutionary history and relationships among individuals or groups of biological entities. In statistical approaches to phylogenetics, this has been formulated as an inference problem on hypotheses of shared history, i.e., phylogenetic trees, based on observed sequence data (e.g., DNA, RNA, or protein sequences) under a model of evolution.

For extreme multi-label classification (XMC), existing classification-based models poorly perform for tail labels and often ignore the semantic relations among labels, like treating "Wikipedia" and "Wiki" as independent and separate labels. In this paper, we cast XMC as a generation task (XLGen), where we benefit from pre-trained text-to-text models. However, generating labels from the extremely large label space is challenging without any constraints or guidance. We, therefore, propose to guide label generation using label cluster information to hierarchically generate lower-level labels. We also find that frequency-based label ordering and using decoding ensemble methods are critical factors for the improvements in XLGen. XLGen with cluster guidance significantly outperforms the classification and generation baselines on tail labels, and also generally improves the overall performance in four popular XMC benchmarks. In human evaluation, we also find XLGen generates unseen but plausible labels. Our code is now available at https://github.com/alexa/xlgen-eacl-2023.

We investigate graph representation learning approaches that enable models to generalize across graphs: given a model trained using the representations from one graph, our goal is to apply inference using those same model parameters when given representations computed over a new graph, unseen during model training, with minimal degradation in inference accuracy. This is in contrast to the more common task of doing inference on the unseen nodes of the same graph. We show that using random projections to estimate multiple powers of the transition matrix allows us to build a set of isomorphism-invariant features that can be used by a variety of tasks. The resulting features can be used to recover enough information about the local neighborhood of a node to enable inference with relevance competitive to other approaches while maintaining computational efficiency.

A multitude of work has shown that machine learning-based medical diagnosis systems can be biased against certain subgroups of people. This has motivated a growing number of bias mitigation algorithms that aim to address fairness issues in machine learning. However, it is difficult to compare their effectiveness in medical imaging for two reasons. First, there is little consensus on the criteria to assess fairness. Second, existing bias mitigation algorithms are developed under different settings, e.g., datasets, model selection strategies, backbones, and fairness metrics, making a direct comparison and evaluation based on existing results impossible. In this work, we introduce MEDFAIR, a framework to benchmark the fairness of machine learning models for medical imaging. MEDFAIR covers eleven algorithms from various categories, nine datasets from different imaging modalities, and three model selection criteria. Through extensive experiments, we find that the under-studied issue of model selection criterion can have a significant impact on fairness outcomes; while in contrast, state-of-the-art bias mitigation algorithms do not significantly improve fairness outcomes over empirical risk minimization (ERM) in both in-distribution and out-of-distribution settings. We evaluate fairness from various perspectives and make recommendations for different medical application scenarios that require different ethical principles. Our framework provides a reproducible and easy-to-use entry point for the development and evaluation of future bias mitigation algorithms in deep learning. Code is available at https://github.com/ys-zong/MEDFAIR.

Large-scale embedding-based retrieval (EBR) is the cornerstone of search-related industrial applications. Given a user query, the system of EBR aims to identify relevant information from a large corpus of documents that may be tens or hundreds of billions in size. The storage and computation turn out to be expensive and inefficient with massive documents and high concurrent queries, making it difficult to further scale up. To tackle the challenge, we propose a binary embedding-based retrieval (BEBR) engine equipped with a recurrent binarization algorithm that enables customized bits per dimension. Specifically, we compress the full-precision query and document embeddings, formulated as float vectors in general, into a composition of multiple binary vectors using a lightweight transformation model with residual multilayer perception (MLP) blocks. We can therefore tailor the number of bits for different applications to trade off accuracy loss and cost savings. Importantly, we enable task-agnostic efficient training of the binarization model using a new embedding-to-embedding strategy. We also exploit the compatible training of binary embeddings so that the BEBR engine can support indexing among multiple embedding versions within a unified system. To further realize efficient search, we propose Symmetric Distance Calculation (SDC) to achieve lower response time than Hamming codes. We successfully employed the introduced BEBR to Tencent products, including Sogou, Tencent Video, QQ World, etc. The binarization algorithm can be seamlessly generalized to various tasks with multiple modalities. Extensive experiments on offline benchmarks and online A/B tests demonstrate the efficiency and effectiveness of our method, significantly saving 30%~50% index costs with almost no loss of accuracy at the system level.