As language models (LMs) approach human-level performance, a comprehensive understanding of their behavior becomes crucial. This includes evaluating capabilities, biases, task performance, and alignment with societal values. Extensive initial evaluations, including red teaming and diverse benchmarking, can establish a model’s behavioral profile. However, subsequent fine-tuning or deployment modifications may alter these behaviors in unintended ways. We present an efficient statistical test to tackle Behavioral Shift Auditing (BSA) in LMs, which we define as detecting distribution shifts in qualitative properties of the output distributions of LMs. Our test compares model generations from a baseline model to those of the model under scrutiny and provides theoretical guarantees for change detection while controlling false positives. The test features a configurable tolerance parameter that adjusts sensitivity to behavioral changes for different use cases. We evaluate our approach using two case studies: monitoring changes in (a) toxicity and (b) translation performance. We find that the test is able to detect meaningful changes in behavior distributions using just hundreds of examples.

Simulating complex physical systems is crucial for understanding and predicting phenomena across diverse fields, such as fluid dynamics and heat transfer, as well as plasma physics and structural mechanics. Traditional approaches rely on solving partial differential equations (PDEs) using numerical methods, which are computationally expensive and often prohibitively slow for real-time applications or large-scale simulations. Neural PDEs have emerged as efficient alternatives to these costly numerical solvers, offering significant computational speed-ups. However, their lack of robust uncertainty quantification (UQ) limits deployment in critical applications. We introduce a model-agnostic, physics-informed conformal prediction (CP) framework that provides guaranteed uncertainty estimates without requiring labelled data. By utilising a physics-based approach, we can quantify and calibrate the model’s inconsistencies with the physics rather than the uncertainty arising from the data. Our approach utilises convolutional layers as finite-difference stencils and leverages physics residual errors as nonconformity scores, enabling data-free UQ with marginal and joint coverage guarantees across prediction domains for a range of complex PDEs. We further validate the efficacy of our method on neural PDE models for plasma modelling and shot design in fusion reactors.

We address the problem of reward hacking, where maximising a proxy reward does not necessarily increase the true reward. This is a key concern for Large Language Models (LLMs), as they are often fine-tuned on human preferences that may not accurately reflect a true objective. Existing work uses various tricks such as regularisation, tweaks to the reward model, and reward hacking detectors, to limit the influence that such proxy preferences have on a model. Luckily, in many contexts such as medicine, education, and law, a sparse amount of expert data is often available. In these cases, it is often unclear whether the addition of proxy data can improve policy learning. We outline a set of sufficient conditions on proxy feedback that, if satisfied, indicate that proxy data can provably improve the sample complexity of learning the ground truth policy. These conditions can inform the data collection process for specific tasks. The result implies a parameterisation for LLMs that achieves this improved sample complexity. We detail how one can adapt existing architectures to yield this improved sample complexity.

We study the problem of domain adaptation under distribution shift, where the shift is due to a change in the distribution of an unobserved, latent variable that confounds both the covariates and the labels. In this setting, neither the covariate shift nor the label shift assumptions apply. Our approach to adaptation employs proximal causal learning, a technique for estimating causal effects in settings where proxies of unobserved confounders are available. We demonstrate that proxy variables allow for adaptation to distribution shift without explicitly recovering or modeling latent variables. We consider two settings, (i) Concept Bottleneck: an additional “concept” variable is observed that mediates the relationship between the covariates and labels; (ii) Multi-domain: training data from multiple source domains is available, where each source domain exhibits a different distribution over the latent confounder. We develop a two-stage kernel estimation approach to adapt to complex distribution shifts in both settings. In our experiments, we show that our approach outperforms other methods, notably those which explicitly recover the latent confounder.

We address the problem of unsupervised domain adaptation when the source domain differs from the target domain because of a shift in the distribution of a latent subgroup. When this subgroup confounds all observed data, neither covariate shift nor label shift assumptions apply. We show that the optimal target predictor can be non-parametrically identified with the help of concept and proxy variables available only in the source domain, and unlabeled data from the target. The identification results are constructive, immediately suggesting an algorithm for estimating the optimal predictor in the target. For continuous observations, when this algorithm becomes impractical, we propose a latent variable model specific to the data generation process at hand. We show how the approach degrades as the size of the shift changes, and verify that it outperforms both covariate and label shift adjustment.

The computation necessary for training Transformer-based language models has skyrocketed in recent years. This trend has motivated research on efficient training algorithms designed to improve training, validation, and downstream performance faster than standard training. In this work, we revisit three categories of such algorithms: dynamic architectures (layer stacking, layer dropping), batch selection (selective backprop., RHO-loss), and efficient optimizers (Lion, Sophia). When pre-training BERT and T5 with a fixed computation budget using such methods, we find that their training, validation, and downstream gains vanish compared to a baseline with a fully-decayed learning rate. We define an evaluation protocol that enables computation to be done on arbitrary machines by mapping all computation time to a reference machine which we call reference system time. We discuss the limitations of our proposed protocol and release our code to encourage rigorous research in efficient training procedures: https://github.com/JeanKaddour/NoTrainNoGain.

Recently, flat-minima optimizers, which seek to find parameters in low-loss neighborhoods, have been shown to improve a neural network's generalization performance over stochastic and adaptive gradient-based optimizers. Two methods have received significant attention due to their scalability: 1. Stochastic Weight Averaging (SWA), and 2. Sharpness-Aware Minimization (SAM). However, there has been limited investigation into their properties and no systematic benchmarking of them across different domains. We fill this gap here by comparing the loss surfaces of the models trained with each method and through broad benchmarking across computer vision, natural language processing, and graph representation learning tasks. We discover several surprising findings from these results, which we hope will help researchers further improve deep learning optimizers, and practitioners identify the right optimizer for their problem.

Bayesian optimization over the latent spaces of deep autoencoder models (DAEs) has recently emerged as a promising new approach for optimizing challenging black-box functions over structured, discrete, hard-to-enumerate search spaces (e.g., molecules). Here the DAE dramatically simplifies the search space by mapping inputs into a continuous latent space where familiar Bayesian optimization tools can be more readily applied. Despite this simplification, the latent space typically remains high-dimensional. Thus, even with a well-suited latent space, these approaches do not necessarily provide a complete solution, but may rather shift the structured optimization problem to a high-dimensional one. In this paper, we propose LOL-BO, which adapts the notion of trust regions explored in recent work on high-dimensional Bayesian optimization to the structured setting. By reformulating the encoder to function as both an encoder for the DAE globally and as a deep kernel for the surrogate model within a trust region, we better align the notion of local optimization in the latent space with local optimization in the input space. LOL-BO achieves as much as 20 times improvement over state-of-the-art latent space Bayesian optimization methods across six real-world benchmarks, demonstrating that improvement in optimization strategies is as important as developing better DAE models.

We propose a kernel-based nonparametric estimator for the causal effect when the cause is corrupted by error. We do so by generalizing estimation in the instrumental variable setting. Despite significant work on regression with measurement error, additionally handling unobserved confounding in the continuous setting is non-trivial: we have seen little prior work. As a by-product of our investigation, we clarify a connection between mean embeddings and characteristic functions, and how learning one simultaneously allows one to learn the other. This opens the way for kernel method research to leverage existing results in characteristic function estimation. Finally, we empirically show that our proposed method, MEKIV, improves over baselines and is robust under changes in the strength of measurement error and to the type of error distributions.

We address the problem of efficiently verifying a commitment in a two-party computation. This addresses the scenario where a party P1 commits to a value x to be used in a subsequent secure computation with another party P2 that wants to receive assurance that P1 did not cheat, i.e. that x was indeed the value inputted into the secure computation. Our constructions operate in the publicly verifiable covert (PVC) security model, which is a relaxation of the malicious model of MPC, appropriate in settings where P1 faces a reputational harm if caught cheating.

We describe a simple pre-training approach for point clouds. It works in three steps: 1. Mask all points occluded in a camera view; 2. Learn an encoder-decoder model to reconstruct the occluded points; 3. Use the encoder weights as initialisation for downstream point cloud tasks. We find that even when we pre-train on a single dataset (ModelNet40), this method improves accuracy across different datasets and encoders, on a wide range of downstream tasks. Specifically, we show that our method outperforms previous pre-training methods in object classification, and both part-based and semantic segmentation tasks. We study the pre-trained features and find that they lead to wide downstream minima, have high transformation invariance, and have activations that are highly correlated with part labels. Code and data are available at: https://github.com/hansen7/OcCo

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.

We address the problem of causal effect estima-tion in the presence of unobserved confounding,but where proxies for the latent confounder(s) areobserved. We propose two kernel-based meth-ods for nonlinear causal effect estimation in thissetting: (a) a two-stage regression approach, and(b) a maximum moment restriction approach. Wefocus on the proximal causal learning setting, butour methods can be used to solve a wider classof inverse problems characterised by a Fredholmintegral equation. In particular, we provide a uni-fying view of two-stage and moment restrictionapproaches for solving this problem in a nonlin-ear setting. We provide consistency guaranteesfor each algorithm, and demonstrate that these ap-proaches achieve competitive results on syntheticdata and data simulating a real-world task. In par-ticular, our approach outperforms earlier methodsthat are not suited to leveraging proxy variables.

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.

We propose a data augmentation method for neural machine translation.It works by interpreting language models and phrasal alignment causally.Specifically, it creates augmented parallel translation corpora by generating (path-specific) counterfactual aligned phrases.We generate these by sampling new source phrases from a masked language model, then sampling an aligned counterfactual target phrase by noting that a translation language model can be interpreted as a Gumbel-Max Structural Causal Model (Oberst and Sontag, 2019).Compared to previous work, our method takes both context and alignment into account to maintain the symmetry between source and target sequences.Experiments on IWSLT'15 English → Vietnamese, WMT'17 English → German, WMT'18 English → Turkish, and WMT'19 robust English → French show that the method can improve the performance of translation, backtranslation and translation robustness.

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.

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.

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 interoperability. 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.

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.

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.

As machine learning algorithms move into real-world settings, it is crucial to ensure they are aligned with societal values. There has been much work on one aspect of this, namely the discriminatory prediction problem: How can we reduce discrimination in the predictions themselves? While an important question, solutions to this problem only apply in a restricted setting, as we have full control over the predictions. Often we care about the non-discrimination of quantities we do not have full control over. Thus, we describe another key aspect of this challenge, the discriminatory impact problem: How can we reduce discrimination arising from the real-world impact of decisions? To address this, we describe causal methods that model the relevant parts of the real-world system in which the decisions are made. Unlike previous approaches, these models not only allow us to map the causal pathway of a single decision, but also to model the effect of interference–how the impact on an individual depends on decisions made about other people. Often, the goal of decision policies is to maximize a beneficial impact overall. To reduce the discrimination of these benefits, we devise a constraint inspired by recent work in counterfactual fairness, and give an efficient procedure to solve the constrained optimization problem. We demonstrate our approach with an example: how to increase students taking college entrance exams in New York City public schools.

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.

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.

Machine learning methods are widely used for a variety of prediction problems. 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 nature of computation and amount of communication required between client and server. Fully homomorphic encryption offers a way out, whereby clients may encrypt their data, and on which the server may perform arithmetic computations. The one drawback of using fully homomorphic encryption is the amount of time required to evaluate large machine learning models on encrypted data. We combine several ideas from the machine learning literature, particularly work on quantization and sparsification of neural networks, together with algorithmic tools to speed-up and parallelize computation using encrypted data.

Deep generative models have been wildly successful at learning coherent latent representations for continuous data such as natural images, artwork, and audio. However, generative modeling of discrete data such as arithmetic expressions and molecular structures still poses significant challenges. Crucially, state-of-the-art methods often produce outputs that are not valid. We make the key observation that frequently, discrete data can be represented as a parse tree from a context-free grammar. We propose a variational autoencoder which directly encodes from and decodes to these parse trees, ensuring the generated outputs are always syntactically valid. Surprisingly, we show that not only does our model more often generate valid outputs, it also learns a more coherent latent space in which nearby points decode to similar discrete outputs. We demonstrate the effectiveness of our learned models by showing their improved performance in Bayesian optimization for symbolic regression and molecule generation.

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 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.

Machine learning is now being used to make crucial decisions about people's lives. For nearly all of these decisions there is a risk that individuals of a certain race, gender, sexual orientation, or any other subpopulation are unfairly discriminated against. Our recent method has demonstrated how to use techniques from counterfactual inference to make predictions fair across different subpopulations. This method requires that one provides the causal model that generated the data at hand. In general, validating all causal implications of the model is not possible without further assumptions. Hence, it is desirable to integrate competing causal models to provide counterfactually fair decisions, regardless of which causal "world" is the correct one. In this paper, we show how it is possible to make predictions that are approximately fair with respect to multiple possible causal models at once, thus mitigating the problem of exact causal specification. We frame the goal of learning a fair classifier as an optimization problem with fairness constraints entailed by competing causal explanations. We show how this optimization problem can be efficiently solved using gradient-based methods. We demonstrate the flexibility of our model on two real-world fair classification problems. We show that our model can seamlessly balance fairness in multiple worlds with prediction accuracy.

Causal inference deals with identifying which random variables ”cause” or control other random variables. Recent advances on the topic of causal inference based on tools from statistical estimation and machine learning have resulted in practical algorithms for causal inference. Causal inference has the potential to have significant impact on medical research, prevention and control of diseases, and identifying factors that impact economic changes to name just a few. However, these promising applications for causal inference are often ones that involve sensitive or personal data of users that need to be kept private (e.g., medical records, personal finances, etc). Therefore, there is a need for the development of causal inference methods that preserve data privacy. We study the problem of inferring causality using the current, popular causal inference framework, the additive noise model (ANM) while simultaneously ensuring privacy of the users. Our framework provides differential privacy guarantees for a variety of ANM variants. We run extensive experiments, and demonstrate that our techniques are practical and easy to implement.

Accurately measuring the similarity between text documents lies at the core of many real world applications of machine learning. These include web-search ranking, document recommendation, multi-lingual document matching, and article categorization. Recently, a new document metric, the word mover's distance (WMD), has been proposed with unprecedented results on kNN-based document classification. The WMD elevates high quality word embeddings to document metrics by formulating the distance between two documents as an optimal transport problem between the embedded words. However, the document distances are entirely unsupervised and lack a mechanism to incorporate supervision when available. In this paper we propose an efficient technique to learn a supervised metric, which we call the Supervised WMD (S-WMD) metric. Our algorithm learns document distances that measure the underlying semantic differences between documents by leveraging semantic differences between individual words discovered during supervised training. This is achieved with an linear transformation of the underlying word embedding space and tailored word-specific weights, learned to minimize the stochastic leave-one-out nearest neighbor classification error on a per-document level. We evaluate our metric on eight real-world text classification tasks on which S-WMD consistently outperforms almost all of our 26 competitive baselines.

Bayesian optimization is a powerful tool for fine-tuning the hyper-parameters of a wide variety of machine learning models. The success of machine learning has led practitioners in diverse real-world settings to learn classifiers for practical problems. As machine learning becomes commonplace, Bayesian optimization becomes an attractive method for practitioners to automate the process of classifier hyper-parameter tuning. A key observation is that the data used for tuning models in these settings is often sensitive. Certain data such as genetic predisposition, personal email statistics, and car accident history, if not properly private, may be at risk of being inferred from Bayesian optimization outputs. To address this, we introduce methods for releasing the best hyper-parameters and classifier accuracy privately. Leveraging the strong theoretical guarantees of differential privacy and known Bayesian optimization convergence bounds, we prove that under a GP assumption these private quantities are often near-optimal. Finally, even if this assumption is not satisfied, we can use different smoothness guarantees to protect privacy.

We present the Word Mover’s Distance (WMD), a novel distance function between text documents. Our work is based on recent results in word embeddings that learn semantically meaningful representations for words from local co-occurrences in sentences. The WMD distance measures the dissimilarity between two text documents as the minimum amount of distance that the embedded words of one document need to "travel" to reach the embedded words of another document. We show that this distance metric can be cast as an instance of the Earth Mover’s Distance, a well studied transportation problem for which several highly efficient solvers have been developed. Our metric has no hyperparameters and is straight-forward to implement. Further, we demonstrate on eight real world document classification data sets, in comparison with seven state-of-the-art baselines, that the WMD metric leads to unprecedented low k-nearest neighbor document classification error rates.

Clustering large data is a fundamental problem with a vast number of applications. Due to the increasing size of data, practitioners interested in clustering have turned to distributed computation methods. In this work, we consider the widely used k-center clustering problem and its variant used to handle noisy data, k-center with outliers. In the noise-free setting we demonstrate how a previously-proposed distributed method is actually an O(1)-approximation algorithm, which accurately explains its strong empirical performance. Additionally, in the noisy setting, we develop a novel distributed algorithm that is also an O(1)-approximation. These algorithms are highly parallel and lend themselves to virtually any distributed computing framework. We compare both empirically against the best known noisy sequential clustering methods and show that both distributed algorithms are consistently close to their sequential versions. The algorithms are all one can hope for in distributed settings: they are fast, memory efficient and they match their sequential counterparts.

During the past decade, machine learning algorithms have become commonplace in large-scale real-world industrial applications. In these settings, the computation time to train and test machine learning algorithms is a key consideration. At training-time the algorithms must scale to very large data set sizes.At testing-time, the cost of feature extraction can dominate the CPU runtime. Recently, a promising method was proposed to account for the feature extraction cost at testing time, called Cost-sensitive Tree of Classifiers (CSTC). Although the CSTC problem is NP-hard, the authors suggest an approximation through a mixed-norm relaxation across many classifiers. This relaxation is slow to train and requires involved optimization hyperparameter tuning. We propose a different relaxation using approximate submodularity, called Approximately Submodular Tree of Classifiers (ASTC). ASTC is much simpler to implement, yields equivalent results but requires no optimization hyperparameter tuning and is up to two orders of magnitude faster to train.

Bayesian optimization is a powerful framework for minimizing expensive objective functions while using very few function evaluations. It has been successfully applied to a variety of problems, including hyperparameter tuning and experimental design. However, this framework has not been extended to the inequality-constrained optimization setting, particularly the setting in which evaluating feasibility is just as expensive as evaluating the objective. Here we present constrained Bayesian optimization, which places a prior distribution on both the objective and the constraint functions. We evaluate our method on simulated and real data, demonstrating that constrained Bayesian optimization can quickly find optimal and feasible points, even when small feasible regions cause standard methods to fail.

We present Stochastic Neighborhood Compression (SNC), an algorithm to compress a dataset for the purpose of k-nearest neighbor (kNN) classification. Given training data, SNC learns a much smaller synthetic data set, that minimizes the stochastic 1-nearest neighbor classification error on the training data. This approach has several appealing properties: due to its small size, the compressed set speeds up kNN testing drastically (up to several orders of magnitude, in our experiments); it makes the kNN classifier substantially more robust to label noise; on 4 of 7 data sets it yields lower test error than kNN on the entire training set, even at compression ratios as low as 2%; finally, the SNC compression leads to impressive speed ups over kNN even when kNN and SNC are both used with ball-tree data structures, hashing, and LMNN dimensionality reduction, demonstrating that it is complementary to existing state-of-the-art algorithms to speed up kNN classification and leads to substantial further improvements.

Evaluation cost during test-time is becoming increasingly important as many real-world applications need fast evaluation (e.g. web search engines, email spam filtering) or use expensive features (e.g. medical diagnosis). We introduce Anytime Feature Representations (AFR), a novel algorithm that explicitly addresses this trade-off in the data representation rather than in the classifier. This enables us to turn conventional classifiers, in particular Support Vector Machines, into test-time cost sensitive anytime classifiers - combining the advantages of anytime learning and large-margin classification.

Recently, machine learning algorithms have successfully entered large-scale real-world industrial applications (e.g. search engines and email spam filters). Here, the CPU cost during test-time must be budgeted and accounted for. In this paper, we address the challenge of balancing test-time cost and the classifier accuracy in a principled fashion. The test-time cost of a classifier is often dominated by the computation required for feature extraction-which can vary drastically across features. We incorporate this extraction time by constructing a tree of classifiers, through which test inputs traverse along individual paths. Each path extracts different features and is optimized for a specific sub-partition of the input space. By only computing features for inputs that benefit from them the most, our cost-sensitive tree of classifiers can match the high accuracies of the current state-of-the-art at a small fraction of the computational cost.