arXiv subjects

Matt J. Kusner

Publications and source records attributed to Matt J. Kusner.

At least 37 records · Page 2Linked to original sources

arXiv2021

Causal Effect Inference for Structured Treatments

We address the estimation of conditional average treatment effects (CATEs) for structured treatments (e.g., graphs, images, texts). Given a weak condition on the effect, we propose the generalized Robinson decomposition, which (i) isolates the causal estimand (reducing regularization bias), (ii) allows one to plug in arbitrary models for learning, and (iii) possesses a quasi-oracle convergence guarantee under mild assumptions. In experiments with small-world and molecular graphs we demonstrate that our approach outperforms prior work in CATE estimation.

cs.LG↗

arXiv2021

Learning Binary Decision Trees by Argmin Differentiation

We address the problem of learning binary decision trees that partition data for some downstream task. We propose to learn discrete parameters (i.e., for tree traversals and node pruning) and continuous parameters (i.e., for tree split functions and prediction functions) simultaneously using argmin differentiation. We do so by sparsely relaxing a mixed-integer program for the discrete parameters, to allow gradients to pass through the program to continuous parameters. We derive customized algorithms to efficiently compute the forward and backward passes. This means that our tree learning procedure can be used as an (implicit) layer in arbitrary deep networks, and can be optimized with arbitrary loss functions. We demonstrate that our approach produces binary trees that are competitive with existing single tree and ensemble approaches, in both supervised and unsupervised settings. Further, apart from greedy approaches (which do not have competitive accuracies), our method is faster to train than all other tree-learning baselines we compare with. The code for reproducing the results is available at https://github.com/vzantedeschi/LatentTrees.

cs.LG↗

arXiv2021

Operationalizing Complex Causes: A Pragmatic View of Mediation

We examine the problem of causal response estimation for complex objects (e.g., text, images, genomics). In this setting, classical \emph{atomic} interventions are often not available (e.g., changes to characters, pixels, DNA base-pairs). Instead, we only have access to indirect or \emph{crude} interventions (e.g., enrolling in a writing program, modifying a scene, applying a gene therapy). In this work, we formalize this problem and provide an initial solution. Given a collection of candidate mediators, we propose (a) a two-step method for predicting the causal responses of crude interventions; and (b) a testing procedure to identify mediators of crude interventions. We demonstrate, on a range of simulated and real-world-inspired examples, that our approach allows us to efficiently estimate the effect of crude interventions with limited data from new treatment regimes.

cs.LG↗

arXiv2020

Barking up the right tree: an approach to search over molecule synthesis DAGs

When designing new molecules with particular properties, it is not only important what to make but crucially how to make it. These instructions form a synthesis directed acyclic graph (DAG), describing how a large vocabulary of simple building blocks can be recursively combined through chemical reactions to create more complicated molecules of interest. In contrast, many current deep generative models for molecules ignore synthesizability. We therefore propose a deep generative model that better represents the real world process, by directly outputting molecule synthesis DAGs. We argue that this provides sensible inductive biases, ensuring that our model searches over the same chemical space that chemists would also have access to, as well as interpretability. We show that our approach is able to model chemical space well, producing a wide range of diverse molecules, and allows for unconstrained optimization of an inherently constrained problem: maximize certain chemical properties such that discovered molecules are synthesizable.

cs.LG↗

arXiv2020

A Class of Algorithms for General Instrumental Variable Models

Causal treatment effect estimation is a key problem that arises in a variety of real-world settings, from personalized medicine to governmental policy making. There has been a flurry of recent work in machine learning on estimating causal effects when one has access to an instrument. However, to achieve identifiability, they in general require one-size-fits-all assumptions such as an additive error model for the outcome. An alternative is partial identification, which provides bounds on the causal effect. Little exists in terms of bounding methods that can deal with the most general case, where the treatment itself can be continuous. Moreover, bounding methods generally do not allow for a continuum of assumptions on the shape of the causal effect that can smoothly trade off stronger background knowledge for more informative bounds. In this work, we provide a method for causal effect bounding in continuous distributions, leveraging recent advances in gradient-based methods for the optimization of computationally intractable objective functions. We demonstrate on a set of synthetic and real-world data that our bounds capture the causal effect when additive methods fail, providing a useful range of answers compatible with observation as opposed to relying on unwarranted structural assumptions.

cs.LG↗

arXiv2020

A Survey on Contextual Embeddings

Contextual embeddings, such as ELMo and BERT, move beyond global word representations like Word2Vec and achieve ground-breaking performance on a wide range of natural language processing tasks. Contextual embeddings assign each word a representation based on its context, thereby capturing uses of words across varied contexts and encoding knowledge that transfers across languages. In this survey, we review existing contextual embedding models, cross-lingual polyglot pre-training, the application of contextual embeddings in downstream tasks, model compression, and model analyses.

cs.CL↗

arXiv2020

Differentiable Causal Backdoor Discovery

Discovering the causal effect of a decision is critical to nearly all forms of decision-making. In particular, it is a key quantity in drug development, in crafting government policy, and when implementing a real-world machine learning system. Given only observational data, confounders often obscure the true causal effect. Luckily, in some cases, it is possible to recover the causal effect by using certain observed variables to adjust for the effects of confounders. However, without access to the true causal model, finding this adjustment requires brute-force search. In this work, we present an algorithm that exploits auxiliary variables, similar to instruments, in order to find an appropriate adjustment by a gradient-based optimization method. We demonstrate that it outperforms practical alternatives in estimating the true causal effect, without knowledge of the full causal graph.

cs.LG↗

arXiv2019

A Model to Search for Synthesizable Molecules

Deep generative models are able to suggest new organic molecules by generating strings, trees, and graphs representing their structure. While such models allow one to generate molecules with desirable properties, they give no guarantees that the molecules can actually be synthesized in practice. We propose a new molecule generation model, mirroring a more realistic real-world process, where (a) reactants are selected, and (b) combined to form more complex molecules. More specifically, our generative model proposes a bag of initial reactants (selected from a pool of commercially-available molecules) and uses a reaction model to predict how they react together to generate new molecules. We first show that the model can generate diverse, valid and unique molecules due to the useful inductive biases of modeling reactions. Furthermore, our model allows chemists to interrogate not only the properties of the generated molecules but also the feasibility of the synthesis routes. We conclude by using our model to solve retrosynthesis problems, predicting a set of reactants that can produce a target product.

cs.LG↗

arXiv2019

QUOTIENT: Two-Party Secure Neural Network Training and Prediction

Recently, there has been a wealth of effort devoted to the design of secure protocols for machine learning tasks. Much of this is aimed at enabling secure prediction from highly-accurate Deep Neural Networks (DNNs). However, as DNNs are trained on data, a key question is how such models can be also trained securely. The few prior works on secure DNN training have focused either on designing custom protocols for existing training algorithms, or on developing tailored training algorithms and then applying generic secure protocols. In this work, we investigate the advantages of designing training algorithms alongside a novel secure protocol, incorporating optimizations on both fronts. We present QUOTIENT, a new method for discretized training of DNNs, along with a customized secure two-party protocol for it. QUOTIENT incorporates key components of state-of-the-art DNN training such as layer normalization and adaptive gradient methods, and improves upon the state-of-the-art in DNN training in two-party computation. Compared to prior work, we obtain an improvement of 50X in WAN time and 6% in absolute accuracy.

cs.CR↗

arXiv2019

The Sensitivity of Counterfactual Fairness to Unmeasured Confounding

Causal approaches to fairness have seen substantial recent interest, both from the machine learning community and from wider parties interested in ethical prediction algorithms. In no small part, this has been due to the fact that causal models allow one to simultaneously leverage data and expert knowledge to remove discriminatory effects from predictions. However, one of the primary assumptions in causal modeling is that you know the causal graph. This introduces a new opportunity for bias, caused by misspecifying the causal model. One common way for misspecification to occur is via unmeasured confounding: the true causal effect between variables is partially described by unobserved quantities. In this work we design tools to assess the sensitivity of fairness measures to this confounding for the popular class of non-linear additive noise models (ANMs). Specifically, we give a procedure for computing the maximum difference between two counterfactually fair predictors, where one has become biased due to confounding. For the case of bivariate confounding our technique can be swiftly computed via a sequence of closed-form updates. For multivariate confounding we give an algorithm that can be efficiently solved via automatic differentiation. We demonstrate our new sensitivity analysis tools in real-world fairness scenarios to assess the bias arising from confounding.

cs.LG↗

arXiv2019

A Generative Model For Electron Paths

Chemical reactions can be described as the stepwise redistribution of electrons in molecules. As such, reactions are often depicted using `arrow-pushing' diagrams which show this movement as a sequence of arrows. We propose an electron path prediction model (ELECTRO) to learn these sequences directly from raw reaction data. Instead of predicting product molecules directly from reactant molecules in one shot, learning a model of electron movement has the benefits of (a) being easy for chemists to interpret, (b) incorporating constraints of chemistry, such as balanced atom counts before and after the reaction, and (c) naturally encoding the sparsity of chemical reactions, which usually involve changes in only a small number of atoms in the reactants.We design a method to extract approximate reaction paths from any dataset of atom-mapped reaction SMILES strings. Our model achieves excellent performance on an important subset of the USPTO reaction dataset, comparing favorably to the strongest baselines. Furthermore, we show that our model recovers a basic knowledge of chemistry without being explicitly trained to do so.

physics.chem-ph↗

arXiv2019

Gradient Regularized Budgeted Boosting

As machine learning transitions increasingly towards real world applications controlling the test-time cost of algorithms becomes more and more crucial. Recent work, such as the Greedy Miser and Speedboost, incorporate test-time budget constraints into the training procedure and learn classifiers that provably stay within budget (in expectation). However, so far, these algorithms are limited to the supervised learning scenario where sufficient amounts of labeled data are available. In this paper we investigate the common scenario where labeled data is scarce but unlabeled data is available in abundance. We propose an algorithm that leverages the unlabeled data (through Laplace smoothing) and learns classifiers with budget constraints. Our model, based on gradient boosted regression trees (GBRT), is, to our knowledge, the first algorithm for semi-supervised budgeted learning.

cs.LG↗

arXiv2018

Learning a Generative Model for Validity in Complex Discrete Structures

Deep generative models have been successfully used to learn representations for high-dimensional discrete spaces by representing discrete objects as sequences and employing powerful sequence-based deep models. Unfortunately, these sequence-based models often produce invalid sequences: sequences which do not represent any underlying discrete structure; invalid sequences hinder the utility of such models. As a step towards solving this problem, we propose to learn a deep recurrent validator model, which can estimate whether a partial sequence can function as the beginning of a full, valid sequence. This validator provides insight as to how individual sequence elements influence the validity of the overall sequence, and can be used to constrain sequence based models to generate valid sequences -- and thus faithfully model discrete objects. Our approach is inspired by reinforcement learning, where an oracle which can evaluate validity of complete sequences provides a sparse reward signal. We demonstrate its effectiveness as a generative model of Python 3 source code for mathematical expressions, and in improving the ability of a variational autoencoder trained on SMILES strings to decode valid molecular structures.

stat.ML↗

arXiv2018

TAPAS: Tricks to Accelerate (encrypted) Prediction As a Service

Machine learning methods are widely used for a variety of prediction problems. \emph{Prediction as a service} is a paradigm in which service providers with technological expertise and computational resources may perform predictions for clients. However, data privacy severely restricts the applicability of such services, unless measures to keep client data private (even from the service provider) are designed. Equally important is to minimize the amount of computation and communication required between client and server. Fully homomorphic encryption offers a possible way out, whereby clients may encrypt their data, and on which the server may perform arithmetic computations. The main drawback of using fully homomorphic encryption is the amount of time required to evaluate large machine learning models on encrypted data. We combine ideas from the machine learning literature, particularly work on binarization and sparsification of neural networks, together with algorithmic tools to speed-up and parallelize computation using encrypted data.

cs.CR↗

arXiv2018

Blind Justice: Fairness with Encrypted Sensitive Attributes

Recent work has explored how to train machine learning models which do not discriminate against any subgroup of the population as determined by sensitive attributes such as gender or race. To avoid disparate treatment, sensitive attributes should not be considered. On the other hand, in order to avoid disparate impact, sensitive attributes must be examined, e.g., in order to learn a fair model, or to check if a given model is fair. We introduce methods from secure multi-party computation which allow us to avoid both. By encrypting sensitive attributes, we show how an outcome-based fair model may be learned, checked, or have its outputs verified and held to account, without users revealing their sensitive attributes.

stat.ML↗

arXiv2018

Causal Interventions for Fairness

Most approaches in algorithmic fairness constrain machine learning methods so the resulting predictions satisfy one of several intuitive notions of fairness. While this may help private companies comply with non-discrimination laws or avoid negative publicity, we believe it is often too little, too late. By the time the training data is collected, individuals in disadvantaged groups have already suffered from discrimination and lost opportunities due to factors out of their control. In the present work we focus instead on interventions such as a new public policy, and in particular, how to maximize their positive effects while improving the fairness of the overall system. We use causal methods to model the effects of interventions, allowing for potential interference--each individual's outcome may depend on who else receives the intervention. We demonstrate this with an example of allocating a budget of teaching resources using a dataset of schools in New York City.

stat.ML↗

arXiv2018

Causal Reasoning for Algorithmic Fairness

In this work, we argue for the importance of causal reasoning in creating fair algorithms for decision making. We give a review of existing approaches to fairness, describe work in causality necessary for the understanding of causal approaches, argue why causality is necessary for any approach that wishes to be fair, and give a detailed analysis of the many recent approaches to causality-based fairness.

cs.AI↗

arXiv2018

Counterfactual Fairness

Machine learning can impact people with legal or ethical consequences when it is used to automate decisions in areas such as insurance, lending, hiring, and predictive policing. In many of these scenarios, previous decisions have been made that are unfairly biased against certain subpopulations, for example those of a particular race, gender, or sexual orientation. Since this past data may be biased, machine learning predictors must account for this to avoid perpetuating or creating discriminatory practices. In this paper, we develop a framework for modeling fairness using tools from causal inference. Our definition of counterfactual fairness captures the intuition that a decision is fair towards an individual if it is the same in (a) the actual world and (b) a counterfactual world where the individual belonged to a different demographic group. We demonstrate our framework on a real-world problem of fair prediction of success in law school.

stat.ML↗