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Constrained optimization problems can be difficult because their search spaces have properties not conducive to search, e.g., multimodality, discontinuities, or deception. To address such difficulties, considerable research has been performed on creating novel evolutionary algorithms or specialized genetic operators. However, if the representation that defined the search space could be altered such that it only permitted valid solutions that satisfied the constraints, the task of finding the optimal would be made more feasible without any need for specialized optimization algorithms. We propose the use of a Variational Autoencoder to learn such representations. We present Constrained Optimization in Latent Space (COIL), which uses a VAE to generate a learned latent representation from a dataset comprising samples from the valid region of the search space according to a constraint, thus enabling the optimizer to find the objective in the new space defined by the learned representation. We investigate the value of this approach on different constraint types and for different numbers of variables. We show that, compared to an identical GA using a standard representation, COIL with its learned latent representation can satisfy constraints and find solutions with distance to objective up to two orders of magnitude closer.

We address the problem of finding the optimal policy of a constrained Markov decision process (CMDP) using a gradient descent-based algorithm. Previous results have shown that a primal-dual approach can achieve an $\mathcal{O}(1/\sqrt{T})$ global convergence rate for both the optimality gap and the constraint violation. We propose a new algorithm called policy mirror descent-primal dual (PMD-PD) algorithm that can provably achieve a faster $\mathcal{O}(\log(T)/T)$ convergence rate for both the optimality gap and the constraint violation. For the primal (policy) update, the PMD-PD algorithm utilizes a modified value function and performs natural policy gradient steps, which is equivalent to a mirror descent step with appropriate regularization. For the dual update, the PMD-PD algorithm uses modified Lagrange multipliers to ensure a faster convergence rate. We also present two extensions of this approach to the settings with zero constraint violation and sample-based estimation. Experimental results demonstrate the faster convergence rate and the better performance of the PMD-PD algorithm compared with existing policy gradient-based algorithms.

In domains ranging from computer vision to natural language processing, machine learning models have been shown to exhibit stark disparities, often performing worse for members of traditionally underserved groups. One factor contributing to these performance gaps is a lack of representation in the data the models are trained on. It is often unclear, however, how to operationalize representativeness in specific applications. Here we formalize the problem of creating equitable training datasets, and propose a statistical framework for addressing this problem. We consider a setting where a model builder must decide how to allocate a fixed data collection budget to gather training data from different subgroups. We then frame dataset creation as a constrained optimization problem, in which one maximizes a function of group-specific performance metrics based on (estimated) group-specific learning rates and costs per sample. This flexible approach incorporates preferences of model-builders and other stakeholders, as well as the statistical properties of the learning task. When data collection decisions are made sequentially, we show that under certain conditions this optimization problem can be efficiently solved even without prior knowledge of the learning rates. To illustrate our approach, we conduct a simulation study of polygenic risk scores on synthetic genomic data -- an application domain that often suffers from non-representative data collection. We find that our adaptive sampling strategy outperforms several common data collection heuristics, including equal and proportional sampling, demonstrating the value of strategic dataset design for building equitable models.

We consider the problem of discovering $K$ related Gaussian directed acyclic graphs (DAGs), where the involved graph structures share a consistent causal order and sparse unions of supports. Under the multi-task learning setting, we propose a $l_1/l_2$-regularized maximum likelihood estimator (MLE) for learning $K$ linear structural equation models. We theoretically show that the joint estimator, by leveraging data across related tasks, can achieve a better sample complexity for recovering the causal order (or topological order) than separate estimations. Moreover, the joint estimator is able to recover non-identifiable DAGs, by estimating them together with some identifiable DAGs. Lastly, our analysis also shows the consistency of union support recovery of the structures. To allow practical implementation, we design a continuous optimization problem whose optimizer is the same as the joint estimator and can be approximated efficiently by an iterative algorithm. We validate the theoretical analysis and the effectiveness of the joint estimator in experiments.

Computational design problems arise in a number of settings, from synthetic biology to computer architectures. In this paper, we aim to solve data-driven model-based optimization (MBO) problems, where the goal is to find a design input that maximizes an unknown objective function provided access to only a static dataset of prior experiments. Such data-driven optimization procedures are the only practical methods in many real-world domains where active data collection is expensive (e.g., when optimizing over proteins) or dangerous (e.g., when optimizing over aircraft designs). Typical methods for MBO that optimize the design against a learned model suffer from distributional shift: it is easy to find a design that "fools" the model into predicting a high value. To overcome this, we propose conservative objective models (COMs), a method that learns a model of the objective function that lower bounds the actual value of the ground-truth objective on out-of-distribution inputs, and uses it for optimization. Structurally, COMs resemble adversarial training methods used to overcome adversarial examples. COMs are simple to implement and outperform a number of existing methods on a wide range of MBO problems, including optimizing protein sequences, robot morphologies, neural network weights, and superconducting materials.

We study constrained reinforcement learning (CRL) from a novel perspective by setting constraints directly on state density functions, rather than the value functions considered by previous works. State density has a clear physical and mathematical interpretation, and is able to express a wide variety of constraints such as resource limits and safety requirements. Density constraints can also avoid the time-consuming process of designing and tuning cost functions required by value function-based constraints to encode system specifications. We leverage the duality between density functions and Q functions to develop an effective algorithm to solve the density constrained RL problem optimally and the constrains are guaranteed to be satisfied. We prove that the proposed algorithm converges to a near-optimal solution with a bounded error even when the policy update is imperfect. We use a set of comprehensive experiments to demonstrate the advantages of our approach over state-of-the-art CRL methods, with a wide range of density constrained tasks as well as standard CRL benchmarks such as Safety-Gym.

This paper focuses on the expected difference in borrower's repayment when there is a change in the lender's credit decisions. Classical estimators overlook the confounding effects and hence the estimation error can be magnificent. As such, we propose another approach to construct the estimators such that the error can be greatly reduced. The proposed estimators are shown to be unbiased, consistent, and robust through a combination of theoretical analysis and numerical testing. Moreover, we compare the power of estimating the causal quantities between the classical estimators and the proposed estimators. The comparison is tested across a wide range of models, including linear regression models, tree-based models, and neural network-based models, under different simulated datasets that exhibit different levels of causality, different degrees of nonlinearity, and different distributional properties. Most importantly, we apply our approaches to a large observational dataset provided by a global technology firm that operates in both the e-commerce and the lending business. We find that the relative reduction of estimation error is strikingly substantial if the causal effects are accounted for correctly.

This paper is concerned with data-driven unsupervised domain adaptation, where it is unknown in advance how the joint distribution changes across domains, i.e., what factors or modules of the data distribution remain invariant or change across domains. To develop an automated way of domain adaptation with multiple source domains, we propose to use a graphical model as a compact way to encode the change property of the joint distribution, which can be learned from data, and then view domain adaptation as a problem of Bayesian inference on the graphical models. Such a graphical model distinguishes between constant and varied modules of the distribution and specifies the properties of the changes across domains, which serves as prior knowledge of the changing modules for the purpose of deriving the posterior of the target variable $Y$ in the target domain. This provides an end-to-end framework of domain adaptation, in which additional knowledge about how the joint distribution changes, if available, can be directly incorporated to improve the graphical representation. We discuss how causality-based domain adaptation can be put under this umbrella. Experimental results on both synthetic and real data demonstrate the efficacy of the proposed framework for domain adaptation. The code is available at //github.com/mgong2/DA_Infer .

The inaccessibility of controlled randomized trials due to inherent constraints in many fields of science has been a fundamental issue in causal inference. In this paper, we focus on distinguishing the cause from effect in the bivariate setting under limited observational data. Based on recent developments in meta learning as well as in causal inference, we introduce a novel generative model that allows distinguishing cause and effect in the small data setting. Using a learnt task variable that contains distributional information of each dataset, we propose an end-to-end algorithm that makes use of similar training datasets at test time. We demonstrate our method on various synthetic as well as real-world data and show that it is able to maintain high accuracy in detecting directions across varying dataset sizes.

Real-world applications often combine learning and optimization problems on graphs. For instance, our objective may be to cluster the graph in order to detect meaningful communities (or solve other common graph optimization problems such as facility location, maxcut, and so on). However, graphs or related attributes are often only partially observed, introducing learning problems such as link prediction which must be solved prior to optimization. We propose an approach to integrate a differentiable proxy for common graph optimization problems into training of machine learning models for tasks such as link prediction. This allows the model to focus specifically on the downstream task that its predictions will be used for. Experimental results show that our end-to-end system obtains better performance on example optimization tasks than can be obtained by combining state of the art link prediction methods with expert-designed graph optimization algorithms.