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Chris J. Maddison

Publications and source records attributed to Chris J. Maddison.

At least 37 records · Page 2Linked to original sources

Experts Don't Cheat: Learning What You Don't Know By Predicting Pairs

Identifying how much a model ${\widehat{p}}_θ(Y|X)$ knows about the stochastic real-world process $p(Y|X)$ it was trained on is important to ensure it avoids producing incorrect or "hallucinated" answers or taking unsafe actions. But this is difficult for generative models because probabilistic predictions do not distinguish between per-response noise (aleatoric uncertainty) and lack of knowledge about the process (epistemic uncertainty), and existing epistemic uncertainty quantification techniques tend to be overconfident when the model underfits. We propose a general strategy for teaching a model to both approximate $p(Y|X)$ and also estimate the remaining gaps between ${\widehat{p}}_θ(Y|X)$ and $p(Y|X)$: train it to predict pairs of independent responses drawn from the true conditional distribution, allow it to "cheat" by observing one response while predicting the other, then measure how much it cheats. Remarkably, we prove that being good at cheating (i.e. cheating whenever it improves your prediction) is equivalent to being second-order calibrated, a principled extension of ordinary calibration that allows us to construct provably-correct frequentist confidence intervals for $p(Y|X)$ and detect incorrect responses with high probability. We demonstrate empirically that our approach accurately estimates how much models don't know across ambiguous image classification, (synthetic) language modeling, and partially-observable navigation tasks, outperforming existing techniques.

cs.LG↗

Identifying the Risks of LM Agents with an LM-Emulated Sandbox

Recent advances in Language Model (LM) agents and tool use, exemplified by applications like ChatGPT Plugins, enable a rich set of capabilities but also amplify potential risks - such as leaking private data or causing financial losses. Identifying these risks is labor-intensive, necessitating implementing the tools, setting up the environment for each test scenario manually, and finding risky cases. As tools and agents become more complex, the high cost of testing these agents will make it increasingly difficult to find high-stakes, long-tailed risks. To address these challenges, we introduce ToolEmu: a framework that uses an LM to emulate tool execution and enables the testing of LM agents against a diverse range of tools and scenarios, without manual instantiation. Alongside the emulator, we develop an LM-based automatic safety evaluator that examines agent failures and quantifies associated risks. We test both the tool emulator and evaluator through human evaluation and find that 68.8% of failures identified with ToolEmu would be valid real-world agent failures. Using our curated initial benchmark consisting of 36 high-stakes tools and 144 test cases, we provide a quantitative risk analysis of current LM agents and identify numerous failures with potentially severe outcomes. Notably, even the safest LM agent exhibits such failures 23.9% of the time according to our evaluator, underscoring the need to develop safer LM agents for real-world deployment.

cs.AI↗

Probabilistic Invariant Learning with Randomized Linear Classifiers

Designing models that are both expressive and preserve known invariances of tasks is an increasingly hard problem. Existing solutions tradeoff invariance for computational or memory resources. In this work, we show how to leverage randomness and design models that are both expressive and invariant but use less resources. Inspired by randomized algorithms, our key insight is that accepting probabilistic notions of universal approximation and invariance can reduce our resource requirements. More specifically, we propose a class of binary classification models called Randomized Linear Classifiers (RLCs). We give parameter and sample size conditions in which RLCs can, with high probability, approximate any (smooth) function while preserving invariance to compact group transformations. Leveraging this result, we design three RLCs that are provably probabilistic invariant for classification tasks over sets, graphs, and spherical data. We show how these models can achieve probabilistic invariance and universality using less resources than (deterministic) neural networks and their invariant counterparts. Finally, we empirically demonstrate the benefits of this new class of models on invariant tasks where deterministic invariant neural networks are known to struggle.

cs.LG↗

Contrastive Learning Can Find An Optimal Basis For Approximately View-Invariant Functions

Contrastive learning is a powerful framework for learning self-supervised representations that generalize well to downstream supervised tasks. We show that multiple existing contrastive learning methods can be reinterpreted as learning kernel functions that approximate a fixed positive-pair kernel. We then prove that a simple representation obtained by combining this kernel with PCA provably minimizes the worst-case approximation error of linear predictors, under a straightforward assumption that positive pairs have similar labels. Our analysis is based on a decomposition of the target function in terms of the eigenfunctions of a positive-pair Markov chain, and a surprising equivalence between these eigenfunctions and the output of Kernel PCA. We give generalization bounds for downstream linear prediction using our Kernel PCA representation, and show empirically on a set of synthetic tasks that applying Kernel PCA to contrastive learning models can indeed approximately recover the Markov chain eigenfunctions, although the accuracy depends on the kernel parameterization as well as on the augmentation strength.

cs.LG↗

Learning Branching Heuristics for Propositional Model Counting

Propositional model counting, or #SAT, is the problem of computing the number of satisfying assignments of a Boolean formula. Many problems from different application areas, including many discrete probabilistic inference problems, can be translated into model counting problems to be solved by #SAT solvers. Exact #SAT solvers, however, are often not scalable to industrial size instances. In this paper, we present Neuro#, an approach for learning branching heuristics to improve the performance of exact #SAT solvers on instances from a given family of problems. We experimentally show that our method reduces the step count on similarly distributed held-out instances and generalizes to much larger instances from the same problem family. It is able to achieve these results on a number of different problem families having very different structures. In addition to step count improvements, Neuro# can also achieve orders of magnitude wall-clock speedups over the vanilla solver on larger instances in some problem families, despite the runtime overhead of querying the model.

cs.LG↗

Learning To Cut By Looking Ahead: Cutting Plane Selection via Imitation Learning

Cutting planes are essential for solving mixed-integer linear problems (MILPs), because they facilitate bound improvements on the optimal solution value. For selecting cuts, modern solvers rely on manually designed heuristics that are tuned to gauge the potential effectiveness of cuts. We show that a greedy selection rule explicitly looking ahead to select cuts that yield the best bound improvement delivers strong decisions for cut selection - but is too expensive to be deployed in practice. In response, we propose a new neural architecture (NeuralCut) for imitation learning on the lookahead expert. Our model outperforms standard baselines for cut selection on several synthetic MILP benchmarks. Experiments with a B&C solver for neural network verification further validate our approach, and exhibit the potential of learning methods in this setting.

cs.LG↗

Bayesian Nonparametrics for Offline Skill Discovery

Skills or low-level policies in reinforcement learning are temporally extended actions that can speed up learning and enable complex behaviours. Recent work in offline reinforcement learning and imitation learning has proposed several techniques for skill discovery from a set of expert trajectories. While these methods are promising, the number K of skills to discover is always a fixed hyperparameter, which requires either prior knowledge about the environment or an additional parameter search to tune it. We first propose a method for offline learning of options (a particular skill framework) exploiting advances in variational inference and continuous relaxations. We then highlight an unexplored connection between Bayesian nonparametrics and offline skill discovery, and show how to obtain a nonparametric version of our model. This version is tractable thanks to a carefully structured approximate posterior with a dynamically-changing number of options, removing the need to specify K. We also show how our nonparametric extension can be applied in other skill frameworks, and empirically demonstrate that our method can outperform state-of-the-art offline skill learning algorithms across a variety of environments. Our code is available at https://github.com/layer6ai-labs/BNPO .

cs.LG↗

Augment with Care: Contrastive Learning for Combinatorial Problems

Supervised learning can improve the design of state-of-the-art solvers for combinatorial problems, but labelling large numbers of combinatorial instances is often impractical due to exponential worst-case complexity. Inspired by the recent success of contrastive pre-training for images, we conduct a scientific study of the effect of augmentation design on contrastive pre-training for the Boolean satisfiability problem. While typical graph contrastive pre-training uses label-agnostic augmentations, our key insight is that many combinatorial problems have well-studied invariances, which allow for the design of label-preserving augmentations. We find that label-preserving augmentations are critical for the success of contrastive pre-training. We show that our representations are able to achieve comparable test accuracy to fully-supervised learning while using only 1% of the labels. We also demonstrate that our representations are more transferable to larger problems from unseen domains. Our code is available at https://github.com/h4duan/contrastive-sat.

cs.LG↗

The Machine Learning for Combinatorial Optimization Competition (ML4CO): Results and Insights

Combinatorial optimization is a well-established area in operations research and computer science. Until recently, its methods have focused on solving problem instances in isolation, ignoring that they often stem from related data distributions in practice. However, recent years have seen a surge of interest in using machine learning as a new approach for solving combinatorial problems, either directly as solvers or by enhancing exact solvers. Based on this context, the ML4CO aims at improving state-of-the-art combinatorial optimization solvers by replacing key heuristic components. The competition featured three challenging tasks: finding the best feasible solution, producing the tightest optimality certificate, and giving an appropriate solver configuration. Three realistic datasets were considered: balanced item placement, workload apportionment, and maritime inventory routing. This last dataset was kept anonymous for the contestants.

cs.LG↗

Optimal Representations for Covariate Shift

Machine learning systems often experience a distribution shift between training and testing. In this paper, we introduce a simple variational objective whose optima are exactly the set of all representations on which risk minimizers are guaranteed to be robust to any distribution shift that preserves the Bayes predictor, e.g., covariate shifts. Our objective has two components. First, a representation must remain discriminative for the task, i.e., some predictor must be able to simultaneously minimize the source and target risk. Second, the representation's marginal support needs to be the same across source and target. We make this practical by designing self-supervised objectives that only use unlabelled data and augmentations to train robust representations. Our objectives give insights into the robustness of CLIP, and further improve CLIP's representations to achieve SOTA results on DomainBed.

cs.LG↗

Lossy Compression for Lossless Prediction

Most data is automatically collected and only ever "seen" by algorithms. Yet, data compressors preserve perceptual fidelity rather than just the information needed by algorithms performing downstream tasks. In this paper, we characterize the bit-rate required to ensure high performance on all predictive tasks that are invariant under a set of transformations, such as data augmentations. Based on our theory, we design unsupervised objectives for training neural compressors. Using these objectives, we train a generic image compressor that achieves substantial rate savings (more than $1000\times$ on ImageNet) compared to JPEG on 8 datasets, without decreasing downstream classification performance.

cs.LG↗

Unbiased Gradient Estimation with Balanced Assignments for Mixtures of Experts

Training large-scale mixture of experts models efficiently on modern hardware requires assigning datapoints in a batch to different experts, each with a limited capacity. Recently proposed assignment procedures lack a probabilistic interpretation and use biased estimators for training. As an alternative, we propose two unbiased estimators based on principled stochastic assignment procedures: one that skips datapoints which exceed expert capacity, and one that samples perfectly balanced assignments using an extension of the Gumbel-Matching distribution [29]. Both estimators are unbiased, as they correct for the used sampling procedure. On a toy experiment, we find the `skip'-estimator is more effective than the balanced sampling one, and both are more robust in solving the task than biased alternatives.

cs.LG↗

Learning Generalized Gumbel-max Causal Mechanisms

To perform counterfactual reasoning in Structural Causal Models (SCMs), one needs to know the causal mechanisms, which provide factorizations of conditional distributions into noise sources and deterministic functions mapping realizations of noise to samples. Unfortunately, the causal mechanism is not uniquely identified by data that can be gathered by observing and interacting with the world, so there remains the question of how to choose causal mechanisms. In recent work, Oberst & Sontag (2019) propose Gumbel-max SCMs, which use Gumbel-max reparameterizations as the causal mechanism due to an intuitively appealing counterfactual stability property. In this work, we instead argue for choosing a causal mechanism that is best under a quantitative criteria such as minimizing variance when estimating counterfactual treatment effects. We propose a parameterized family of causal mechanisms that generalize Gumbel-max. We show that they can be trained to minimize counterfactual effect variance and other losses on a distribution of queries of interest, yielding lower variance estimates of counterfactual treatment effect than fixed alternatives, also generalizing to queries not seen at training time.

cs.LG↗

Improving Lossless Compression Rates via Monte Carlo Bits-Back Coding

Latent variable models have been successfully applied in lossless compression with the bits-back coding algorithm. However, bits-back suffers from an increase in the bitrate equal to the KL divergence between the approximate posterior and the true posterior. In this paper, we show how to remove this gap asymptotically by deriving bits-back coding algorithms from tighter variational bounds. The key idea is to exploit extended space representations of Monte Carlo estimators of the marginal likelihood. Naively applied, our schemes would require more initial bits than the standard bits-back coder, but we show how to drastically reduce this additional cost with couplings in the latent space. When parallel architectures can be exploited, our coders can achieve better rates than bits-back with little additional cost. We demonstrate improved lossless compression rates in a variety of settings, especially in out-of-distribution or sequential data compression.

cs.LG↗

Oops I Took A Gradient: Scalable Sampling for Discrete Distributions

We propose a general and scalable approximate sampling strategy for probabilistic models with discrete variables. Our approach uses gradients of the likelihood function with respect to its discrete inputs to propose updates in a Metropolis-Hastings sampler. We show empirically that this approach outperforms generic samplers in a number of difficult settings including Ising models, Potts models, restricted Boltzmann machines, and factorial hidden Markov models. We also demonstrate the use of our improved sampler for training deep energy-based models on high dimensional discrete data. This approach outperforms variational auto-encoders and existing energy-based models. Finally, we give bounds showing that our approach is near-optimal in the class of samplers which propose local updates.

cs.LG↗

Learning to Extend Program Graphs to Work-in-Progress Code

Source code spends most of its time in a broken or incomplete state during software development. This presents a challenge to machine learning for code, since high-performing models typically rely on graph structured representations of programs derived from traditional program analyses. Such analyses may be undefined for broken or incomplete code. We extend the notion of program graphs to work-in-progress code by learning to predict edge relations between tokens, training on well-formed code before transferring to work-in-progress code. We consider the tasks of code completion and localizing and repairing variable misuse in a work-in-process scenario. We demonstrate that training relation-aware models with fine-tuned edges consistently leads to improved performance on both tasks.

cs.LG↗

Gradient Estimation with Stochastic Softmax Tricks

The Gumbel-Max trick is the basis of many relaxed gradient estimators. These estimators are easy to implement and low variance, but the goal of scaling them comprehensively to large combinatorial distributions is still outstanding. Working within the perturbation model framework, we introduce stochastic softmax tricks, which generalize the Gumbel-Softmax trick to combinatorial spaces. Our framework is a unified perspective on existing relaxed estimators for perturbation models, and it contains many novel relaxations. We design structured relaxations for subset selection, spanning trees, arborescences, and others. When compared to less structured baselines, we find that stochastic softmax tricks can be used to train latent variable models that perform better and discover more latent structure.

stat.ML↗

Dual Space Preconditioning for Gradient Descent

The conditions of relative smoothness and relative strong convexity were recently introduced for the analysis of Bregman gradient methods for convex optimization. We introduce a generalized left-preconditioning method for gradient descent, and show that its convergence on an essentially smooth convex objective function can be guaranteed via an application of relative smoothness in the dual space. Our relative smoothness assumption is between the designed preconditioner and the convex conjugate of the objective, and it generalizes the typical Lipschitz gradient assumption. Under dual relative strong convexity, we obtain linear convergence with a generalized condition number that is invariant under horizontal translations, distinguishing it from Bregman gradient methods. Thus, in principle our method is capable of improving the conditioning of gradient descent on problems with non-Lipschitz gradient or non-strongly convex structure. We demonstrate our method on p-norm regression and exponential penalty function minimization.

math.OC↗