arXiv subjects

Roger Grosse

Publications and source records attributed to Roger Grosse.

At least 37 records · Page 2Linked to original sources

arXiv2022

On Implicit Bias in Overparameterized Bilevel Optimization

Many problems in machine learning involve bilevel optimization (BLO), including hyperparameter optimization, meta-learning, and dataset distillation. Bilevel problems consist of two nested sub-problems, called the outer and inner problems, respectively. In practice, often at least one of these sub-problems is overparameterized. In this case, there are many ways to choose among optima that achieve equivalent objective values. Inspired by recent studies of the implicit bias induced by optimization algorithms in single-level optimization, we investigate the implicit bias of gradient-based algorithms for bilevel optimization. We delineate two standard BLO methods -- cold-start and warm-start -- and show that the converged solution or long-run behavior depends to a large degree on these and other algorithmic choices, such as the hypergradient approximation. We also show that the inner solutions obtained by warm-start BLO can encode a surprising amount of information about the outer objective, even when the outer parameters are low-dimensional. We believe that implicit bias deserves as central a role in the study of bilevel optimization as it has attained in the study of single-level neural net optimization.

cs.LG↗

arXiv2022

Discovering Language Model Behaviors with Model-Written Evaluations

As language models (LMs) scale, they develop many novel behaviors, good and bad, exacerbating the need to evaluate how they behave. Prior work creates evaluations with crowdwork (which is time-consuming and expensive) or existing data sources (which are not always available). Here, we automatically generate evaluations with LMs. We explore approaches with varying amounts of human effort, from instructing LMs to write yes/no questions to making complex Winogender schemas with multiple stages of LM-based generation and filtering. Crowdworkers rate the examples as highly relevant and agree with 90-100% of labels, sometimes more so than corresponding human-written datasets. We generate 154 datasets and discover new cases of inverse scaling where LMs get worse with size. Larger LMs repeat back a dialog user's preferred answer ("sycophancy") and express greater desire to pursue concerning goals like resource acquisition and goal preservation. We also find some of the first examples of inverse scaling in RL from Human Feedback (RLHF), where more RLHF makes LMs worse. For example, RLHF makes LMs express stronger political views (on gun rights and immigration) and a greater desire to avoid shut down. Overall, LM-written evaluations are high-quality and let us quickly discover many novel LM behaviors.

cs.CL↗

arXiv2022

Path Independent Equilibrium Models Can Better Exploit Test-Time Computation

Designing networks capable of attaining better performance with an increased inference budget is important to facilitate generalization to harder problem instances. Recent efforts have shown promising results in this direction by making use of depth-wise recurrent networks. We show that a broad class of architectures named equilibrium models display strong upwards generalization, and find that stronger performance on harder examples (which require more iterations of inference to get correct) strongly correlates with the path independence of the system -- its tendency to converge to the same steady-state behaviour regardless of initialization, given enough computation. Experimental interventions made to promote path independence result in improved generalization on harder problem instances, while those that penalize it degrade this ability. Path independence analyses are also useful on a per-example basis: for equilibrium models that have good in-distribution performance, path independence on out-of-distribution samples strongly correlates with accuracy. Our results help explain why equilibrium models are capable of strong upwards generalization and motivates future work that harnesses path independence as a general modelling principle to facilitate scalable test-time usage.

cs.LG↗

arXiv2022

Toy Models of Superposition

Neural networks often pack many unrelated concepts into a single neuron - a puzzling phenomenon known as 'polysemanticity' which makes interpretability much more challenging. This paper provides a toy model where polysemanticity can be fully understood, arising as a result of models storing additional sparse features in "superposition." We demonstrate the existence of a phase change, a surprising connection to the geometry of uniform polytopes, and evidence of a link to adversarial examples. We also discuss potential implications for mechanistic interpretability.

cs.LG↗

arXiv2022

If Influence Functions are the Answer, Then What is the Question?

Influence functions efficiently estimate the effect of removing a single training data point on a model's learned parameters. While influence estimates align well with leave-one-out retraining for linear models, recent works have shown this alignment is often poor in neural networks. In this work, we investigate the specific factors that cause this discrepancy by decomposing it into five separate terms. We study the contributions of each term on a variety of architectures and datasets and how they vary with factors such as network width and training time. While practical influence function estimates may be a poor match to leave-one-out retraining for nonlinear networks, we show they are often a good approximation to a different object we term the proximal Bregman response function (PBRF). Since the PBRF can still be used to answer many of the questions motivating influence functions, such as identifying influential or mislabeled examples, our results suggest that current algorithms for influence function estimation give more informative results than previous error analyses would suggest.

cs.LG↗

arXiv2022

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↗

arXiv2022

LIME: Learning Inductive Bias for Primitives of Mathematical Reasoning

While designing inductive bias in neural architectures has been widely studied, we hypothesize that transformer networks are flexible enough to learn inductive bias from suitable generic tasks. Here, we replace architecture engineering by encoding inductive bias in the form of datasets. Inspired by Peirce's view that deduction, induction, and abduction are the primitives of reasoning, we design three synthetic tasks that are intended to require the model to have these three abilities. We specifically design these tasks to be synthetic and devoid of mathematical knowledge to ensure that only the fundamental reasoning biases can be learned from these tasks. This defines a new pre-training methodology called "LIME" (Learning Inductive bias for Mathematical rEasoning). Models trained with LIME significantly outperform vanilla transformers on four very different large mathematical reasoning benchmarks. Unlike dominating the computation cost as traditional pre-training approaches, LIME requires only a small fraction of the computation cost of the typical downstream task. The code for generating LIME tasks is available at https://github.com/tonywu95/LIME.

cs.LG↗

arXiv2022

Amortized Proximal Optimization

We propose a framework for online meta-optimization of parameters that govern optimization, called Amortized Proximal Optimization (APO). We first interpret various existing neural network optimizers as approximate stochastic proximal point methods which trade off the current-batch loss with proximity terms in both function space and weight space. The idea behind APO is to amortize the minimization of the proximal point objective by meta-learning the parameters of an update rule. We show how APO can be used to adapt a learning rate or a structured preconditioning matrix. Under appropriate assumptions, APO can recover existing optimizers such as natural gradient descent and KFAC. It enjoys low computational overhead and avoids expensive and numerically sensitive operations required by some second-order optimizers, such as matrix inverses. We empirically test APO for online adaptation of learning rates and structured preconditioning matrices for regression, image reconstruction, image classification, and natural language translation tasks. Empirically, the learning rate schedules found by APO generally outperform optimal fixed learning rates and are competitive with manually tuned decay schedules. Using APO to adapt a structured preconditioning matrix generally results in optimization performance competitive with second-order methods. Moreover, the absence of matrix inversion provides numerical stability, making it effective for low precision training.

cs.LG↗

arXiv2022

Near-optimal Local Convergence of Alternating Gradient Descent-Ascent for Minimax Optimization

Smooth minimax games often proceed by simultaneous or alternating gradient updates. Although algorithms with alternating updates are commonly used in practice, the majority of existing theoretical analyses focus on simultaneous algorithms for convenience of analysis. In this paper, we study alternating gradient descent-ascent (Alt-GDA) in minimax games and show that Alt-GDA is superior to its simultaneous counterpart~(Sim-GDA) in many settings. We prove that Alt-GDA achieves a near-optimal local convergence rate for strongly convex-strongly concave (SCSC) problems while Sim-GDA converges at a much slower rate. To our knowledge, this is the \emph{first} result of any setting showing that Alt-GDA converges faster than Sim-GDA by more than a constant. We further adapt the theory of integral quadratic constraints (IQC) and show that Alt-GDA attains the same rate \emph{globally} for a subclass of SCSC minimax problems. Empirically, we demonstrate that alternating updates speed up GAN training significantly and the use of optimism only helps for simultaneous algorithms.

cs.LG↗

arXiv2021

Understanding and Mitigating Exploding Inverses in Invertible Neural Networks

Invertible neural networks (INNs) have been used to design generative models, implement memory-saving gradient computation, and solve inverse problems. In this work, we show that commonly-used INN architectures suffer from exploding inverses and are thus prone to becoming numerically non-invertible. Across a wide range of INN use-cases, we reveal failures including the non-applicability of the change-of-variables formula on in- and out-of-distribution (OOD) data, incorrect gradients for memory-saving backprop, and the inability to sample from normalizing flow models. We further derive bi-Lipschitz properties of atomic building blocks of common architectures. These insights into the stability of INNs then provide ways forward to remedy these failures. For tasks where local invertibility is sufficient, like memory-saving backprop, we propose a flexible and efficient regularizer. For problems where global invertibility is necessary, such as applying normalizing flows on OOD data, we show the importance of designing stable INN building blocks.

cs.LG↗

arXiv2021

Differentiable Annealed Importance Sampling and the Perils of Gradient Noise

Annealed importance sampling (AIS) and related algorithms are highly effective tools for marginal likelihood estimation, but are not fully differentiable due to the use of Metropolis-Hastings correction steps. Differentiability is a desirable property as it would admit the possibility of optimizing marginal likelihood as an objective using gradient-based methods. To this end, we propose Differentiable AIS (DAIS), a variant of AIS which ensures differentiability by abandoning the Metropolis-Hastings corrections. As a further advantage, DAIS allows for mini-batch gradients. We provide a detailed convergence analysis for Bayesian linear regression which goes beyond previous analyses by explicitly accounting for the sampler not having reached equilibrium. Using this analysis, we prove that DAIS is consistent in the full-batch setting and provide a sublinear convergence rate. Furthermore, motivated by the problem of learning from large-scale datasets, we study a stochastic variant of DAIS that uses mini-batch gradients. Surprisingly, stochastic DAIS can be arbitrarily bad due to a fundamental incompatibility between the goals of last-iterate convergence to the posterior and elimination of the accumulated stochastic error. This is in stark contrast with other settings such as gradient-based optimization and Langevin dynamics, where the effect of gradient noise can be washed out by taking smaller steps. This indicates that annealing-based marginal likelihood estimation with stochastic gradients may require new ideas.

stat.ML↗

arXiv2021

Regularized linear autoencoders recover the principal components, eventually

Our understanding of learning input-output relationships with neural nets has improved rapidly in recent years, but little is known about the convergence of the underlying representations, even in the simple case of linear autoencoders (LAEs). We show that when trained with proper regularization, LAEs can directly learn the optimal representation -- ordered, axis-aligned principal components. We analyze two such regularization schemes: non-uniform $\ell_2$ regularization and a deterministic variant of nested dropout [Rippel et al, ICML' 2014]. Though both regularization schemes converge to the optimal representation, we show that this convergence is slow due to ill-conditioning that worsens with increasing latent dimension. We show that the inefficiency of learning the optimal representation is not inevitable -- we present a simple modification to the gradient descent update that greatly speeds up convergence empirically.

cs.LG↗

arXiv2021

Learning to Give Checkable Answers with Prover-Verifier Games

Our ability to know when to trust the decisions made by machine learning systems has not kept up with the staggering improvements in their performance, limiting their applicability in high-stakes domains. We introduce Prover-Verifier Games (PVGs), a game-theoretic framework to encourage learning agents to solve decision problems in a verifiable manner. The PVG consists of two learners with competing objectives: a trusted verifier network tries to choose the correct answer, and a more powerful but untrusted prover network attempts to persuade the verifier of a particular answer, regardless of its correctness. The goal is for a reliable justification protocol to emerge from this game. We analyze variants of the framework, including simultaneous and sequential games, and narrow the space down to a subset of games which provably have the desired equilibria. We develop instantiations of the PVG for two algorithmic tasks, and show that in practice, the verifier learns a robust decision rule that is able to receive useful and reliable information from an untrusted prover. Importantly, the protocol still works even when the verifier is frozen and the prover's messages are directly optimized to convince the verifier.

cs.LG↗

arXiv2021

Scalable Variational Gaussian Processes via Harmonic Kernel Decomposition

We introduce a new scalable variational Gaussian process approximation which provides a high fidelity approximation while retaining general applicability. We propose the harmonic kernel decomposition (HKD), which uses Fourier series to decompose a kernel as a sum of orthogonal kernels. Our variational approximation exploits this orthogonality to enable a large number of inducing points at a low computational cost. We demonstrate that, on a range of regression and classification problems, our approach can exploit input space symmetries such as translations and reflections, and it significantly outperforms standard variational methods in scalability and accuracy. Notably, our approach achieves state-of-the-art results on CIFAR-10 among pure GP models.

cs.LG↗

arXiv2021

A Unified Analysis of First-Order Methods for Smooth Games via Integral Quadratic Constraints

The theory of integral quadratic constraints (IQCs) allows the certification of exponential convergence of interconnected systems containing nonlinear or uncertain elements. In this work, we adapt the IQC theory to study first-order methods for smooth and strongly-monotone games and show how to design tailored quadratic constraints to get tight upper bounds of convergence rates. Using this framework, we recover the existing bound for the gradient method~(GD), derive sharper bounds for the proximal point method~(PPM) and optimistic gradient method~(OG), and provide \emph{for the first time} a global convergence rate for the negative momentum method~(NM) with an iteration complexity $\mathcal{O}(κ^{1.5})$, which matches its known lower bound. In addition, for time-varying systems, we prove that the gradient method with optimal step size achieves the fastest provable worst-case convergence rate with quadratic Lyapunov functions. Finally, we further extend our analysis to stochastic games and study the impact of multiplicative noise on different algorithms. We show that it is impossible for an algorithm with one step of memory to achieve acceleration if it only queries the gradient once per batch (in contrast with the stochastic strongly-convex optimization setting, where such acceleration has been demonstrated). However, we exhibit an algorithm which achieves acceleration with two gradient queries per batch.

math.OC↗

arXiv2021

Analyzing Monotonic Linear Interpolation in Neural Network Loss Landscapes

Linear interpolation between initial neural network parameters and converged parameters after training with stochastic gradient descent (SGD) typically leads to a monotonic decrease in the training objective. This Monotonic Linear Interpolation (MLI) property, first observed by Goodfellow et al. (2014) persists in spite of the non-convex objectives and highly non-linear training dynamics of neural networks. Extending this work, we evaluate several hypotheses for this property that, to our knowledge, have not yet been explored. Using tools from differential geometry, we draw connections between the interpolated paths in function space and the monotonicity of the network - providing sufficient conditions for the MLI property under mean squared error. While the MLI property holds under various settings (e.g. network architectures and learning problems), we show in practice that networks violating the MLI property can be produced systematically, by encouraging the weights to move far from initialization. The MLI property raises important questions about the loss landscape geometry of neural networks and highlights the need to further study their global properties.

cs.LG↗

arXiv2021

INT: An Inequality Benchmark for Evaluating Generalization in Theorem Proving

In learning-assisted theorem proving, one of the most critical challenges is to generalize to theorems unlike those seen at training time. In this paper, we introduce INT, an INequality Theorem proving benchmark, specifically designed to test agents' generalization ability. INT is based on a procedure for generating theorems and proofs; this procedure's knobs allow us to measure 6 different types of generalization, each reflecting a distinct challenge characteristic to automated theorem proving. In addition, unlike prior benchmarks for learning-assisted theorem proving, INT provides a lightweight and user-friendly theorem proving environment with fast simulations, conducive to performing learning-based and search-based research. We introduce learning-based baselines and evaluate them across 6 dimensions of generalization with the benchmark. We then evaluate the same agents augmented with Monte Carlo Tree Search (MCTS) at test time, and show that MCTS can help to prove new theorems.

cs.AI↗

arXiv2021

Beyond Marginal Uncertainty: How Accurately can Bayesian Regression Models Estimate Posterior Predictive Correlations?

While uncertainty estimation is a well-studied topic in deep learning, most such work focuses on marginal uncertainty estimates, i.e. the predictive mean and variance at individual input locations. But it is often more useful to estimate predictive correlations between the function values at different input locations. In this paper, we consider the problem of benchmarking how accurately Bayesian models can estimate predictive correlations. We first consider a downstream task which depends on posterior predictive correlations: transductive active learning (TAL). We find that TAL makes better use of models' uncertainty estimates than ordinary active learning, and recommend this as a benchmark for evaluating Bayesian models. Since TAL is too expensive and indirect to guide development of algorithms, we introduce two metrics which more directly evaluate the predictive correlations and which can be computed efficiently: meta-correlations (i.e. the correlations between the models correlation estimates and the true values), and cross-normalized likelihoods (XLL). We validate these metrics by demonstrating their consistency with TAL performance and obtain insights about the relative performance of current Bayesian neural net and Gaussian process models.

cs.LG↗