Alexander Novikov

Alexander Novikov, Pavel Izmailov, Valentin Khrulkov et al. · openai

Tensor Train decomposition is used across many branches of machine learning. We present T3F -- a library for Tensor Train decomposition based on TensorFlow. T3F supports GPU execution, batch processing, automatic differentiation, and versatile functionality for the Riemannian optimization framework, which takes into account the underlying manifold structure to construct efficient optimization methods. The library makes it easier to implement machine learning papers that rely on the Tensor Train decomposition. T3F includes documentation, examples and 94% test coverage.

Scott Reed, Konrad Zolna, Emilio Parisotto et al.

Inspired by progress in large-scale language modeling, we apply a similar approach towards building a single generalist agent beyond the realm of text outputs. The agent, which we refer to as Gato, works as a multi-modal, multi-task, multi-embodiment generalist policy. The same network with the same weights can play Atari, caption images, chat, stack blocks with a real robot arm and much more, deciding based on its context whether to output text, joint torques, button presses, or other tokens. In this report we describe the model and the data, and document the current capabilities of Gato.

Maxim Rakhuba, Alexander Novikov, Ivan Oseledets

Such problems as computation of spectra of spin chains and vibrational spectra of molecules can be written as high-dimensional eigenvalue problems, i.e., when the eigenvector can be naturally represented as a multidimensional tensor. Tensor methods have proven to be an efficient tool for the approximation of solutions of high-dimensional eigenvalue problems, however, their performance deteriorates quickly when the number of eigenstates to be computed increases. We address this issue by designing a new algorithm motivated by the ideas of Riemannian optimization (optimization on smooth manifolds) for the approximation of multiple eigenstates in the tensor-train format, which is also known as matrix product state representation. The proposed algorithm is implemented in TensorFlow, which allows for both CPU and GPU parallelization.

Alex Bäuerle, Adam Connors, Alexander Novikov et al.

Artificial intelligence offers powerful new tools for scientific discovery, but the interaction paradigms required to effectively harness these systems remain underexplored. In this paper, we present findings from a formative user study with 11 expert mathematicians who used AlphaEvolve, an evolutionary coding agent, to tackle advanced problems in their fields of expertise. We identify and characterize a distinct workflow we term intentmaking, the iterative process of discovering, defining, and refining one's experimental goals through active system interaction. We frame this as a natural extension to sensemaking, the cognitive process of building an understanding of complex or novel data. We suggest that users enter a cycle of intentmaking (defining and updating their experiment) and sensemaking (interpreting the results) which repeats many times during the course of an investigation. Our documentation of these themes suggests an approach to designing AI tools for scientific discovery that goes beyond the existing question/answer model of many current systems, treating them as collaborative instruments rather than opaque black-box assistants.

Raghav Gupta, Akanksha Jain, Abraham Gonzalez et al.

Agile hardware design flows are a critically needed force multiplier to meet the exploding demand for compute. Recently, agentic generative AI systems have demonstrated significant advances in algorithm design, improving code efficiency, and enabling discovery across scientific domains. Bridging these worlds, we present ArchAgent, an automated computer architecture discovery system built on AlphaEvolve. We show ArchAgent's ability to automatically design/implement state-of-the-art (SoTA) cache replacement policies (architecting new mechanisms/logic, not only changing parameters), broadly within the confines of an established cache replacement policy design competition. In two days without human intervention, ArchAgent generated a policy achieving a 5.3% IPC speedup improvement over the prior SoTA on public multi-core Google Workload Traces. On the heavily-explored single-core SPEC06 workloads, it generated a policy in just 18 days showing a 0.9% IPC speedup improvement over the existing SoTA (a similar "winning margin" as reported by the existing SoTA). ArchAgent achieved these gains 3-5x faster than prior human-developed SoTA policies. Agentic flows also enable "post-silicon hyperspecialization" where agents tune runtime-configurable parameters exposed in hardware policies to further align the policies with a specific workload (mix). Exploiting this, we demonstrate a 2.4% IPC speedup improvement over prior SoTA on SPEC06 workloads. Finally, we outline broader implications for computer architecture research in the era of agentic AI. For example, we demonstrate the phenomenon of "simulator escapes", where the agentic AI flow discovered and exploited a loophole in a popular microarchitectural simulator - a consequence of the fact that these research tools were designed for a (now past) world where they were exclusively operated by humans acting in good-faith.

Alexander Novikov, Ngân Vũ, Marvin Eisenberger et al. · deepmind

In this white paper, we present AlphaEvolve, an evolutionary coding agent that substantially enhances capabilities of state-of-the-art LLMs on highly challenging tasks such as tackling open scientific problems or optimizing critical pieces of computational infrastructure. AlphaEvolve orchestrates an autonomous pipeline of LLMs, whose task is to improve an algorithm by making direct changes to the code. Using an evolutionary approach, continuously receiving feedback from one or more evaluators, AlphaEvolve iteratively improves the algorithm, potentially leading to new scientific and practical discoveries. We demonstrate the broad applicability of this approach by applying it to a number of important computational problems. When applied to optimizing critical components of large-scale computational stacks at Google, AlphaEvolve developed a more efficient scheduling algorithm for data centers, found a functionally equivalent simplification in the circuit design of hardware accelerators, and accelerated the training of the LLM underpinning AlphaEvolve itself. Furthermore, AlphaEvolve discovered novel, provably correct algorithms that surpass state-of-the-art solutions on a spectrum of problems in mathematics and computer science, significantly expanding the scope of prior automated discovery methods (Romera-Paredes et al., 2023). Notably, AlphaEvolve developed a search algorithm that found a procedure to multiply two $4 \times 4$ complex-valued matrices using $48$ scalar multiplications; offering the first improvement, after 56 years, over Strassen's algorithm in this setting. We believe AlphaEvolve and coding agents like it can have a significant impact in improving solutions of problems across many areas of science and computation.

Justin Fu, Mohammad Norouzi, Ofir Nachum et al.

Off-policy evaluation (OPE) holds the promise of being able to leverage large, offline datasets for both evaluating and selecting complex policies for decision making. The ability to learn offline is particularly important in many real-world domains, such as in healthcare, recommender systems, or robotics, where online data collection is an expensive and potentially dangerous process. Being able to accurately evaluate and select high-performing policies without requiring online interaction could yield significant benefits in safety, time, and cost for these applications. While many OPE methods have been proposed in recent years, comparing results between papers is difficult because currently there is a lack of a comprehensive and unified benchmark, and measuring algorithmic progress has been challenging due to the lack of difficult evaluation tasks. In order to address this gap, we present a collection of policies that in conjunction with existing offline datasets can be used for benchmarking off-policy evaluation. Our tasks include a range of challenging high-dimensional continuous control problems, with wide selections of datasets and policies for performing policy selection. The goal of our benchmark is to provide a standardized measure of progress that is motivated from a set of principles designed to challenge and test the limits of existing OPE methods. We perform an evaluation of state-of-the-art algorithms and provide open-source access to our data and code to foster future research in this area.

Caglar Gulcehre, Ziyu Wang, Alexander Novikov et al.

Offline methods for reinforcement learning have a potential to help bridge the gap between reinforcement learning research and real-world applications. They make it possible to learn policies from offline datasets, thus overcoming concerns associated with online data collection in the real-world, including cost, safety, or ethical concerns. In this paper, we propose a benchmark called RL Unplugged to evaluate and compare offline RL methods. RL Unplugged includes data from a diverse range of domains including games (e.g., Atari benchmark) and simulated motor control problems (e.g., DM Control Suite). The datasets include domains that are partially or fully observable, use continuous or discrete actions, and have stochastic vs. deterministic dynamics. We propose detailed evaluation protocols for each domain in RL Unplugged and provide an extensive analysis of supervised learning and offline RL methods using these protocols. We will release data for all our tasks and open-source all algorithms presented in this paper. We hope that our suite of benchmarks will increase the reproducibility of experiments and make it possible to study challenging tasks with a limited computational budget, thus making RL research both more systematic and more accessible across the community. Moving forward, we view RL Unplugged as a living benchmark suite that will evolve and grow with datasets contributed by the research community and ourselves. Our project page is available on https://git.io/JJUhd.

Francisco J. R. Ruiz, Tuomas Laakkonen, Johannes Bausch et al.

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.

Petar Veličković, Alex Vitvitskyi, Larisa Markeeva et al.

Recent years have seen a significant surge in complex AI systems for competitive programming, capable of performing at admirable levels against human competitors. While steady progress has been made, the highest percentiles still remain out of reach for these methods on standard competition platforms such as Codeforces. Here we instead focus on combinatorial competitive programming, where the target is to find as-good-as-possible solutions to otherwise computationally intractable problems, over specific given inputs. We hypothesise that this scenario offers a unique testbed for human-AI synergy, as human programmers can write a backbone of a heuristic solution, after which AI can be used to optimise the scoring function used by the heuristic. We deploy our approach on previous iterations of Hash Code, a global team programming competition inspired by NP-hard software engineering problems at Google, and we leverage FunSearch to evolve our scoring functions. Our evolved solutions significantly improve the attained scores from their baseline, successfully breaking into the top percentile on all previous Hash Code online qualification rounds, and outperforming the top human teams on several. Our method is also performant on an optimisation problem that featured in a recent held-out AtCoder contest.

Hongzheng Chen, Alexander Novikov, Ngân Vũ et al.

Modern compilers rely on hand-crafted heuristics to guide optimization passes. These human-designed rules often struggle to adapt to the complexity of modern software and hardware and lead to high maintenance burden. To address this challenge, we present Magellan, an agentic framework that evolves the compiler pass itself by synthesizing executable C++ decision logic. Magellan couples an LLM coding agent with evolutionary search and autotuning in a closed loop of generation, evaluation on user-provided macro-benchmarks, and refinement, producing compact heuristics that integrate directly into existing compilers. Across several production optimization tasks, Magellan discovers policies that match or surpass expert baselines. In LLVM function inlining, Magellan synthesizes new heuristics that outperform decades of manual engineering for both binary-size reduction and end-to-end performance. In register allocation, it learns a concise priority rule for live-range processing that matches intricate human-designed policies on a large-scale workload. We also report preliminary results on XLA problems, demonstrating portability beyond LLVM with reduced engineering effort.

Alexander Novikov, Maxim Rakhuba, Ivan Oseledets

In scientific computing and machine learning applications, matrices and more general multidimensional arrays (tensors) can often be approximated with the help of low-rank decompositions. Since matrices and tensors of fixed rank form smooth Riemannian manifolds, one of the popular tools for finding low-rank approximations is to use Riemannian optimization. Nevertheless, efficient implementation of Riemannian gradients and Hessians, required in Riemannian optimization algorithms, can be a nontrivial task in practice. Moreover, in some cases, analytic formulas are not even available. In this paper, we build upon automatic differentiation and propose a method that, given an implementation of the function to be minimized, efficiently computes Riemannian gradients and matrix-by-vector products between an approximate Riemannian Hessian and a given vector.

Ksenia Konyushkova, Konrad Zolna, Yusuf Aytar et al.

In offline reinforcement learning (RL) agents are trained using a logged dataset. It appears to be the most natural route to attack real-life applications because in domains such as healthcare and robotics interactions with the environment are either expensive or unethical. Training agents usually requires reward functions, but unfortunately, rewards are seldom available in practice and their engineering is challenging and laborious. To overcome this, we investigate reward learning under the constraint of minimizing human reward annotations. We consider two types of supervision: timestep annotations and demonstrations. We propose semi-supervised learning algorithms that learn from limited annotations and incorporate unlabelled data. In our experiments with a simulated robotic arm, we greatly improve upon behavioural cloning and closely approach the performance achieved with ground truth rewards. We further investigate the relationship between the quality of the reward model and the final policies. We notice, for example, that the reward models do not need to be perfect to result in useful policies.

Konrad Zolna, Alexander Novikov, Ksenia Konyushkova et al.

Behavior cloning (BC) is often practical for robot learning because it allows a policy to be trained offline without rewards, by supervised learning on expert demonstrations. However, BC does not effectively leverage what we will refer to as unlabeled experience: data of mixed and unknown quality without reward annotations. This unlabeled data can be generated by a variety of sources such as human teleoperation, scripted policies and other agents on the same robot. Towards data-driven offline robot learning that can use this unlabeled experience, we introduce Offline Reinforced Imitation Learning (ORIL). ORIL first learns a reward function by contrasting observations from demonstrator and unlabeled trajectories, then annotates all data with the learned reward, and finally trains an agent via offline reinforcement learning. Across a diverse set of continuous control and simulated robotic manipulation tasks, we show that ORIL consistently outperforms comparable BC agents by effectively leveraging unlabeled experience.

Alexey Vishnyakov, Andrey Fedotov, Daniil Kuts et al.

The security development lifecycle (SDL) is becoming an industry standard. Dynamic symbolic execution (DSE) has enormous amount of applications in computer security (fuzzing, vulnerability discovery, reverse-engineering, etc.). We propose several performance and accuracy improvements for dynamic symbolic execution. Skipping non-symbolic instructions allows to build a path predicate 1.2--3.5 times faster. Symbolic engine simplifies formulas during symbolic execution. Path predicate slicing eliminates irrelevant conjuncts from solver queries. We handle each jump table (switch statement) as multiple branches and describe the method for symbolic execution of multi-threaded programs. The proposed solutions were implemented in Sydr tool. Sydr performs inversion of branches in path predicate. Sydr combines DynamoRIO dynamic binary instrumentation tool with Triton symbolic engine. We evaluated Sydr features on 64-bit Linux executables.

Tom Le Paine, Cosmin Paduraru, Andrea Michi et al.

Offline reinforcement learning (RL purely from logged data) is an important avenue for deploying RL techniques in real-world scenarios. However, existing hyperparameter selection methods for offline RL break the offline assumption by evaluating policies corresponding to each hyperparameter setting in the environment. This online execution is often infeasible and hence undermines the main aim of offline RL. Therefore, in this work, we focus on \textit{offline hyperparameter selection}, i.e. methods for choosing the best policy from a set of many policies trained using different hyperparameters, given only logged data. Through large-scale empirical evaluation we show that: 1) offline RL algorithms are not robust to hyperparameter choices, 2) factors such as the offline RL algorithm and method for estimating Q values can have a big impact on hyperparameter selection, and 3) when we control those factors carefully, we can reliably rank policies across hyperparameter choices, and therefore choose policies which are close to the best policy in the set. Overall, our results present an optimistic view that offline hyperparameter selection is within reach, even in challenging tasks with pixel observations, high dimensional action spaces, and long horizon.

Ziyu Wang, Alexander Novikov, Konrad Zolna et al.

Offline reinforcement learning (RL), also known as batch RL, offers the prospect of policy optimization from large pre-recorded datasets without online environment interaction. It addresses challenges with regard to the cost of data collection and safety, both of which are particularly pertinent to real-world applications of RL. Unfortunately, most off-policy algorithms perform poorly when learning from a fixed dataset. In this paper, we propose a novel offline RL algorithm to learn policies from data using a form of critic-regularized regression (CRR). We find that CRR performs surprisingly well and scales to tasks with high-dimensional state and action spaces -- outperforming several state-of-the-art offline RL algorithms by a significant margin on a wide range of benchmark tasks.

Konrad Zolna, Scott Reed, Alexander Novikov et al.

We show that a critical vulnerability in adversarial imitation is the tendency of discriminator networks to learn spurious associations between visual features and expert labels. When the discriminator focuses on task-irrelevant features, it does not provide an informative reward signal, leading to poor task performance. We analyze this problem in detail and propose a solution that outperforms standard Generative Adversarial Imitation Learning (GAIL). Our proposed method, Task-Relevant Adversarial Imitation Learning (TRAIL), uses constrained discriminator optimization to learn informative rewards. In comprehensive experiments, we show that TRAIL can solve challenging robotic manipulation tasks from pixels by imitating human operators without access to any task rewards, and clearly outperforms comparable baseline imitation agents, including those trained via behaviour cloning and conventional GAIL.

Serkan Cabi, Sergio Gómez Colmenarejo, Alexander Novikov et al.

We present a framework for data-driven robotics that makes use of a large dataset of recorded robot experience and scales to several tasks using learned reward functions. We show how to apply this framework to accomplish three different object manipulation tasks on a real robot platform. Given demonstrations of a task together with task-agnostic recorded experience, we use a special form of human annotation as supervision to learn a reward function, which enables us to deal with real-world tasks where the reward signal cannot be acquired directly. Learned rewards are used in combination with a large dataset of experience from different tasks to learn a robot policy offline using batch RL. We show that using our approach it is possible to train agents to perform a variety of challenging manipulation tasks including stacking rigid objects and handling cloth.

Valentin Khrulkov, Alexander Novikov, Ivan Oseledets

Deep neural networks are surprisingly efficient at solving practical tasks, but the theory behind this phenomenon is only starting to catch up with the practice. Numerous works show that depth is the key to this efficiency. A certain class of deep convolutional networks -- namely those that correspond to the Hierarchical Tucker (HT) tensor decomposition -- has been proven to have exponentially higher expressive power than shallow networks. I.e. a shallow network of exponential width is required to realize the same score function as computed by the deep architecture. In this paper, we prove the expressive power theorem (an exponential lower bound on the width of the equivalent shallow network) for a class of recurrent neural networks -- ones that correspond to the Tensor Train (TT) decomposition. This means that even processing an image patch by patch with an RNN can be exponentially more efficient than a (shallow) convolutional network with one hidden layer. Using theoretical results on the relation between the tensor decompositions we compare expressive powers of the HT- and TT-Networks. We also implement the recurrent TT-Networks and provide numerical evidence of their expressivity.

Pavel Izmailov, Alexander Novikov, Dmitry Kropotov

We propose a method (TT-GP) for approximate inference in Gaussian Process (GP) models. We build on previous scalable GP research including stochastic variational inference based on inducing inputs, kernel interpolation, and structure exploiting algebra. The key idea of our method is to use Tensor Train decomposition for variational parameters, which allows us to train GPs with billions of inducing inputs and achieve state-of-the-art results on several benchmarks. Further, our approach allows for training kernels based on deep neural networks without any modifications to the underlying GP model. A neural network learns a multidimensional embedding for the data, which is used by the GP to make the final prediction. We train GP and neural network parameters end-to-end without pretraining, through maximization of GP marginal likelihood. We show the efficiency of the proposed approach on several regression and classification benchmark datasets including MNIST, CIFAR-10, and Airline.

Timur Garipov, Dmitry Podoprikhin, Alexander Novikov et al.

Convolutional neural networks excel in image recognition tasks, but this comes at the cost of high computational and memory complexity. To tackle this problem, [1] developed a tensor factorization framework to compress fully-connected layers. In this paper, we focus on compressing convolutional layers. We show that while the direct application of the tensor framework [1] to the 4-dimensional kernel of convolution does compress the layer, we can do better. We reshape the convolutional kernel into a tensor of higher order and factorize it. We combine the proposed approach with the previous work to compress both convolutional and fully-connected layers of a network and achieve 80x network compression rate with 1.1% accuracy drop on the CIFAR-10 dataset.

Alexander Novikov, Mikhail Trofimov, Ivan Oseledets

Modeling interactions between features improves the performance of machine learning solutions in many domains (e.g. recommender systems or sentiment analysis). In this paper, we introduce Exponential Machines (ExM), a predictor that models all interactions of every order. The key idea is to represent an exponentially large tensor of parameters in a factorized format called Tensor Train (TT). The Tensor Train format regularizes the model and lets you control the number of underlying parameters. To train the model, we develop a stochastic Riemannian optimization procedure, which allows us to fit tensors with 2^160 entries. We show that the model achieves state-of-the-art performance on synthetic data with high-order interactions and that it works on par with high-order factorization machines on a recommender system dataset MovieLens 100K.

Alexander Novikov, Dmitry Podoprikhin, Anton Osokin et al.

Deep neural networks currently demonstrate state-of-the-art performance in several domains. At the same time, models of this class are very demanding in terms of computational resources. In particular, a large amount of memory is required by commonly used fully-connected layers, making it hard to use the models on low-end devices and stopping the further increase of the model size. In this paper we convert the dense weight matrices of the fully-connected layers to the Tensor Train format such that the number of parameters is reduced by a huge factor and at the same time the expressive power of the layer is preserved. In particular, for the Very Deep VGG networks we report the compression factor of the dense weight matrix of a fully-connected layer up to 200000 times leading to the compression factor of the whole network up to 7 times.