Search

Quantum error correction is essential for bridging the gap between the error rates of physical devices and the extremely low logical error rates required for quantum algorithms. Recent error-correction demonstrations on superconducting processors have focused primarily on the surface code, which offers a high error threshold but poses limitations for logical operations. In contrast, the color code enables much more efficient logic, although it requires more complex stabilizer measurements and decoding techniques. Measuring these stabilizers in planar architectures such as superconducting qubits is challenging, and so far, realizations of color codes have not addressed performance scaling with code size on any platform. Here, we present a comprehensive demonstration of the color code on a superconducting processor, achieving logical error suppression and performing logical operations. Scaling the code distance from three to five suppresses logical errors by a factor of $\Lambda_{3/5}$ = 1.56(4). Simulations indicate this performance is below the threshold of the color code, and furthermore that the color code may be more efficient than the surface code with modest device improvements. Using logical randomized benchmarking, we find that transversal Clifford gates add an error of only 0.0027(3), which is substantially less than the error of an idling error correction cycle. We inject magic states, a key resource for universal computation, achieving fidelities exceeding 99% with post-selection (retaining about 75% of the data). Finally, we successfully teleport logical states between distance-three color codes using lattice surgery, with teleported state fidelities between 86.5(1)% and 90.7(1)%. This work establishes the color code as a compelling research direction to realize fault-tolerant quantum computation on superconducting processors in the near future.

Wearable sensors have become ubiquitous thanks to a variety of health tracking features. The resulting continuous and longitudinal measurements from everyday life generate large volumes of data; however, making sense of these observations for scientific and actionable insights is non-trivial. Inspired by the empirical success of generative modeling, where large neural networks learn powerful representations from vast amounts of text, image, video, or audio data, we investigate the scaling properties of sensor foundation models across compute, data, and model size. Using a dataset of up to 40 million hours of in-situ heart rate, heart rate variability, electrodermal activity, accelerometer, skin temperature, and altimeter per-minute data from over 165,000 people, we create LSM, a multimodal foundation model built on the largest wearable-signals dataset with the most extensive range of sensor modalities to date. Our results establish the scaling laws of LSM for tasks such as imputation, interpolation and extrapolation, both across time and sensor modalities. Moreover, we highlight how LSM enables sample-efficient downstream learning for tasks like exercise and activity recognition.

Computational design of protein-binding proteins is a fundamental capability with broad utility in biomedical research and biotechnology. Recent methods have made strides against some target proteins, but on-demand creation of high-affinity binders without multiple rounds of experimental testing remains an unsolved challenge. This technical report introduces AlphaProteo, a family of machine learning models for protein design, and details its performance on the de novo binder design problem. With AlphaProteo, we achieve 3- to 300-fold better binding affinities and higher experimental success rates than the best existing methods on seven target proteins. Our results suggest that AlphaProteo can generate binders "ready-to-use" for many research applications using only one round of medium-throughput screening and no further optimization., Comment: 45 pages, 17 figures

Quantum error correction provides a path to reach practical quantum computing by combining multiple physical qubits into a logical qubit, where the logical error rate is suppressed exponentially as more qubits are added. However, this exponential suppression only occurs if the physical error rate is below a critical threshold. In this work, we present two surface code memories operating below this threshold: a distance-7 code and a distance-5 code integrated with a real-time decoder. The logical error rate of our larger quantum memory is suppressed by a factor of $\Lambda$ = 2.14 $\pm$ 0.02 when increasing the code distance by two, culminating in a 101-qubit distance-7 code with 0.143% $\pm$ 0.003% error per cycle of error correction. This logical memory is also beyond break-even, exceeding its best physical qubit's lifetime by a factor of 2.4 $\pm$ 0.3. We maintain below-threshold performance when decoding in real time, achieving an average decoder latency of 63 $\mu$s at distance-5 up to a million cycles, with a cycle time of 1.1 $\mu$s. To probe the limits of our error-correction performance, we run repetition codes up to distance-29 and find that logical performance is limited by rare correlated error events occurring approximately once every hour, or 3 $\times$ 10$^9$ cycles. Our results present device performance that, if scaled, could realize the operational requirements of large scale fault-tolerant quantum algorithms., Comment: 10 pages, 4 figures, Supplementary Information

Advanced AI assistants combine frontier LLMs and tool access to autonomously perform complex tasks on behalf of users. While the helpfulness of such assistants can increase dramatically with access to user information including emails and documents, this raises privacy concerns about assistants sharing inappropriate information with third parties without user supervision. To steer information-sharing assistants to behave in accordance with privacy expectations, we propose to operationalize contextual integrity (CI), a framework that equates privacy with the appropriate flow of information in a given context. In particular, we design and evaluate a number of strategies to steer assistants' information-sharing actions to be CI compliant. Our evaluation is based on a novel form filling benchmark composed of human annotations of common webform applications, and it reveals that prompting frontier LLMs to perform CI-based reasoning yields strong results.

We present TORAX, a new, open-source, differentiable tokamak core transport simulator implemented in Python using the JAX framework. TORAX solves the coupled equations for ion heat transport, electron heat transport, particle transport, and current diffusion, incorporating modular physics-based and ML models. JAX's just-in-time compilation ensures fast runtimes, while its automatic differentiation capability enables gradient-based optimization workflows and simplifies the use of Jacobian-based PDE solvers. Coupling to ML-surrogates of physics models is greatly facilitated by JAX's intrinsic support for neural network development and inference. TORAX is verified against the established RAPTOR code, demonstrating agreement in simulated plasma profiles. TORAX provides a powerful and versatile tool for accelerating research in tokamak scenario modeling, pulse design, and control., Comment: 16 pages, 7 figures

A key challenge in realizing fault-tolerant quantum computers is circuit optimization. Focusing on the most expensive gates in fault-tolerant quantum computation (namely, the T gates), we address the problem of T-count optimization, i.e., minimizing the number of T gates that are needed to implement a given circuit. To achieve this, we develop AlphaTensor-Quantum, a method based on deep reinforcement learning that exploits the relationship between optimizing T-count and tensor decomposition. Unlike existing methods for T-count optimization, AlphaTensor-Quantum can incorporate domain-specific knowledge about quantum computation and leverage gadgets, which significantly reduces the T-count of the optimized circuits. AlphaTensor-Quantum outperforms the existing methods for T-count optimization on a set of arithmetic benchmarks (even when compared without making use of gadgets). Remarkably, it discovers an efficient algorithm akin to Karatsuba's method for multiplication in finite fields. AlphaTensor-Quantum also finds the best human-designed solutions for relevant arithmetic computations used in Shor's algorithm and for quantum chemistry simulation, thus demonstrating it can save hundreds of hours of research by optimizing relevant quantum circuits in a fully automated way., Comment: 25 pages main paper + 19 pages appendix

Radiology reports are an instrumental part of modern medicine, informing key clinical decisions such as diagnosis and treatment. The worldwide shortage of radiologists, however, restricts access to expert care and imposes heavy workloads, contributing to avoidable errors and delays in report delivery. While recent progress in automated report generation with vision-language models offer clear potential in ameliorating the situation, the path to real-world adoption has been stymied by the challenge of evaluating the clinical quality of AI-generated reports. In this study, we build a state-of-the-art report generation system for chest radiographs, $\textit{Flamingo-CXR}$, by fine-tuning a well-known vision-language foundation model on radiology data. To evaluate the quality of the AI-generated reports, a group of 16 certified radiologists provide detailed evaluations of AI-generated and human written reports for chest X-rays from an intensive care setting in the United States and an inpatient setting in India. At least one radiologist (out of two per case) preferred the AI report to the ground truth report in over 60$\%$ of cases for both datasets. Amongst the subset of AI-generated reports that contain errors, the most frequently cited reasons were related to the location and finding, whereas for human written reports, most mistakes were related to severity and finding. This disparity suggested potential complementarity between our AI system and human experts, prompting us to develop an assistive scenario in which Flamingo-CXR generates a first-draft report, which is subsequently revised by a clinician. This is the first demonstration of clinician-AI collaboration for report writing, and the resultant reports are assessed to be equivalent or preferred by at least one radiologist to reports written by experts alone in 80$\%$ of in-patient cases and 60$\%$ of intensive care cases.

Privacy-preserving machine learning aims to train models on private data without leaking sensitive information. Differential privacy (DP) is considered the gold standard framework for privacy-preserving training, as it provides formal privacy guarantees. However, compared to their non-private counterparts, models trained with DP often have significantly reduced accuracy. Private classifiers are also believed to exhibit larger performance disparities across subpopulations, raising fairness concerns. The poor performance of classifiers trained with DP has prevented the widespread adoption of privacy preserving machine learning in industry. Here we show that pre-trained foundation models fine-tuned with DP can achieve similar accuracy to non-private classifiers, even in the presence of significant distribution shifts between pre-training data and downstream tasks. We achieve private accuracies within a few percent of the non-private state of the art across four datasets, including two medical imaging benchmarks. Furthermore, our private medical classifiers do not exhibit larger performance disparities across demographic groups than non-private models. This milestone to make DP training a practical and reliable technology has the potential to widely enable machine learning practitioners to train safely on sensitive datasets while protecting individuals' privacy.

For safety, AI systems in health undergo thorough evaluations before deployment, validating their predictions against a ground truth that is assumed certain. However, this is actually not the case and the ground truth may be uncertain. Unfortunately, this is largely ignored in standard evaluation of AI models but can have severe consequences such as overestimating the future performance. To avoid this, we measure the effects of ground truth uncertainty, which we assume decomposes into two main components: annotation uncertainty which stems from the lack of reliable annotations, and inherent uncertainty due to limited observational information. This ground truth uncertainty is ignored when estimating the ground truth by deterministically aggregating annotations, e.g., by majority voting or averaging. In contrast, we propose a framework where aggregation is done using a statistical model. Specifically, we frame aggregation of annotations as posterior inference of so-called plausibilities, representing distributions over classes in a classification setting, subject to a hyper-parameter encoding annotator reliability. Based on this model, we propose a metric for measuring annotation uncertainty and provide uncertainty-adjusted metrics for performance evaluation. We present a case study applying our framework to skin condition classification from images where annotations are provided in the form of differential diagnoses. The deterministic adjudication process called inverse rank normalization (IRN) from previous work ignores ground truth uncertainty in evaluation. Instead, we present two alternative statistical models: a probabilistic version of IRN and a Plackett-Luce-based model. We find that a large portion of the dataset exhibits significant ground truth uncertainty and standard IRN-based evaluation severely over-estimates performance without providing uncertainty estimates.

A ubiquitous challenge in machine learning is the problem of domain generalisation. This can exacerbate bias against groups or labels that are underrepresented in the datasets used for model development. Model bias can lead to unintended harms, especially in safety-critical applications like healthcare. Furthermore, the challenge is compounded by the difficulty of obtaining labelled data due to high cost or lack of readily available domain expertise. In our work, we show that learning realistic augmentations automatically from data is possible in a label-efficient manner using generative models. In particular, we leverage the higher abundance of unlabelled data to capture the underlying data distribution of different conditions and subgroups for an imaging modality. By conditioning generative models on appropriate labels, we can steer the distribution of synthetic examples according to specific requirements. We demonstrate that these learned augmentations can surpass heuristic ones by making models more robust and statistically fair in- and out-of-distribution. To evaluate the generality of our approach, we study 3 distinct medical imaging contexts of varying difficulty: (i) histopathology images from a publicly available generalisation benchmark, (ii) chest X-rays from publicly available clinical datasets, and (iii) dermatology images characterised by complex shifts and imaging conditions. Complementing real training samples with synthetic ones improves the robustness of models in all three medical tasks and increases fairness by improving the accuracy of diagnosis within underrepresented groups. This approach leads to stark improvements OOD across modalities: 7.7% prediction accuracy improvement in histopathology, 5.2% in chest radiology with 44.6% lower fairness gap and a striking 63.5% improvement in high-risk sensitivity for dermatology with a 7.5x reduction in fairness gap.

Programming is a powerful and ubiquitous problem-solving tool. Developing systems that can assist programmers or even generate programs independently could make programming more productive and accessible, yet so far incorporating innovations in AI has proven challenging. Recent large-scale language models have demonstrated an impressive ability to generate code, and are now able to complete simple programming tasks. However, these models still perform poorly when evaluated on more complex, unseen problems that require problem-solving skills beyond simply translating instructions into code. For example, competitive programming problems which require an understanding of algorithms and complex natural language remain extremely challenging. To address this gap, we introduce AlphaCode, a system for code generation that can create novel solutions to these problems that require deeper reasoning. In simulated evaluations on recent programming competitions on the Codeforces platform, AlphaCode achieved on average a ranking of top 54.3% in competitions with more than 5,000 participants. We found that three key components were critical to achieve good and reliable performance: (1) an extensive and clean competitive programming dataset for training and evaluation, (2) large and efficient-to-sample transformer-based architectures, and (3) large-scale model sampling to explore the search space, followed by filtering based on program behavior to a small set of submissions., Comment: 74 pages

Large language models (LM) generate remarkably fluent text and can be efficiently adapted across NLP tasks. Measuring and guaranteeing the quality of generated text in terms of safety is imperative for deploying LMs in the real world; to this end, prior work often relies on automatic evaluation of LM toxicity. We critically discuss this approach, evaluate several toxicity mitigation strategies with respect to both automatic and human evaluation, and analyze consequences of toxicity mitigation in terms of model bias and LM quality. We demonstrate that while basic intervention strategies can effectively optimize previously established automatic metrics on the RealToxicityPrompts dataset, this comes at the cost of reduced LM coverage for both texts about, and dialects of, marginalized groups. Additionally, we find that human raters often disagree with high automatic toxicity scores after strong toxicity reduction interventions -- highlighting further the nuances involved in careful evaluation of LM toxicity., Comment: 23 pages, 6 figures, published in Findings of EMNLP 2021

Cryo-electron microscopy (cryo-EM) has revolutionized experimental protein structure determination. Despite advances in high resolution reconstruction, a majority of cryo-EM experiments provide either a single state of the studied macromolecule, or a relatively small number of its conformations. This reduces the effectiveness of the technique for proteins with flexible regions, which are known to play a key role in protein function. Recent methods for capturing conformational heterogeneity in cryo-EM data model it in volume space, making recovery of continuous atomic structures challenging. Here we present a fully deep-learning-based approach using variational auto-encoders (VAEs) to recover a continuous distribution of atomic protein structures and poses directly from picked particle images and demonstrate its efficacy on realistic simulated data. We hope that methods built on this work will allow incorporation of stronger prior information about protein structure and enable better understanding of non-rigid protein structures.

We improve the scalability of Branch and Bound (BaB) algorithms for formally proving input-output properties of neural networks. First, we propose novel bounding algorithms based on Lagrangian Decomposition. Previous works have used off-the-shelf solvers to solve relaxations at each node of the BaB tree, or constructed weaker relaxations that can be solved efficiently, but lead to unnecessarily weak bounds. Our formulation restricts the optimization to a subspace of the dual domain that is guaranteed to contain the optimum, resulting in accelerated convergence. Furthermore, it allows for a massively parallel implementation, which is amenable to GPU acceleration via modern deep learning frameworks. Second, we present a novel activation-based branching strategy. By coupling an inexpensive heuristic with fast dual bounding, our branching scheme greatly reduces the size of the BaB tree compared to previous heuristic methods. Moreover, it performs competitively with a recent strategy based on learning algorithms, without its large offline training cost. Finally, we design a BaB framework, named Branch and Dual Network Bound (BaDNB), based on our novel bounding and branching algorithms. We show that BaDNB outperforms previous complete verification systems by a large margin, cutting average verification times by factors up to 50 on adversarial robustness properties., Comment: Submitted for review to JMLR. This is an extended version of our paper in the UAI-20 conference (arXiv:2002.10410)

Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Materials Science is that experimental datasets of material properties tend to be small. In this work we show how material descriptors can be learned from the structures present in large scale datasets of material simulations; and how these descriptors can be used to improve the prediction of an experimental property, the energy of formation of a solid. The material descriptors are learned by training a Graph Neural Network to regress simulated formation energies from a material's atomistic structure. Using these learned features for experimental property predictions outperforms existing methods that are based solely on chemical composition. Moreover, we find that the advantage of our approach increases as the generalization requirements of the task are made more stringent, for example when limiting the amount of training data or when generalizing to unseen chemical spaces., Comment: 22 pages, preprint

Mixed Integer Programming (MIP) solvers rely on an array of sophisticated heuristics developed with decades of research to solve large-scale MIP instances encountered in practice. Machine learning offers to automatically construct better heuristics from data by exploiting shared structure among instances in the data. This paper applies learning to the two key sub-tasks of a MIP solver, generating a high-quality joint variable assignment, and bounding the gap in objective value between that assignment and an optimal one. Our approach constructs two corresponding neural network-based components, Neural Diving and Neural Branching, to use in a base MIP solver such as SCIP. Neural Diving learns a deep neural network to generate multiple partial assignments for its integer variables, and the resulting smaller MIPs for un-assigned variables are solved with SCIP to construct high quality joint assignments. Neural Branching learns a deep neural network to make variable selection decisions in branch-and-bound to bound the objective value gap with a small tree. This is done by imitating a new variant of Full Strong Branching we propose that scales to large instances using GPUs. We evaluate our approach on six diverse real-world datasets, including two Google production datasets and MIPLIB, by training separate neural networks on each. Most instances in all the datasets combined have $10^3-10^6$ variables and constraints after presolve, which is significantly larger than previous learning approaches. Comparing solvers with respect to primal-dual gap averaged over a held-out set of instances, the learning-augmented SCIP is 2x to 10x better on all datasets except one on which it is $10^5$x better, at large time limits. To the best of our knowledge, ours is the first learning approach to demonstrate such large improvements over SCIP on both large-scale real-world application datasets and MIPLIB.

Does a Variational AutoEncoder (VAE) consistently encode typical samples generated from its decoder? This paper shows that the perhaps surprising answer to this question is `No'; a (nominally trained) VAE does not necessarily amortize inference for typical samples that it is capable of generating. We study the implications of this behaviour on the learned representations and also the consequences of fixing it by introducing a notion of self consistency. Our approach hinges on an alternative construction of the variational approximation distribution to the true posterior of an extended VAE model with a Markov chain alternating between the encoder and the decoder. The method can be used to train a VAE model from scratch or given an already trained VAE, it can be run as a post processing step in an entirely self supervised way without access to the original training data. Our experimental analysis reveals that encoders trained with our self-consistency approach lead to representations that are robust (insensitive) to perturbations in the input introduced by adversarial attacks. We provide experimental results on the ColorMnist and CelebA benchmark datasets that quantify the properties of the learned representations and compare the approach with a baseline that is specifically trained for the desired property., Comment: Neurips 2020

Advancements in deep generative models have made it possible to synthesize images, videos and audio signals that are difficult to distinguish from natural signals, creating opportunities for potential abuse of these capabilities. This motivates the problem of tracking the provenance of signals, i.e., being able to determine the original source of a signal. Watermarking the signal at the time of signal creation is a potential solution, but current techniques are brittle and watermark detection mechanisms can easily be bypassed by applying post-processing transformations (cropping images, shifting pitch in the audio etc.). In this paper, we introduce ReSWAT (Resilient Signal Watermarking via Adversarial Training), a framework for learning transformation-resilient watermark detectors that are able to detect a watermark even after a signal has been through several post-processing transformations. Our detection method can be applied to domains with continuous data representations such as images, videos or sound signals. Experiments on watermarking image and audio signals show that our method can reliably detect the provenance of a signal, even if it has been through several post-processing transformations, and improve upon related work in this setting. Furthermore, we show that for specific kinds of transformations (perturbations bounded in the L2 norm), we can even get formal guarantees on the ability of our model to detect the watermark. We provide qualitative examples of watermarked image and audio samples in https://drive.google.com/open?id=1-yZ0WIGNu2Iez7UpXBjtjVgZu3jJjFga.

The instability of Generative Adversarial Network (GAN) training has frequently been attributed to gradient descent. Consequently, recent methods have aimed to tailor the models and training procedures to stabilise the discrete updates. In contrast, we study the continuous-time dynamics induced by GAN training. Both theory and toy experiments suggest that these dynamics are in fact surprisingly stable. From this perspective, we hypothesise that instabilities in training GANs arise from the integration error in discretising the continuous dynamics. We experimentally verify that well-known ODE solvers (such as Runge-Kutta) can stabilise training - when combined with a regulariser that controls the integration error. Our approach represents a radical departure from previous methods which typically use adaptive optimisation and stabilisation techniques that constrain the functional space (e.g. Spectral Normalisation). Evaluation on CIFAR-10 and ImageNet shows that our method outperforms several strong baselines, demonstrating its efficacy.

Convex relaxations have emerged as a promising approach for verifying desirable properties of neural networks like robustness to adversarial perturbations. Widely used Linear Programming (LP) relaxations only work well when networks are trained to facilitate verification. This precludes applications that involve verification-agnostic networks, i.e., networks not specially trained for verification. On the other hand, semidefinite programming (SDP) relaxations have successfully be applied to verification-agnostic networks, but do not currently scale beyond small networks due to poor time and space asymptotics. In this work, we propose a first-order dual SDP algorithm that (1) requires memory only linear in the total number of network activations, (2) only requires a fixed number of forward/backward passes through the network per iteration. By exploiting iterative eigenvector methods, we express all solver operations in terms of forward and backward passes through the network, enabling efficient use of hardware like GPUs/TPUs. For two verification-agnostic networks on MNIST and CIFAR-10, we significantly improve L-inf verified robust accuracy from 1% to 88% and 6% to 40% respectively. We also demonstrate tight verification of a quadratic stability specification for the decoder of a variational autoencoder.

Adversarial training and its variants have become de facto standards for learning robust deep neural networks. In this paper, we explore the landscape around adversarial training in a bid to uncover its limits. We systematically study the effect of different training losses, model sizes, activation functions, the addition of unlabeled data (through pseudo-labeling) and other factors on adversarial robustness. We discover that it is possible to train robust models that go well beyond state-of-the-art results by combining larger models, Swish/SiLU activations and model weight averaging. We demonstrate large improvements on CIFAR-10 and CIFAR-100 against $\ell_\infty$ and $\ell_2$ norm-bounded perturbations of size $8/255$ and $128/255$, respectively. In the setting with additional unlabeled data, we obtain an accuracy under attack of 65.88% against $\ell_\infty$ perturbations of size $8/255$ on CIFAR-10 (+6.35% with respect to prior art). Without additional data, we obtain an accuracy under attack of 57.20% (+3.46%). To test the generality of our findings and without any additional modifications, we obtain an accuracy under attack of 80.53% (+7.62%) against $\ell_2$ perturbations of size $128/255$ on CIFAR-10, and of 36.88% (+8.46%) against $\ell_\infty$ perturbations of size $8/255$ on CIFAR-100. All models are available at https://github.com/deepmind/deepmind-research/tree/master/adversarial_robustness., Comment: Fixed minor formatting issues and added link to models

Reliable detection of out-of-distribution (OOD) inputs is increasingly understood to be a precondition for deployment of machine learning systems. This paper proposes and investigates the use of contrastive training to boost OOD detection performance. Unlike leading methods for OOD detection, our approach does not require access to examples labeled explicitly as OOD, which can be difficult to collect in practice. We show in extensive experiments that contrastive training significantly helps OOD detection performance on a number of common benchmarks. By introducing and employing the Confusion Log Probability (CLP) score, which quantifies the difficulty of the OOD detection task by capturing the similarity of inlier and outlier datasets, we show that our method especially improves performance in the `near OOD' classes -- a particularly challenging setting for previous methods.

The Apperception Engine is an unsupervised learning system. Given a sequence of sensory inputs, it constructs a symbolic causal theory that both explains the sensory sequence and also satisfies a set of unity conditions. The unity conditions insist that the constituents of the theory - objects, properties, and laws - must be integrated into a coherent whole. Once a theory has been constructed, it can be applied to predict future sensor readings, retrodict earlier readings, or impute missing readings. In this paper, we evaluate the Apperception Engine in a diverse variety of domains, including cellular automata, rhythms and simple nursery tunes, multi-modal binding problems, occlusion tasks, and sequence induction intelligence tests. In each domain, we test our engine's ability to predict future sensor values, retrodict earlier sensor values, and impute missing sensory data. The engine performs well in all these domains, significantly outperforming neural net baselines and state of the art inductive logic programming systems. These results are significant because neural nets typically struggle to solve the binding problem (where information from different modalities must somehow be combined together into different aspects of one unified object) and fail to solve occlusion tasks (in which objects are sometimes visible and sometimes obscured from view). We note in particular that in the sequence induction intelligence tests, our system achieved human-level performance. This is notable because our system is not a bespoke system designed specifically to solve intelligence tests, but a general-purpose system that was designed to make sense of any sensory sequence., Comment: arXiv admin note: substantial text overlap with arXiv:1910.02227

We study the problem of learning efficient algorithms that strongly generalize in the framework of neural program induction. By carefully designing the input / output interfaces of the neural model and through imitation, we are able to learn models that produce correct results for arbitrary input sizes, achieving strong generalization. Moreover, by using reinforcement learning, we optimize for program efficiency metrics, and discover new algorithms that surpass the teacher used in imitation. With this, our approach can learn to outperform custom-written solutions for a variety of problems, as we tested it on sorting, searching in ordered lists and the NP-complete 0/1 knapsack problem, which sets a notable milestone in the field of Neural Program Induction. As highlights, our learned model can perform sorting perfectly on any input data size we tested on, with $O(n log n)$ complexity, whilst outperforming hand-coded algorithms, including quick sort, in number of operations even for list sizes far beyond those seen during training.

A fundamental component of neural network verification is the computation of bounds on the values their outputs can take. Previous methods have either used off-the-shelf solvers, discarding the problem structure, or relaxed the problem even further, making the bounds unnecessarily loose. We propose a novel approach based on Lagrangian Decomposition. Our formulation admits an efficient supergradient ascent algorithm, as well as an improved proximal algorithm. Both the algorithms offer three advantages: (i) they yield bounds that are provably at least as tight as previous dual algorithms relying on Lagrangian relaxations; (ii) they are based on operations analogous to forward/backward pass of neural networks layers and are therefore easily parallelizable, amenable to GPU implementation and able to take advantage of the convolutional structure of problems; and (iii) they allow for anytime stopping while still providing valid bounds. Empirically, we show that we obtain bounds comparable with off-the-shelf solvers in a fraction of their running time, and obtain tighter bounds in the same time as previous dual algorithms. This results in an overall speed-up when employing the bounds for formal verification. Code for our algorithms is available at https://github.com/oval-group/decomposition-plnn-bounds., Comment: UAI 2020 conference paper

Recent research has made the surprising finding that state-of-the-art deep learning models sometimes fail to generalize to small variations of the input. Adversarial training has been shown to be an effective approach to overcome this problem. However, its application has been limited to enforcing invariance to analytically defined transformations like $\ell_p$-norm bounded perturbations. Such perturbations do not necessarily cover plausible real-world variations that preserve the semantics of the input (such as a change in lighting conditions). In this paper, we propose a novel approach to express and formalize robustness to these kinds of real-world transformations of the input. The two key ideas underlying our formulation are (1) leveraging disentangled representations of the input to define different factors of variations, and (2) generating new input images by adversarially composing the representations of different images. We use a StyleGAN model to demonstrate the efficacy of this framework. Specifically, we leverage the disentangled latent representations computed by a StyleGAN model to generate perturbations of an image that are similar to real-world variations (like adding make-up, or changing the skin-tone of a person) and train models to be invariant to these perturbations. Extensive experiments show that our method improves generalization and reduces the effect of spurious correlations (reducing the error rate of a "smile" detector by 21% for example)., Comment: Accepted at CVPR 2020

Advances in language modeling architectures and the availability of large text corpora have driven progress in automatic text generation. While this results in models capable of generating coherent texts, it also prompts models to internalize social biases present in the training corpus. This paper aims to quantify and reduce a particular type of bias exhibited by language models: bias in the sentiment of generated text. Given a conditioning context (e.g., a writing prompt) and a language model, we analyze if (and how) the sentiment of the generated text is affected by changes in values of sensitive attributes (e.g., country names, occupations, genders) in the conditioning context using a form of counterfactual evaluation. We quantify sentiment bias by adopting individual and group fairness metrics from the fair machine learning literature, and demonstrate that large-scale models trained on two different corpora (news articles, and Wikipedia) exhibit considerable levels of bias. We then propose embedding and sentiment prediction-derived regularization on the language model's latent representations. The regularizations improve fairness metrics while retaining comparable levels of perplexity and semantic similarity., Comment: Accepted in the Findings of EMNLP, 2020

This paper considers the problem of efficient exploration of unseen environments, a key challenge in AI. We propose a `learning to explore' framework where we learn a policy from a distribution of environments. At test time, presented with an unseen environment from the same distribution, the policy aims to generalize the exploration strategy to visit the maximum number of unique states in a limited number of steps. We particularly focus on environments with graph-structured state-spaces that are encountered in many important real-world applications like software testing and map building. We formulate this task as a reinforcement learning problem where the `exploration' agent is rewarded for transitioning to previously unseen environment states and employ a graph-structured memory to encode the agent's past trajectory. Experimental results demonstrate that our approach is extremely effective for exploration of spatial maps; and when applied on the challenging problems of coverage-guided software-testing of domain-specific programs and real-world mobile applications, it outperforms methods that have been hand-engineered by human experts., Comment: To appear in NeurIPS 2019

Adversarial testing methods based on Projected Gradient Descent (PGD) are widely used for searching norm-bounded perturbations that cause the inputs of neural networks to be misclassified. This paper takes a deeper look at these methods and explains the effect of different hyperparameters (i.e., optimizer, step size and surrogate loss). We introduce the concept of MultiTargeted testing, which makes clever use of alternative surrogate losses, and explain when and how MultiTargeted is guaranteed to find optimal perturbations. Finally, we demonstrate that MultiTargeted outperforms more sophisticated methods and often requires less iterative steps than other variants of PGD found in the literature. Notably, MultiTargeted ranks first on MadryLab's white-box MNIST and CIFAR-10 leaderboards, reducing the accuracy of their MNIST model to 88.36% (with $\ell_\infty$ perturbations of $\epsilon = 0.3$) and the accuracy of their CIFAR-10 model to 44.03% (at $\epsilon = 8/255$). MultiTargeted also ranks first on the TRADES leaderboard reducing the accuracy of their CIFAR-10 model to 53.07% (with $\ell_\infty$ perturbations of $\epsilon = 0.031$).

This paper attempts to answer a central question in unsupervised learning: what does it mean to "make sense" of a sensory sequence? In our formalization, making sense involves constructing a symbolic causal theory that both explains the sensory sequence and also satisfies a set of unity conditions. The unity conditions insist that the constituents of the causal theory -- objects, properties, and laws -- must be integrated into a coherent whole. On our account, making sense of sensory input is a type of program synthesis, but it is unsupervised program synthesis. Our second contribution is a computer implementation, the Apperception Engine, that was designed to satisfy the above requirements. Our system is able to produce interpretable human-readable causal theories from very small amounts of data, because of the strong inductive bias provided by the unity conditions. A causal theory produced by our system is able to predict future sensor readings, as well as retrodict earlier readings, and impute (fill in the blanks of) missing sensory readings, in any combination. We tested the engine in a diverse variety of domains, including cellular automata, rhythms and simple nursery tunes, multi-modal binding problems, occlusion tasks, and sequence induction intelligence tests. In each domain, we test our engine's ability to predict future sensor values, retrodict earlier sensor values, and impute missing sensory data. The engine performs well in all these domains, significantly out-performing neural net baselines. We note in particular that in the sequence induction intelligence tests, our system achieved human-level performance. This is notable because our system is not a bespoke system designed specifically to solve intelligence tests, but a general-purpose system that was designed to make sense of any sensory sequence.

The ability to reason about temporal and causal events from videos lies at the core of human intelligence. Most video reasoning benchmarks, however, focus on pattern recognition from complex visual and language input, instead of on causal structure. We study the complementary problem, exploring the temporal and causal structures behind videos of objects with simple visual appearance. To this end, we introduce the CoLlision Events for Video REpresentation and Reasoning (CLEVRER), a diagnostic video dataset for systematic evaluation of computational models on a wide range of reasoning tasks. Motivated by the theory of human casual judgment, CLEVRER includes four types of questions: descriptive (e.g., "what color"), explanatory ("what is responsible for"), predictive ("what will happen next"), and counterfactual ("what if"). We evaluate various state-of-the-art models for visual reasoning on our benchmark. While these models thrive on the perception-based task (descriptive), they perform poorly on the causal tasks (explanatory, predictive and counterfactual), suggesting that a principled approach for causal reasoning should incorporate the capability of both perceiving complex visual and language inputs, and understanding the underlying dynamics and causal relations. We also study an oracle model that explicitly combines these components via symbolic representations., Comment: The first two authors contributed equally to this work. Accepted as Oral Spotlight as ICLR 2020. Project page: http://clevrer.csail.mit.edu/

The success of Deep Learning and its potential use in many safety-critical applications has motivated research on formal verification of Neural Network (NN) models. In this context, verification involves proving or disproving that an NN model satisfies certain input-output properties. Despite the reputation of learned NN models as black boxes, and the theoretical hardness of proving useful properties about them, researchers have been successful in verifying some classes of models by exploiting their piecewise linear structure and taking insights from formal methods such as Satisifiability Modulo Theory. However, these methods are still far from scaling to realistic neural networks. To facilitate progress on this crucial area, we exploit the Mixed Integer Linear Programming (MIP) formulation of verification to propose a family of algorithms based on Branch-and-Bound (BaB). We show that our family contains previous verification methods as special cases. With the help of the BaB framework, we make three key contributions. Firstly, we identify new methods that combine the strengths of multiple existing approaches, accomplishing significant performance improvements over previous state of the art. Secondly, we introduce an effective branching strategy on ReLU non-linearities. This branching strategy allows us to efficiently and successfully deal with high input dimensional problems with convolutional network architecture, on which previous methods fail frequently. Finally, we propose comprehensive test data sets and benchmarks which includes a collection of previously released testcases. We use the data sets to conduct a thorough experimental comparison of existing and new algorithms and to provide an inclusive analysis of the factors impacting the hardness of verification problems.

Neural networks are part of many contemporary NLP systems, yet their empirical successes come at the price of vulnerability to adversarial attacks. Previous work has used adversarial training and data augmentation to partially mitigate such brittleness, but these are unlikely to find worst-case adversaries due to the complexity of the search space arising from discrete text perturbations. In this work, we approach the problem from the opposite direction: to formally verify a system's robustness against a predefined class of adversarial attacks. We study text classification under synonym replacements or character flip perturbations. We propose modeling these input perturbations as a simplex and then using Interval Bound Propagation -- a formal model verification method. We modify the conventional log-likelihood training objective to train models that can be efficiently verified, which would otherwise come with exponential search complexity. The resulting models show only little difference in terms of nominal accuracy, but have much improved verified accuracy under perturbations and come with an efficiently computable formal guarantee on worst case adversaries., Comment: EMNLP 2019

Adversarial training is an effective methodology for training deep neural networks that are robust against adversarial, norm-bounded perturbations. However, the computational cost of adversarial training grows prohibitively as the size of the model and number of input dimensions increase. Further, training against less expensive and therefore weaker adversaries produces models that are robust against weak attacks but break down under attacks that are stronger. This is often attributed to the phenomenon of gradient obfuscation; such models have a highly non-linear loss surface in the vicinity of training examples, making it hard for gradient-based attacks to succeed even though adversarial examples still exist. In this work, we introduce a novel regularizer that encourages the loss to behave linearly in the vicinity of the training data, thereby penalizing gradient obfuscation while encouraging robustness. We show via extensive experiments on CIFAR-10 and ImageNet, that models trained with our regularizer avoid gradient obfuscation and can be trained significantly faster than adversarial training. Using this regularizer, we exceed current state of the art and achieve 47% adversarial accuracy for ImageNet with l-infinity adversarial perturbations of radius 4/255 under an untargeted, strong, white-box attack. Additionally, we match state of the art results for CIFAR-10 at 8/255.

Recent work has uncovered the interesting (and somewhat surprising) finding that training models to be invariant to adversarial perturbations requires substantially larger datasets than those required for standard classification. This result is a key hurdle in the deployment of robust machine learning models in many real world applications where labeled data is expensive. Our main insight is that unlabeled data can be a competitive alternative to labeled data for training adversarially robust models. Theoretically, we show that in a simple statistical setting, the sample complexity for learning an adversarially robust model from unlabeled data matches the fully supervised case up to constant factors. On standard datasets like CIFAR-10, a simple Unsupervised Adversarial Training (UAT) approach using unlabeled data improves robust accuracy by 21.7% over using 4K supervised examples alone, and captures over 95% of the improvement from the same number of labeled examples. Finally, we report an improvement of 4% over the previous state-of-the-art on CIFAR-10 against the strongest known attack by using additional unlabeled data from the uncurated 80 Million Tiny Images dataset. This demonstrates that our finding extends as well to the more realistic case where unlabeled data is also uncurated, therefore opening a new avenue for improving adversarial training., Comment: Appears in the Thirty-Third Annual Conference on Neural Information Processing Systems (NeurIPS 2019)

Medical imaging only indirectly measures the molecular identity of the tissue within each voxel, which often produces only ambiguous image evidence for target measures of interest, like semantic segmentation. This diversity and the variations of plausible interpretations are often specific to given image regions and may thus manifest on various scales, spanning all the way from the pixel to the image level. In order to learn a flexible distribution that can account for multiple scales of variations, we propose the Hierarchical Probabilistic U-Net, a segmentation network with a conditional variational auto-encoder (cVAE) that uses a hierarchical latent space decomposition. We show that this model formulation enables sampling and reconstruction of segmenations with high fidelity, i.e. with finely resolved detail, while providing the flexibility to learn complex structured distributions across scales. We demonstrate these abilities on the task of segmenting ambiguous medical scans as well as on instance segmentation of neurobiological and natural images. Our model automatically separates independent factors across scales, an inductive bias that we deem beneficial in structured output prediction tasks beyond segmentation., Comment: 25 pages, 15 figures

We present a deep reinforcement learning approach to minimizing the execution cost of neural network computation graphs in an optimizing compiler. Unlike earlier learning-based works that require training the optimizer on the same graph to be optimized, we propose a learning approach that trains an optimizer offline and then generalizes to previously unseen graphs without further training. This allows our approach to produce high-quality execution decisions on real-world TensorFlow graphs in seconds instead of hours. We consider two optimization tasks for computation graphs: minimizing running time and peak memory usage. In comparison to an extensive set of baselines, our approach achieves significant improvements over classical and other learning-based methods on these two tasks., Comment: Accepted to ICLR 2020 https://openreview.net/forum?id=rkxDoJBYPB

This paper addresses the challenging problem of retrieval and matching of graph structured objects, and makes two key contributions. First, we demonstrate how Graph Neural Networks (GNN), which have emerged as an effective model for various supervised prediction problems defined on structured data, can be trained to produce embedding of graphs in vector spaces that enables efficient similarity reasoning. Second, we propose a novel Graph Matching Network model that, given a pair of graphs as input, computes a similarity score between them by jointly reasoning on the pair through a new cross-graph attention-based matching mechanism. We demonstrate the effectiveness of our models on different domains including the challenging problem of control-flow-graph based function similarity search that plays an important role in the detection of vulnerabilities in software systems. The experimental analysis demonstrates that our models are not only able to exploit structure in the context of similarity learning but they can also outperform domain-specific baseline systems that have been carefully hand-engineered for these problems., Comment: Accepted as a conference paper at ICML 2019

We propose the Neuro-Symbolic Concept Learner (NS-CL), a model that learns visual concepts, words, and semantic parsing of sentences without explicit supervision on any of them; instead, our model learns by simply looking at images and reading paired questions and answers. Our model builds an object-based scene representation and translates sentences into executable, symbolic programs. To bridge the learning of two modules, we use a neuro-symbolic reasoning module that executes these programs on the latent scene representation. Analogical to human concept learning, the perception module learns visual concepts based on the language description of the object being referred to. Meanwhile, the learned visual concepts facilitate learning new words and parsing new sentences. We use curriculum learning to guide the searching over the large compositional space of images and language. Extensive experiments demonstrate the accuracy and efficiency of our model on learning visual concepts, word representations, and semantic parsing of sentences. Further, our method allows easy generalization to new object attributes, compositions, language concepts, scenes and questions, and even new program domains. It also empowers applications including visual question answering and bidirectional image-text retrieval., Comment: ICLR 2019 (Oral). Project page: http://nscl.csail.mit.edu/

Models such as Sequence-to-Sequence and Image-to-Sequence are widely used in real world applications. While the ability of these neural architectures to produce variable-length outputs makes them extremely effective for problems like Machine Translation and Image Captioning, it also leaves them vulnerable to failures of the form where the model produces outputs of undesirable length. This behavior can have severe consequences such as usage of increased computation and induce faults in downstream modules that expect outputs of a certain length. Motivated by the need to have a better understanding of the failures of these models, this paper proposes and studies the novel output-size modulation problem and makes two key technical contributions. First, to evaluate model robustness, we develop an easy-to-compute differentiable proxy objective that can be used with gradient-based algorithms to find output-lengthening inputs. Second and more importantly, we develop a verification approach that can formally verify whether a network always produces outputs within a certain length. Experimental results on Machine Translation and Image Captioning show that our output-lengthening approach can produce outputs that are 50 times longer than the input, while our verification approach can, given a model and input domain, prove that the output length is below a certain size.