Kevin Swersky

Sadegh Mahdavi, Kevin Swersky, Thomas Kipf et al.

In this paper, we study the OOD generalization of neural algorithmic reasoning tasks, where the goal is to learn an algorithm (e.g., sorting, breadth-first search, and depth-first search) from input-output pairs using deep neural networks. First, we argue that OOD generalization in this setting is significantly different than common OOD settings. For example, some phenomena in OOD generalization of image classifications such as \emph{accuracy on the line} are not observed here, and techniques such as data augmentation methods do not help as assumptions underlying many augmentation techniques are often violated. Second, we analyze the main challenges (e.g., input distribution shift, non-representative data generation, and uninformative validation metrics) of the current leading benchmark, i.e., CLRS \citep{deepmind2021clrs}, which contains 30 algorithmic reasoning tasks. We propose several solutions, including a simple-yet-effective fix to the input distribution shift and improved data generation. Finally, we propose an attention-based 2WL-graph neural network (GNN) processor which complements message-passing GNNs so their combination outperforms the state-of-the-art model by a 3% margin averaged over all algorithms. Our code is available at: \url{https://github.com/smahdavi4/clrs}.

Kevin Clark, Paul Vicol, Kevin Swersky et al.

We present Direct Reward Fine-Tuning (DRaFT), a simple and effective method for fine-tuning diffusion models to maximize differentiable reward functions, such as scores from human preference models. We first show that it is possible to backpropagate the reward function gradient through the full sampling procedure, and that doing so achieves strong performance on a variety of rewards, outperforming reinforcement learning-based approaches. We then propose more efficient variants of DRaFT: DRaFT-K, which truncates backpropagation to only the last K steps of sampling, and DRaFT-LV, which obtains lower-variance gradient estimates for the case when K=1. We show that our methods work well for a variety of reward functions and can be used to substantially improve the aesthetic quality of images generated by Stable Diffusion 1.4. Finally, we draw connections between our approach and prior work, providing a unifying perspective on the design space of gradient-based fine-tuning algorithms.

Cristina Vasconcelos, Cengiz Oztireli, Mark Matthews et al. · deepmind

Neural fields have rapidly been adopted for representing 3D signals, but their application to more classical 2D image-processing has been relatively limited. In this paper, we consider one of the most important operations in image processing: upsampling. In deep learning, learnable upsampling layers have extensively been used for single image super-resolution. We propose to parameterize upsampling kernels as neural fields. This parameterization leads to a compact architecture that obtains a 40-fold reduction in the number of parameters when compared with competing arbitrary-scale super-resolution architectures. When upsampling images of size 256x256 we show that our architecture is 2x-10x more efficient than competing arbitrary-scale super-resolution architectures, and more efficient than sub-pixel convolutions when instantiated to a single-scale model. In the general setting, these gains grow polynomially with the square of the target scale. We validate our method on standard benchmarks showing such efficiency gains can be achieved without sacrifices in super-resolution performance.

Jiri Hron, Laura Culp, Gamaleldin Elsayed et al. · anthropic, deepmind

While many capabilities of language models (LMs) improve with increased training budget, the influence of scale on hallucinations is not yet fully understood. Hallucinations come in many forms, and there is no universally accepted definition. We thus focus on studying only those hallucinations where a correct answer appears verbatim in the training set. To fully control the training data content, we construct a knowledge graph (KG)-based dataset, and use it to train a set of increasingly large LMs. We find that for a fixed dataset, larger and longer-trained LMs hallucinate less. However, hallucinating on $\leq5$% of the training data requires an order of magnitude larger model, and thus an order of magnitude more compute, than Hoffmann et al. (2022) reported was optimal. Given this costliness, we study how hallucination detectors depend on scale. While we see detector size improves performance on fixed LM's outputs, we find an inverse relationship between the scale of the LM and the detectability of its hallucinations.

C. Daniel Freeman, Laura Culp, Aaron Parisi et al. · anthropic, deepmind

We introduce and study the problem of adversarial arithmetic, which provides a simple yet challenging testbed for language model alignment. This problem is comprised of arithmetic questions posed in natural language, with an arbitrary adversarial string inserted before the question is complete. Even in the simple setting of 1-digit addition problems, it is easy to find adversarial prompts that make all tested models (including PaLM2, GPT4, Claude2) misbehave, and even to steer models to a particular wrong answer. We additionally provide a simple algorithm for finding successful attacks by querying those same models, which we name "prompt inversion rejection sampling" (PIRS). We finally show that models can be partially hardened against these attacks via reinforcement learning and via agentic constitutional loops. However, we were not able to make a language model fully robust against adversarial arithmetic attacks.

Binghong Chen, Daniel Tarlow, Kevin Swersky et al.

Improvements in the performance of computing systems, driven by Moore's Law, have transformed society. As such hardware-driven gains slow down, it becomes even more important for software developers to focus on performance and efficiency during development. While several studies have demonstrated the potential from such improved code efficiency (e.g., 2x better generational improvements compared to hardware), unlocking these gains in practice has been challenging. Reasoning about algorithmic complexity and the interaction of coding patterns on hardware can be challenging for the average programmer, especially when combined with pragmatic constraints around development velocity and multi-person development. This paper seeks to address this problem. We analyze a large competitive programming dataset from the Google Code Jam competition and find that efficient code is indeed rare, with a 2x runtime difference between the median and the 90th percentile of solutions. We propose using machine learning to automatically provide prescriptive feedback in the form of hints, to guide programmers towards writing high-performance code. To automatically learn these hints from the dataset, we propose a novel discrete variational auto-encoder, where each discrete latent variable represents a different learned category of code-edit that increases performance. We show that this method represents the multi-modal space of code efficiency edits better than a sequence-to-sequence baseline and generates a distribution of more efficient solutions.

Zi Wang, George E. Dahl, Kevin Swersky et al.

Bayesian optimization (BO) has become a popular strategy for global optimization of many expensive real-world functions. Contrary to a common belief that BO is suited to optimizing black-box functions, it actually requires domain knowledge on characteristics of those functions to deploy BO successfully. Such domain knowledge often manifests in Gaussian process priors that specify initial beliefs on functions. However, even with expert knowledge, it is not an easy task to select a prior. This is especially true for hyperparameter tuning problems on complex machine learning models, where landscapes of tuning objectives are often difficult to comprehend. We seek an alternative practice for setting these functional priors. In particular, we consider the scenario where we have data from similar functions that allow us to pre-train a tighter distribution a priori. To verify our approach in realistic model training setups, we collected a large multi-task hyperparameter tuning dataset by training tens of thousands of configurations of near-state-of-the-art models on popular image and text datasets, as well as a protein sequence dataset. Our results show that on average, our method is able to locate good hyperparameters at least 3 times more efficiently than the best competing methods.

Paul Vicol, Zico Kolter, Kevin Swersky

We propose an evolution strategies-based algorithm for estimating gradients in unrolled computation graphs, called ES-Single. Similarly to the recently-proposed Persistent Evolution Strategies (PES), ES-Single is unbiased, and overcomes chaos arising from recursive function applications by smoothing the meta-loss landscape. ES-Single samples a single perturbation per particle, that is kept fixed over the course of an inner problem (e.g., perturbations are not re-sampled for each partial unroll). Compared to PES, ES-Single is simpler to implement and has lower variance: the variance of ES-Single is constant with respect to the number of truncated unrolls, removing a key barrier in applying ES to long inner problems using short truncations. We show that ES-Single is unbiased for quadratic inner problems, and demonstrate empirically that its variance can be substantially lower than that of PES. ES-Single consistently outperforms PES on a variety of tasks, including a synthetic benchmark task, hyperparameter optimization, training recurrent neural networks, and training learned optimizers.

Jeffrey Jian Ma, Milad Hashemi, Amir Yazdanbakhsh et al.

Optimizing the performance of large-scale software repositories demands expertise in code reasoning and software engineering (SWE) to reduce runtime while preserving program correctness. However, most benchmarks emphasize what to fix rather than how to fix code. We introduce SWE-fficiency, a benchmark for evaluating repository-level performance optimization on real workloads. Our suite contains 498 tasks across nine widely used data-science, machine-learning, and HPC repositories (e.g., numpy, pandas, scipy): given a complete codebase and a slow workload, an agent must investigate code semantics, localize bottlenecks and relevant tests, and produce a patch that matches or exceeds expert speedup while passing the same unit tests. To enable this how-to-fix evaluation, our automated pipeline scrapes GitHub pull requests for performance-improving edits, combining keyword filtering, static analysis, coverage tooling, and execution validation to both confirm expert speedup baselines and identify relevant repository unit tests. Empirical evaluation of state-of-the-art agents reveals significant underperformance. On average, agents achieve less than 0.15x the expert speedup: agents struggle in localizing optimization opportunities, reasoning about execution across functions, and maintaining correctness in proposed edits. We release the benchmark and accompanying data pipeline to facilitate research on automated performance engineering and long-horizon software reasoning.

Bernd Bohnet, Pierre-Alexandre Kamienny, Hanie Sedghi et al.

We demonstrate an approach for LLMs to critique their \emph{own} answers with the goal of enhancing their performance that leads to significant improvements over established planning benchmarks. Despite the findings of earlier research that has cast doubt on the effectiveness of LLMs leveraging self critique methods, we show significant performance gains on planning datasets in the Blocksworld domain through intrinsic self-critique, without external source such as a verifier. We also demonstrate similar improvements on Logistics and Mini-grid datasets, exceeding strong baseline accuracies. We employ a few-shot learning technique and progressively extend it to a many-shot approach as our base method and demonstrate that it is possible to gain substantial improvement on top of this already competitive approach by employing an iterative process for correction and refinement. We illustrate how self-critique can significantly boost planning performance. Our empirical results present new state-of-the-art on the class of models considered, namely LLM model checkpoints from October 2024. Our primary focus lies on the method itself, demonstrating intrinsic self-improvement capabilities that are applicable regardless of the specific model version, and we believe that applying our method to more complex search techniques and more capable models will lead to even better performance.

Bernd Bohnet, Michael C. Mozer, Kevin Swersky et al.

Classic AI planning problems have been revisited in the Large Language Model (LLM) era, with a focus of recent benchmarks on success rates rather than plan efficiency. We examine the degree to which frontier models reason optimally versus relying on simple, heuristic, and possibly inefficient strategies. We focus on the Blocksworld domain involving towers of labeled blocks which have to be moved from an initial to a goal configuration via a set of primitive actions. We also study a formally equivalent task, the generalized Path-Star ($P^*$) graph, in order to isolate true topological reasoning from semantic priors. We systematically manipulate problem depth (the height of block towers), width (the number of towers), and compositionality (the number of goal blocks). Reasoning-enhanced LLMs significantly outperform traditional satisficing planners (e.g., LAMA) in complex, multi-goal configurations. Although classical search algorithms hit a wall as the search space expands, LLMs track theoretical optimality limits with near-perfect precision, even when domain-specific semantic hints are stripped away. To explain these surprising findings, we consider (and find evidence to support) two hypotheses: an active Algorithmic Simulation executed via reasoning tokens and a Geometric Memory that allows models to represent the $P^*$ topology as a navigable global geometry, effectively bypassing exponential combinatorial complexity.

Bernd Bohnet, Rumen Dangovski, Kevin Swersky et al.

The remarkable capabilities of Large Language Models (LLMs) often need to be tailored for specific applications, requiring the integration of new knowledge or the acquisition of new skills. While full fine-tuning is a powerful adaptation method, it is computationally expensive and can lead to a degradation of general reasoning abilities, a phenomenon known as catastrophic forgetting. A range of alternative techniques exists, each with its own trade-offs. In-Context Learning (ICL) is fast but limited by context length, while Parameter-Efficient Fine-Tuning (PEFT) methods like Low-Rank Adaptation (LoRA) offer a middle ground by minimizing parameter changes. However, the challenge of catastrophic forgetting persists, raising questions about the best adaptation strategy for a given task. This paper presents a comparative analysis of Supervised Finetuning (SFT), LoRA, and ICL in data-scarce scenarios. We find that LoRA provides the most effective balance, successfully instilling new skills with minimal impact on the base model's general knowledge. In contrast, while SFT excels at skill acquisition, it is highly susceptible to catastrophic forgetting. ICL is effective for incorporating factual knowledge but struggles with complex skills. Our findings offer a practical framework for selecting an LLM adaptation strategy. We highlight the critical distinction between skill acquisition and knowledge integration, clarify the trade-offs between task-specific performance and the preservation of general capabilities.

Saman Motamed, Laura Culp, Kevin Swersky et al.

AI video generation is undergoing a revolution, with quality and realism advancing rapidly. These advances have led to a passionate scientific debate: Do video models learn "world models" that discover laws of physics -- or, alternatively, are they merely sophisticated pixel predictors that achieve visual realism without understanding the physical principles of reality? We address this question by developing Physics-IQ, a comprehensive benchmark dataset that can only be solved by acquiring a deep understanding of various physical principles, like fluid dynamics, optics, solid mechanics, magnetism and thermodynamics. We find that across a range of current models (Sora, Runway, Pika, Lumiere, Stable Video Diffusion, and VideoPoet), physical understanding is severely limited, and unrelated to visual realism. At the same time, some test cases can already be successfully solved. This indicates that acquiring certain physical principles from observation alone may be possible, but significant challenges remain. While we expect rapid advances ahead, our work demonstrates that visual realism does not imply physical understanding. Our project page is at https://physics-iq.github.io; code at https://github.com/google-deepmind/physics-IQ-benchmark.

Gemini Team, Petko Georgiev, Ving Ian Lei et al. · deepmind, mila

In this report, we introduce the Gemini 1.5 family of models, representing the next generation of highly compute-efficient multimodal models capable of recalling and reasoning over fine-grained information from millions of tokens of context, including multiple long documents and hours of video and audio. The family includes two new models: (1) an updated Gemini 1.5 Pro, which exceeds the February version on the great majority of capabilities and benchmarks; (2) Gemini 1.5 Flash, a more lightweight variant designed for efficiency with minimal regression in quality. Gemini 1.5 models achieve near-perfect recall on long-context retrieval tasks across modalities, improve the state-of-the-art in long-document QA, long-video QA and long-context ASR, and match or surpass Gemini 1.0 Ultra's state-of-the-art performance across a broad set of benchmarks. Studying the limits of Gemini 1.5's long-context ability, we find continued improvement in next-token prediction and near-perfect retrieval (>99%) up to at least 10M tokens, a generational leap over existing models such as Claude 3.0 (200k) and GPT-4 Turbo (128k). Finally, we highlight real-world use cases, such as Gemini 1.5 collaborating with professionals on completing their tasks achieving 26 to 75% time savings across 10 different job categories, as well as surprising new capabilities of large language models at the frontier; when given a grammar manual for Kalamang, a language with fewer than 200 speakers worldwide, the model learns to translate English to Kalamang at a similar level to a person who learned from the same content.

Avi Singh, John D. Co-Reyes, Rishabh Agarwal et al. · anthropic, deepmind

Fine-tuning language models~(LMs) on human-generated data remains a prevalent practice. However, the performance of such models is often limited by the quantity and diversity of high-quality human data. In this paper, we explore whether we can go beyond human data on tasks where we have access to scalar feedback, for example, on math problems where one can verify correctness. To do so, we investigate a simple self-training method based on expectation-maximization, which we call ReST$^{EM}$, where we (1) generate samples from the model and filter them using binary feedback, (2) fine-tune the model on these samples, and (3) repeat this process a few times. Testing on advanced MATH reasoning and APPS coding benchmarks using PaLM-2 models, we find that ReST$^{EM}$ scales favorably with model size and significantly surpasses fine-tuning only on human data. Overall, our findings suggest self-training with feedback can substantially reduce dependence on human-generated data.

Thaddäus Wiedemer, Yuxuan Li, Paul Vicol et al.

The remarkable zero-shot capabilities of Large Language Models (LLMs) have propelled natural language processing from task-specific models to unified, generalist foundation models. This transformation emerged from simple primitives: large, generative models trained on web-scale data. Curiously, the same primitives apply to today's generative video models. Could video models be on a trajectory towards general-purpose vision understanding, much like LLMs developed general-purpose language understanding? We demonstrate that Veo 3 can solve a broad variety of tasks it wasn't explicitly trained for: segmenting objects, detecting edges, editing images, understanding physical properties, recognizing object affordances, simulating tool use, and more. These abilities to perceive, model, and manipulate the visual world enable early forms of visual reasoning like maze and symmetry solving. Veo's emergent zero-shot capabilities indicate that video models are on a path to becoming unified, generalist vision foundation models.

Bernd Bohnet, Azade Nova, Aaron T Parisi et al.

Classical and natural language planning tasks remain a difficult domain for modern large language models (LLMs). In this work, we lay the foundations for improving planning capabilities of LLMs. First, we construct a comprehensive benchmark suite encompassing both classical planning benchmarks and natural language scenarios. This suite includes algorithms to methodically generate instances of tasks with varying levels of difficulty, allowing for rigorous and systematic evaluation of LLM performance. Next, we investigate the use of many-shot in-context learning to enhance LLM planning, exploring the relationship between increased context length and improved planning performance. In addition, we demonstrate the positive impact of fine-tuning LLMs on optimal planning paths. We also probe the efficacy of chain-of-thought reasoning methods to improve LLM planning performance. Moreover, we probe the performance of the proposed methods in out-of-distribution scenarios, assessing the ability to generalize to novel and unseen planning challenges. Finally, we investigate model's failure modes and reveal insights that hold true across different benchmarks.

Aviral Kumar, Amir Yazdanbakhsh, Milad Hashemi et al.

Industry has gradually moved towards application-specific hardware accelerators in order to attain higher efficiency. While such a paradigm shift is already starting to show promising results, designers need to spend considerable manual effort and perform a large number of time-consuming simulations to find accelerators that can accelerate multiple target applications while obeying design constraints. Moreover, such a "simulation-driven" approach must be re-run from scratch every time the set of target applications or design constraints change. An alternative paradigm is to use a "data-driven", offline approach that utilizes logged simulation data, to architect hardware accelerators, without needing any form of simulations. Such an approach not only alleviates the need to run time-consuming simulation, but also enables data reuse and applies even when set of target applications changes. In this paper, we develop such a data-driven offline optimization method for designing hardware accelerators, dubbed PRIME, that enjoys all of these properties. Our approach learns a conservative, robust estimate of the desired cost function, utilizes infeasible points, and optimizes the design against this estimate without any additional simulator queries during optimization. PRIME architects accelerators -- tailored towards both single and multiple applications -- improving performance upon state-of-the-art simulation-driven methods by about 1.54x and 1.20x, while considerably reducing the required total simulation time by 93% and 99%, respectively. In addition, PRIME also architects effective accelerators for unseen applications in a zero-shot setting, outperforming simulation-based methods by 1.26x.

Zi Wang, George E. Dahl, Kevin Swersky et al.

Bayesian optimization (BO) has become a popular strategy for global optimization of expensive real-world functions. Contrary to a common expectation that BO is suited to optimizing black-box functions, it actually requires domain knowledge about those functions to deploy BO successfully. Such domain knowledge often manifests in Gaussian process (GP) priors that specify initial beliefs on functions. However, even with expert knowledge, it is non-trivial to quantitatively define a prior. This is especially true for hyperparameter tuning problems on complex machine learning models, where landscapes of tuning objectives are often difficult to comprehend. We seek an alternative practice for setting these functional priors. In particular, we consider the scenario where we have data from similar functions that allow us to pre-train a tighter distribution a priori. We detail what pre-training entails for GPs using a KL divergence based loss function, and propose a new pre-training based BO framework named HyperBO. Theoretically, we show bounded posterior predictions and near-zero regrets for HyperBO without assuming the "ground truth" GP prior is known. To verify our approach in realistic setups, we collect a large multi-task hyperparameter tuning dataset by training tens of thousands of configurations of near-state-of-the-art deep learning models on popular image and text datasets, as well as a protein sequence dataset. Our results show that on average, HyperBO is able to locate good hyperparameters at least 3 times more efficiently than the best competing methods on both our new tuning dataset and existing multi-task BO benchmarks.

Yujun Yan, Milad Hashemi, Kevin Swersky et al.

In node classification tasks, graph convolutional neural networks (GCNs) have demonstrated competitive performance over traditional methods on diverse graph data. However, it is known that the performance of GCNs degrades with increasing number of layers (oversmoothing problem) and recent studies have also shown that GCNs may perform worse in heterophilous graphs, where neighboring nodes tend to belong to different classes (heterophily problem). These two problems are usually viewed as unrelated, and thus are studied independently, often at the graph filter level from a spectral perspective. We are the first to take a unified perspective to jointly explain the oversmoothing and heterophily problems at the node level. Specifically, we profile the nodes via two quantitative metrics: the relative degree of a node (compared to its neighbors) and the node-level heterophily. Our theory shows that the interplay of these two profiling metrics defines three cases of node behaviors, which explain the oversmoothing and heterophily problems jointly and can predict the performance of GCNs. Based on insights from our theory, we show theoretically and empirically the effectiveness of two strategies: structure-based edge correction, which learns corrected edge weights from structural properties (i.e., degrees), and feature-based edge correction, which learns signed edge weights from node features. Compared to other approaches, which tend to handle well either heterophily or oversmoothing, we show that {our model, GGCN}, which incorporates the two strategies performs well in both problems.

Will Grathwohl, Kevin Swersky, Milad Hashemi et al.

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.

Amir Yazdanbakhsh, Christof Angermueller, Berkin Akin et al.

The looming end of Moore's Law and ascending use of deep learning drives the design of custom accelerators that are optimized for specific neural architectures. Architecture exploration for such accelerators forms a challenging constrained optimization problem over a complex, high-dimensional, and structured input space with a costly to evaluate objective function. Existing approaches for accelerator design are sample-inefficient and do not transfer knowledge between related optimizations tasks with different design constraints, such as area and/or latency budget, or neural architecture configurations. In this work, we propose a transferable architecture exploration framework, dubbed Apollo, that leverages recent advances in black-box function optimization for sample-efficient accelerator design. We use this framework to optimize accelerator configurations of a diverse set of neural architectures with alternative design constraints. We show that our framework finds high reward design configurations (up to 24.6% speedup) more sample-efficiently than a baseline black-box optimization approach. We further show that by transferring knowledge between target architectures with different design constraints, Apollo is able to find optimal configurations faster and often with better objective value (up to 25% improvements). This encouraging outcome portrays a promising path forward to facilitate generating higher quality accelerators.

Francis Williams, Or Litany, Avneesh Sud et al.

We introduce a technique for 3D human keypoint estimation that directly models the notion of spatial uncertainty of a keypoint. Our technique employs a principled approach to modelling spatial uncertainty inspired from techniques in robust statistics. Furthermore, our pipeline requires no 3D ground truth labels, relying instead on (possibly noisy) 2D image-level keypoints. Our method achieves near state-of-the-art performance on Human3.6m while being efficient to evaluate and straightforward to

Will Grathwohl, Jacob Kelly, Milad Hashemi et al.

Energy-Based Models (EBMs) present a flexible and appealing way to represent uncertainty. Despite recent advances, training EBMs on high-dimensional data remains a challenging problem as the state-of-the-art approaches are costly, unstable, and require considerable tuning and domain expertise to apply successfully. In this work, we present a simple method for training EBMs at scale which uses an entropy-regularized generator to amortize the MCMC sampling typically used in EBM training. We improve upon prior MCMC-based entropy regularization methods with a fast variational approximation. We demonstrate the effectiveness of our approach by using it to train tractable likelihood models. Next, we apply our estimator to the recently proposed Joint Energy Model (JEM), where we match the original performance with faster and stable training. This allows us to extend JEM models to semi-supervised classification on tabular data from a variety of continuous domains.

Zhan Shi, Chirag Sakhuja, Milad Hashemi et al.

The use of deep learning has grown at an exponential rate, giving rise to numerous specialized hardware and software systems for deep learning. Because the design space of deep learning software stacks and hardware accelerators is diverse and vast, prior work considers software optimizations separately from hardware architectures, effectively reducing the search space. Unfortunately, this bifurcated approach means that many profitable design points are never explored. This paper instead casts the problem as hardware/software co-design, with the goal of automatically identifying desirable points in the joint design space. The key to our solution is a new constrained Bayesian optimization framework that avoids invalid solutions by exploiting the highly constrained features of this design space, which are semi-continuous/semi-discrete. We evaluate our optimization framework by applying it to a variety of neural models, improving the energy-delay product by 18% (ResNet) and 40% (DQN) over hand-tuned state-of-the-art systems, as well as demonstrating strong results on other neural network architectures, such as MLPs and Transformers.

Martin Mladenov, Elliot Creager, Omer Ben-Porat et al.

Most recommender systems (RS) research assumes that a user's utility can be maximized independently of the utility of the other agents (e.g., other users, content providers). In realistic settings, this is often not true---the dynamics of an RS ecosystem couple the long-term utility of all agents. In this work, we explore settings in which content providers cannot remain viable unless they receive a certain level of user engagement. We formulate the recommendation problem in this setting as one of equilibrium selection in the induced dynamical system, and show that it can be solved as an optimal constrained matching problem. Our model ensures the system reaches an equilibrium with maximal social welfare supported by a sufficiently diverse set of viable providers. We demonstrate that even in a simple, stylized dynamical RS model, the standard myopic approach to recommendation---always matching a user to the best provider---performs poorly. We develop several scalable techniques to solve the matching problem, and also draw connections to various notions of user regret and fairness, arguing that these outcomes are fairer in a utilitarian sense.

Evan Zheran Liu, Milad Hashemi, Kevin Swersky et al.

Program execution speed critically depends on increasing cache hits, as cache hits are orders of magnitude faster than misses. To increase cache hits, we focus on the problem of cache replacement: choosing which cache line to evict upon inserting a new line. This is challenging because it requires planning far ahead and currently there is no known practical solution. As a result, current replacement policies typically resort to heuristics designed for specific common access patterns, which fail on more diverse and complex access patterns. In contrast, we propose an imitation learning approach to automatically learn cache access patterns by leveraging Belady's, an oracle policy that computes the optimal eviction decision given the future cache accesses. While directly applying Belady's is infeasible since the future is unknown, we train a policy conditioned only on past accesses that accurately approximates Belady's even on diverse and complex access patterns, and call this approach Parrot. When evaluated on 13 of the most memory-intensive SPEC applications, Parrot increases cache miss rates by 20% over the current state of the art. In addition, on a large-scale web search benchmark, Parrot increases cache hit rates by 61% over a conventional LRU policy. We release a Gym environment to facilitate research in this area, as data is plentiful, and further advancements can have significant real-world impact.

Ting Chen, Simon Kornblith, Kevin Swersky et al.

One paradigm for learning from few labeled examples while making best use of a large amount of unlabeled data is unsupervised pretraining followed by supervised fine-tuning. Although this paradigm uses unlabeled data in a task-agnostic way, in contrast to common approaches to semi-supervised learning for computer vision, we show that it is surprisingly effective for semi-supervised learning on ImageNet. A key ingredient of our approach is the use of big (deep and wide) networks during pretraining and fine-tuning. We find that, the fewer the labels, the more this approach (task-agnostic use of unlabeled data) benefits from a bigger network. After fine-tuning, the big network can be further improved and distilled into a much smaller one with little loss in classification accuracy by using the unlabeled examples for a second time, but in a task-specific way. The proposed semi-supervised learning algorithm can be summarized in three steps: unsupervised pretraining of a big ResNet model using SimCLRv2, supervised fine-tuning on a few labeled examples, and distillation with unlabeled examples for refining and transferring the task-specific knowledge. This procedure achieves 73.9% ImageNet top-1 accuracy with just 1% of the labels ($\le$13 labeled images per class) using ResNet-50, a $10\times$ improvement in label efficiency over the previous state-of-the-art. With 10% of labels, ResNet-50 trained with our method achieves 77.5% top-1 accuracy, outperforming standard supervised training with all of the labels.

Yujun Yan, Kevin Swersky, Danai Koutra et al.

A significant effort has been made to train neural networks that replicate algorithmic reasoning, but they often fail to learn the abstract concepts underlying these algorithms. This is evidenced by their inability to generalize to data distributions that are outside of their restricted training sets, namely larger inputs and unseen data. We study these generalization issues at the level of numerical subroutines that comprise common algorithms like sorting, shortest paths, and minimum spanning trees. First, we observe that transformer-based sequence-to-sequence models can learn subroutines like sorting a list of numbers, but their performance rapidly degrades as the length of lists grows beyond those found in the training set. We demonstrate that this is due to attention weights that lose fidelity with longer sequences, particularly when the input numbers are numerically similar. To address the issue, we propose a learned conditional masking mechanism, which enables the model to strongly generalize far outside of its training range with near-perfect accuracy on a variety of algorithms. Second, to generalize to unseen data, we show that encoding numbers with a binary representation leads to embeddings with rich structure once trained on downstream tasks like addition or multiplication. This allows the embedding to handle missing data by faithfully interpolating numbers not seen during training.

Micha Livne, Kevin Swersky, David J. Fleet

SentenceMIM is a probabilistic auto-encoder for language data, trained with Mutual Information Machine (MIM) learning to provide a fixed length representation of variable length language observations (i.e., similar to VAE). Previous attempts to learn VAEs for language data faced challenges due to posterior collapse. MIM learning encourages high mutual information between observations and latent variables, and is robust against posterior collapse. As such, it learns informative representations whose dimension can be an order of magnitude higher than existing language VAEs. Importantly, the SentenceMIM loss has no hyper-parameters, simplifying optimization. We compare sentenceMIM with VAE, and AE on multiple datasets. SentenceMIM yields excellent reconstruction, comparable to AEs, with a rich structured latent space, comparable to VAEs. The structured latent representation is demonstrated with interpolation between sentences of different lengths. We demonstrate the versatility of sentenceMIM by utilizing a trained model for question-answering and transfer learning, without fine-tuning, outperforming VAE and AE with similar architectures.

Will Grathwohl, Kuan-Chieh Wang, Jörn-Henrik Jacobsen et al.

We propose to reinterpret a standard discriminative classifier of p(y|x) as an energy based model for the joint distribution p(x,y). In this setting, the standard class probabilities can be easily computed as well as unnormalized values of p(x) and p(x|y). Within this framework, standard discriminative architectures may beused and the model can also be trained on unlabeled data. We demonstrate that energy based training of the joint distribution improves calibration, robustness, andout-of-distribution detection while also enabling our models to generate samplesrivaling the quality of recent GAN approaches. We improve upon recently proposed techniques for scaling up the training of energy based models and presentan approach which adds little overhead compared to standard classification training. Our approach is the first to achieve performance rivaling the state-of-the-artin both generative and discriminative learning within one hybrid model.

Micha Livne, Kevin Swersky, David J. Fleet

We introduce the Mutual Information Machine (MIM), a probabilistic auto-encoder for learning joint distributions over observations and latent variables. MIM reflects three design principles: 1) low divergence, to encourage the encoder and decoder to learn consistent factorizations of the same underlying distribution; 2) high mutual information, to encourage an informative relation between data and latent variables; and 3) low marginal entropy, or compression, which tends to encourage clustered latent representations. We show that a combination of the Jensen-Shannon divergence and the joint entropy of the encoding and decoding distributions satisfies these criteria, and admits a tractable cross-entropy bound that can be optimized directly with Monte Carlo and stochastic gradient descent. We contrast MIM learning with maximum likelihood and VAEs. Experiments show that MIM learns representations with high mutual information, consistent encoding and decoding distributions, effective latent clustering, and data log likelihood comparable to VAE, while avoiding posterior collapse.

Micha Livne, Kevin Swersky, David J. Fleet

We introduce the Mutual Information Machine (MIM), a novel formulation of representation learning, using a joint distribution over the observations and latent state in an encoder/decoder framework. Our key principles are symmetry and mutual information, where symmetry encourages the encoder and decoder to learn different factorizations of the same underlying distribution, and mutual information, to encourage the learning of useful representations for downstream tasks. Our starting point is the symmetric Jensen-Shannon divergence between the encoding and decoding joint distributions, plus a mutual information encouraging regularizer. We show that this can be bounded by a tractable cross entropy loss function between the true model and a parameterized approximation, and relate this to the maximum likelihood framework. We also relate MIM to variational autoencoders (VAEs) and demonstrate that MIM is capable of learning symmetric factorizations, with high mutual information that avoids posterior collapse.

Zhan Shi, Kevin Swersky, Daniel Tarlow et al.

As the performance of computer systems stagnates due to the end of Moore's Law, there is a need for new models that can understand and optimize the execution of general purpose code. While there is a growing body of work on using Graph Neural Networks (GNNs) to learn representations of source code, these representations do not understand how code dynamically executes. In this work, we propose a new approach to use GNNs to learn fused representations of general source code and its execution. Our approach defines a multi-task GNN over low-level representations of source code and program state (i.e., assembly code and dynamic memory states), converting complex source code constructs and complex data structures into a simpler, more uniform format. We show that this leads to improved performance over similar methods that do not use execution and it opens the door to applying GNN models to new tasks that would not be feasible from static code alone. As an illustration of this, we apply the new model to challenging dynamic tasks (branch prediction and prefetching) from the SPEC CPU benchmark suite, outperforming the state-of-the-art by 26% and 45% respectively. Moreover, we use the learned fused graph embeddings to demonstrate transfer learning with high performance on an indirectly related task (algorithm classification).

Elliot Creager, David Madras, Jörn-Henrik Jacobsen et al.

We consider the problem of learning representations that achieve group and subgroup fairness with respect to multiple sensitive attributes. Taking inspiration from the disentangled representation learning literature, we propose an algorithm for learning compact representations of datasets that are useful for reconstruction and prediction, but are also \emph{flexibly fair}, meaning they can be easily modified at test time to achieve subgroup demographic parity with respect to multiple sensitive attributes and their conjunctions. We show empirically that the resulting encoder---which does not require the sensitive attributes for inference---enables the adaptation of a single representation to a variety of fair classification tasks with new target labels and subgroup definitions.

Aidan N. Gomez, Ivan Zhang, Siddhartha Rao Kamalakara et al.

Neural networks are easier to optimise when they have many more weights than are required for modelling the mapping from inputs to outputs. This suggests a two-stage learning procedure that first learns a large net and then prunes away connections or hidden units. But standard training does not necessarily encourage nets to be amenable to pruning. We introduce targeted dropout, a method for training a neural network so that it is robust to subsequent pruning. Before computing the gradients for each weight update, targeted dropout stochastically selects a set of units or weights to be dropped using a simple self-reinforcing sparsity criterion and then computes the gradients for the remaining weights. The resulting network is robust to post hoc pruning of weights or units that frequently occur in the dropped sets. The method improves upon more complicated sparsifying regularisers while being simple to implement and easy to tune.

Jenny Liu, Aviral Kumar, Jimmy Ba et al.

We introduce graph normalizing flows: a new, reversible graph neural network model for prediction and generation. On supervised tasks, graph normalizing flows perform similarly to message passing neural networks, but at a significantly reduced memory footprint, allowing them to scale to larger graphs. In the unsupervised case, we combine graph normalizing flows with a novel graph auto-encoder to create a generative model of graph structures. Our model is permutation-invariant, generating entire graphs with a single feed-forward pass, and achieves competitive results with the state-of-the art auto-regressive models, while being better suited to parallel computing architectures.

Rui Zhao, David Bieber, Kevin Swersky et al.

Programming languages are emerging as a challenging and interesting domain for machine learning. A core task, which has received significant attention in recent years, is building generative models of source code. However, to our knowledge, previous generative models have always been framed in terms of generating static snapshots of code. In this work, we instead treat source code as a dynamic object and tackle the problem of modeling the edits that software developers make to source code files. This requires extracting intent from previous edits and leveraging it to generate subsequent edits. We develop several neural networks and use synthetic data to test their ability to learn challenging edit patterns that require strong generalization. We then collect and train our models on a large-scale dataset of Google source code, consisting of millions of fine-grained edits from thousands of Python developers. From the modeling perspective, our main conclusion is that a new composition of attentional and pointer network components provides the best overall performance and scalability. From the application perspective, our results provide preliminary evidence of the feasibility of developing tools that learn to predict future edits.

Eleni Triantafillou, Tyler Zhu, Vincent Dumoulin et al.

Few-shot classification refers to learning a classifier for new classes given only a few examples. While a plethora of models have emerged to tackle it, we find the procedure and datasets that are used to assess their progress lacking. To address this limitation, we propose Meta-Dataset: a new benchmark for training and evaluating models that is large-scale, consists of diverse datasets, and presents more realistic tasks. We experiment with popular baselines and meta-learners on Meta-Dataset, along with a competitive method that we propose. We analyze performance as a function of various characteristics of test tasks and examine the models' ability to leverage diverse training sources for improving their generalization. We also propose a new set of baselines for quantifying the benefit of meta-learning in Meta-Dataset. Our extensive experimentation has uncovered important research challenges and we hope to inspire work in these directions.

Milad Hashemi, Kevin Swersky, Jamie A. Smith et al.

The explosion in workload complexity and the recent slow-down in Moore's law scaling call for new approaches towards efficient computing. Researchers are now beginning to use recent advances in machine learning in software optimizations, augmenting or replacing traditional heuristics and data structures. However, the space of machine learning for computer hardware architecture is only lightly explored. In this paper, we demonstrate the potential of deep learning to address the von Neumann bottleneck of memory performance. We focus on the critical problem of learning memory access patterns, with the goal of constructing accurate and efficient memory prefetchers. We relate contemporary prefetching strategies to n-gram models in natural language processing, and show how recurrent neural networks can serve as a drop-in replacement. On a suite of challenging benchmark datasets, we find that neural networks consistently demonstrate superior performance in terms of precision and recall. This work represents the first step towards practical neural-network based prefetching, and opens a wide range of exciting directions for machine learning in computer architecture research.

Mengye Ren, Eleni Triantafillou, Sachin Ravi et al.

In few-shot classification, we are interested in learning algorithms that train a classifier from only a handful of labeled examples. Recent progress in few-shot classification has featured meta-learning, in which a parameterized model for a learning algorithm is defined and trained on episodes representing different classification problems, each with a small labeled training set and its corresponding test set. In this work, we advance this few-shot classification paradigm towards a scenario where unlabeled examples are also available within each episode. We consider two situations: one where all unlabeled examples are assumed to belong to the same set of classes as the labeled examples of the episode, as well as the more challenging situation where examples from other distractor classes are also provided. To address this paradigm, we propose novel extensions of Prototypical Networks (Snell et al., 2017) that are augmented with the ability to use unlabeled examples when producing prototypes. These models are trained in an end-to-end way on episodes, to learn to leverage the unlabeled examples successfully. We evaluate these methods on versions of the Omniglot and miniImageNet benchmarks, adapted to this new framework augmented with unlabeled examples. We also propose a new split of ImageNet, consisting of a large set of classes, with a hierarchical structure. Our experiments confirm that our Prototypical Networks can learn to improve their predictions due to unlabeled examples, much like a semi-supervised algorithm would.

Chung-Cheng Chiu, Dieterich Lawson, Yuping Luo et al.

Generative models have long been the dominant approach for speech recognition. The success of these models however relies on the use of sophisticated recipes and complicated machinery that is not easily accessible to non-practitioners. Recent innovations in Deep Learning have given rise to an alternative - discriminative models called Sequence-to-Sequence models, that can almost match the accuracy of state of the art generative models. While these models are easy to train as they can be trained end-to-end in a single step, they have a practical limitation that they can only be used for offline recognition. This is because the models require that the entirety of the input sequence be available at the beginning of inference, an assumption that is not valid for instantaneous speech recognition. To address this problem, online sequence-to-sequence models were recently introduced. These models are able to start producing outputs as data arrives, and the model feels confident enough to output partial transcripts. These models, like sequence-to-sequence are causal - the output produced by the model until any time, $t$, affects the features that are computed subsequently. This makes the model inherently more powerful than generative models that are unable to change features that are computed from the data. This paper highlights two main contributions - an improvement to online sequence-to-sequence model training, and its application to noisy settings with mixed speech from two speakers.

Dieterich Lawson, Chung-Cheng Chiu, George Tucker et al.

There has recently been significant interest in hard attention models for tasks such as object recognition, visual captioning and speech recognition. Hard attention can offer benefits over soft attention such as decreased computational cost, but training hard attention models can be difficult because of the discrete latent variables they introduce. Previous work used REINFORCE and Q-learning to approach these issues, but those methods can provide high-variance gradient estimates and be slow to train. In this paper, we tackle the problem of learning hard attention for a sequential task using variational inference methods, specifically the recently introduced VIMCO and NVIL. Furthermore, we propose a novel baseline that adapts VIMCO to this setting. We demonstrate our method on a phoneme recognition task in clean and noisy environments and show that our method outperforms REINFORCE, with the difference being greater for a more complicated task.

Jake Snell, Kevin Swersky, Richard S. Zemel

We propose prototypical networks for the problem of few-shot classification, where a classifier must generalize to new classes not seen in the training set, given only a small number of examples of each new class. Prototypical networks learn a metric space in which classification can be performed by computing distances to prototype representations of each class. Compared to recent approaches for few-shot learning, they reflect a simpler inductive bias that is beneficial in this limited-data regime, and achieve excellent results. We provide an analysis showing that some simple design decisions can yield substantial improvements over recent approaches involving complicated architectural choices and meta-learning. We further extend prototypical networks to zero-shot learning and achieve state-of-the-art results on the CU-Birds dataset.

Christos Louizos, Kevin Swersky, Yujia Li et al.

We investigate the problem of learning representations that are invariant to certain nuisance or sensitive factors of variation in the data while retaining as much of the remaining information as possible. Our model is based on a variational autoencoding architecture with priors that encourage independence between sensitive and latent factors of variation. Any subsequent processing, such as classification, can then be performed on this purged latent representation. To remove any remaining dependencies we incorporate an additional penalty term based on the "Maximum Mean Discrepancy" (MMD) measure. We discuss how these architectures can be efficiently trained on data and show in experiments that this method is more effective than previous work in removing unwanted sources of variation while maintaining informative latent representations.

Jimmy Ba, Kevin Swersky, Sanja Fidler et al.

One of the main challenges in Zero-Shot Learning of visual categories is gathering semantic attributes to accompany images. Recent work has shown that learning from textual descriptions, such as Wikipedia articles, avoids the problem of having to explicitly define these attributes. We present a new model that can classify unseen categories from their textual description. Specifically, we use text features to predict the output weights of both the convolutional and the fully connected layers in a deep convolutional neural network (CNN). We take advantage of the architecture of CNNs and learn features at different layers, rather than just learning an embedding space for both modalities, as is common with existing approaches. The proposed model also allows us to automatically generate a list of pseudo- attributes for each visual category consisting of words from Wikipedia articles. We train our models end-to-end us- ing the Caltech-UCSD bird and flower datasets and evaluate both ROC and Precision-Recall curves. Our empirical results show that the proposed model significantly outperforms previous methods.

Jasper Snoek, Oren Rippel, Kevin Swersky et al.

Bayesian optimization is an effective methodology for the global optimization of functions with expensive evaluations. It relies on querying a distribution over functions defined by a relatively cheap surrogate model. An accurate model for this distribution over functions is critical to the effectiveness of the approach, and is typically fit using Gaussian processes (GPs). However, since GPs scale cubically with the number of observations, it has been challenging to handle objectives whose optimization requires many evaluations, and as such, massively parallelizing the optimization. In this work, we explore the use of neural networks as an alternative to GPs to model distributions over functions. We show that performing adaptive basis function regression with a neural network as the parametric form performs competitively with state-of-the-art GP-based approaches, but scales linearly with the number of data rather than cubically. This allows us to achieve a previously intractable degree of parallelism, which we apply to large scale hyperparameter optimization, rapidly finding competitive models on benchmark object recognition tasks using convolutional networks, and image caption generation using neural language models.

Yujia Li, Kevin Swersky, Richard Zemel

We consider the problem of learning deep generative models from data. We formulate a method that generates an independent sample via a single feedforward pass through a multilayer perceptron, as in the recently proposed generative adversarial networks (Goodfellow et al., 2014). Training a generative adversarial network, however, requires careful optimization of a difficult minimax program. Instead, we utilize a technique from statistical hypothesis testing known as maximum mean discrepancy (MMD), which leads to a simple objective that can be interpreted as matching all orders of statistics between a dataset and samples from the model, and can be trained by backpropagation. We further boost the performance of this approach by combining our generative network with an auto-encoder network, using MMD to learn to generate codes that can then be decoded to produce samples. We show that the combination of these techniques yields excellent generative models compared to baseline approaches as measured on MNIST and the Toronto Face Database.

Yujia Li, Kevin Swersky, Richard Zemel

A key element in transfer learning is representation learning; if representations can be developed that expose the relevant factors underlying the data, then new tasks and domains can be learned readily based on mappings of these salient factors. We propose that an important aim for these representations are to be unbiased. Different forms of representation learning can be derived from alternative definitions of unwanted bias, e.g., bias to particular tasks, domains, or irrelevant underlying data dimensions. One very useful approach to estimating the amount of bias in a representation comes from maximum mean discrepancy (MMD) [5], a measure of distance between probability distributions. We are not the first to suggest that MMD can be a useful criterion in developing representations that apply across multiple domains or tasks [1]. However, in this paper we describe a number of novel applications of this criterion that we have devised, all based on the idea of developing unbiased representations. These formulations include: a standard domain adaptation framework; a method of learning invariant representations; an approach based on noise-insensitive autoencoders; and a novel form of generative model.

Kevin Swersky, David Duvenaud, Jasper Snoek et al.

In practical Bayesian optimization, we must often search over structures with differing numbers of parameters. For instance, we may wish to search over neural network architectures with an unknown number of layers. To relate performance data gathered for different architectures, we define a new kernel for conditional parameter spaces that explicitly includes information about which parameters are relevant in a given structure. We show that this kernel improves model quality and Bayesian optimization results over several simpler baseline kernels.