Matej Balog

Abbas Mehrabian, Ankit Anand, Hyunjik Kim et al.

This work studies a central extremal graph theory problem inspired by a 1975 conjecture of Erdős, which aims to find graphs with a given size (number of nodes) that maximize the number of edges without having 3- or 4-cycles. We formulate this problem as a sequential decision-making problem and compare AlphaZero, a neural network-guided tree search, with tabu search, a heuristic local search method. Using either method, by introducing a curriculum -- jump-starting the search for larger graphs using good graphs found at smaller sizes -- we improve the state-of-the-art lower bounds for several sizes. We also propose a flexible graph-generation environment and a permutation-invariant network architecture for learning to search in the space of graphs.

George Tsoukalas, Anton Kovsharov, Sergey Shirobokov et al.

Large language models (LLMs) increasingly excel at mathematical reasoning, but their unreliability limits their utility in mathematics research. A mitigation is using LLMs to generate formal proofs in languages like Lean. We perform the first large-scale evaluation of this method's ability to solve open problems. Our most capable agent autonomously resolved 9 of 353 open Erdős problems at the per-problem cost of a few hundred dollars, proved 44/492 OEIS conjectures, and is being deployed in combinatorics, optimization, graph theory, algebraic geometry, and quantum optics research. A basic agent alternating LLM-based generation with Lean-based verification replicated the Erdős successes but proved costlier on the hardest problems. These findings demonstrate the power of AI-aided formal proof search and shed light on the agent designs that enable it.

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.

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.

Matej Balog, Rishabh Singh, Petros Maniatis et al.

We present a new program synthesis approach that combines an encoder-decoder based synthesis architecture with a differentiable program fixer. Our approach is inspired from the fact that human developers seldom get their program correct on the first attempt, and perform iterative testing-based program fixing to get to the desired program functionality. Similarly, our approach first learns a distribution over programs conditioned on an encoding of a set of input-output examples, and then iteratively performs fix operations using the differentiable fixer. The fixer takes as input the original examples and the current program's outputs on example inputs, and generates a new distribution over the programs with the goal of reducing the discrepancies between the current program outputs and the desired example outputs. We train our architecture end-to-end on the RobustFill domain, and show that the addition of the fixer module leads to a significant improvement on synthesis accuracy compared to using beam search.

Matej Balog, Bart van Merriënboer, Subhodeep Moitra et al.

Graph neural networks have become increasingly popular in recent years due to their ability to naturally encode relational input data and their ability to scale to large graphs by operating on a sparse representation of graph adjacency matrices. As we look to scale up these models using custom hardware, a natural assumption would be that we need hardware tailored to sparse operations and/or dynamic control flow. In this work, we question this assumption by scaling up sparse graph neural networks using a platform targeted at dense computation on fixed-size data. Drawing inspiration from optimization of numerical algorithms on sparse matrices, we develop techniques that enable training the sparse graph neural network model from Allamanis et al. [2018] in 13 minutes using a 512-core TPUv2 Pod, whereas the original training takes almost a day.

Matej Balog, Ilya Tolstikhin, Bernhard Schölkopf

We lay theoretical foundations for new database release mechanisms that allow third-parties to construct consistent estimators of population statistics, while ensuring that the privacy of each individual contributing to the database is protected. The proposed framework rests on two main ideas. First, releasing (an estimate of) the kernel mean embedding of the data generating random variable instead of the database itself still allows third-parties to construct consistent estimators of a wide class of population statistics. Second, the algorithm can satisfy the definition of differential privacy by basing the released kernel mean embedding on entirely synthetic data points, while controlling accuracy through the metric available in a Reproducing Kernel Hilbert Space. We describe two instantiations of the proposed framework, suitable under different scenarios, and prove theoretical results guaranteeing differential privacy of the resulting algorithms and the consistency of estimators constructed from their outputs.

Matej Balog, Nilesh Tripuraneni, Zoubin Ghahramani et al.

The Gumbel trick is a method to sample from a discrete probability distribution, or to estimate its normalizing partition function. The method relies on repeatedly applying a random perturbation to the distribution in a particular way, each time solving for the most likely configuration. We derive an entire family of related methods, of which the Gumbel trick is one member, and show that the new methods have superior properties in several settings with minimal additional computational cost. In particular, for the Gumbel trick to yield computational benefits for discrete graphical models, Gumbel perturbations on all configurations are typically replaced with so-called low-rank perturbations. We show how a subfamily of our new methods adapts to this setting, proving new upper and lower bounds on the log partition function and deriving a family of sequential samplers for the Gibbs distribution. Finally, we balance the discussion by showing how the simpler analytical form of the Gumbel trick enables additional theoretical results.

Matej Balog, Alexander L. Gaunt, Marc Brockschmidt et al.

We develop a first line of attack for solving programming competition-style problems from input-output examples using deep learning. The approach is to train a neural network to predict properties of the program that generated the outputs from the inputs. We use the neural network's predictions to augment search techniques from the programming languages community, including enumerative search and an SMT-based solver. Empirically, we show that our approach leads to an order of magnitude speedup over the strong non-augmented baselines and a Recurrent Neural Network approach, and that we are able to solve problems of difficulty comparable to the simplest problems on programming competition websites.

Matej Balog, Balaji Lakshminarayanan, Zoubin Ghahramani et al.

We introduce the Mondrian kernel, a fast random feature approximation to the Laplace kernel. It is suitable for both batch and online learning, and admits a fast kernel-width-selection procedure as the random features can be re-used efficiently for all kernel widths. The features are constructed by sampling trees via a Mondrian process [Roy and Teh, 2009], and we highlight the connection to Mondrian forests [Lakshminarayanan et al., 2014], where trees are also sampled via a Mondrian process, but fit independently. This link provides a new insight into the relationship between kernel methods and random forests.

Matej Balog, Yee Whye Teh

This report is concerned with the Mondrian process and its applications in machine learning. The Mondrian process is a guillotine-partition-valued stochastic process that possesses an elegant self-consistency property. The first part of the report uses simple concepts from applied probability to define the Mondrian process and explore its properties. The Mondrian process has been used as the main building block of a clever online random forest classification algorithm that turns out to be equivalent to its batch counterpart. We outline a slight adaptation of this algorithm to regression, as the remainder of the report uses regression as a case study of how Mondrian processes can be utilized in machine learning. In particular, the Mondrian process will be used to construct a fast approximation to the computationally expensive kernel ridge regression problem with a Laplace kernel. The complexity of random guillotine partitions generated by a Mondrian process and hence the complexity of the resulting regression models is controlled by a lifetime hyperparameter. It turns out that these models can be efficiently trained and evaluated for all lifetimes in a given range at once, without needing to retrain them from scratch for each lifetime value. This leads to an efficient procedure for determining the right model complexity for a dataset at hand. The limitation of having a single lifetime hyperparameter will motivate the final Mondrian grid model, in which each input dimension is endowed with its own lifetime parameter. In this model we preserve the property that its hyperparameters can be tweaked without needing to retrain the modified model from scratch.