Valentin Khrulkov

Aleksandr Ermolov, Leyla Mirvakhabova, Valentin Khrulkov et al.

Metric learning aims to learn a highly discriminative model encouraging the embeddings of similar classes to be close in the chosen metrics and pushed apart for dissimilar ones. The common recipe is to use an encoder to extract embeddings and a distance-based loss function to match the representations -- usually, the Euclidean distance is utilized. An emerging interest in learning hyperbolic data embeddings suggests that hyperbolic geometry can be beneficial for natural data. Following this line of work, we propose a new hyperbolic-based model for metric learning. At the core of our method is a vision transformer with output embeddings mapped to hyperbolic space. These embeddings are directly optimized using modified pairwise cross-entropy loss. We evaluate the proposed model with six different formulations on four datasets achieving the new state-of-the-art performance. The source code is available at https://github.com/htdt/hyp_metric.

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.

Valentin Khrulkov, Ivan Oseledets

Conventional ways to solve optimization problems on low-rank matrix sets which appear in great number of applications ignore its underlying structure of an algebraic variety and existence of singular points. This leads to appearance of inverses of singular values in algorithms and since they could be close to $0$ it causes certain problems. We tackle this problem by utilizing ideas from the algebraic geometry and show how to desingularize these sets. Our main result is algorithm which uses only bounded functions of singular values and hence does not suffer from the issue described above.

Valentin Khrulkov, Maxim Rakhuba, Ivan Oseledets

Convolution with Green's function of a differential operator appears in a lot of applications e.g. Lippmann-Schwinger integral equation. Algorithms for computing such are usually non-trivial and require non-uniform mesh. However, recently Vico, Greengard and Ferrando developed method for computing convolution with smooth functions with compact support with spectral accuracy, requiring nothing more than Fast Fourier Transform (FFT). Their approach is very suitable for the low-rank tensor implementation which we develop using Quantized Tensor Train (QTT) decomposition.

Nikita Starodubcev, Dmitry Baranchuk, Valentin Khrulkov et al.

Recent advances in diffusion models enable many powerful instruments for image editing. One of these instruments is text-driven image manipulations: editing semantic attributes of an image according to the provided text description. % Popular text-conditional diffusion models offer various high-quality image manipulation methods for a broad range of text prompts. Existing diffusion-based methods already achieve high-quality image manipulations for a broad range of text prompts. However, in practice, these methods require high computation costs even with a high-end GPU. This greatly limits potential real-world applications of diffusion-based image editing, especially when running on user devices. In this paper, we address efficiency of the recent text-driven editing methods based on unconditional diffusion models and develop a novel algorithm that learns image manipulations 4.5-10 times faster and applies them 8 times faster. We carefully evaluate the visual quality and expressiveness of our approach on multiple datasets using human annotators. Our experiments demonstrate that our algorithm achieves the quality of much more expensive methods. Finally, we show that our approach can adapt the pretrained model to the user-specified image and text description on the fly just for 4 seconds. In this setting, we notice that more compact unconditional diffusion models can be considered as a rational alternative to the popular text-conditional counterparts.

Evgenii Maslov, Valentin Khrulkov, Anastasia Volkova et al.

The conceptual design phase in architecture and urban planning, particularly building massing, is complex and heavily reliant on designer intuition and manual effort. To address this, we propose an automated framework for generating building massing based on functional requirements and site context. A primary obstacle to such data-driven methods has been the lack of suitable datasets. Consequently, we introduce the CoMa-20K dataset, a comprehensive collection that includes detailed massing geometries, associated economical and programmatic data, and visual representations of the development site within its existing urban context. We benchmark this dataset by formulating massing generation as a conditional task for Vision-Language Models (VLMs), evaluating both fine-tuned and large zero-shot models. Our experiments reveal the inherent complexity of the task while demonstrating the potential of VLMs to produce context-sensitive massing options. The dataset and analysis establish a foundational benchmark and highlight significant opportunities for future research in data-driven architectural design.

Anton Gusarov, Anastasia Volkova, Valentin Khrulkov et al.

While Retrieval-Augmented Generation (RAG) methods commonly draw information from unstructured documents, the emerging paradigm of GraphRAG aims to leverage structured data such as knowledge graphs. Most existing GraphRAG efforts focus on Resource Description Framework (RDF) knowledge graphs, relying on triple representations and SPARQL queries. However, the potential of Cypher and Labeled Property Graph (LPG) databases to serve as scalable and effective reasoning engines within GraphRAG pipelines remains underexplored in current research literature. To fill this gap, we propose Multi-Agent GraphRAG, a modular LLM agentic system for text-to-Cypher query generation serving as a natural language interface to LPG-based graph data. Our proof-of-concept system features an LLM-based workflow for automated Cypher queries generation and execution, using Memgraph as the graph database backend. Iterative content-aware correction and normalization, reinforced by an aggregated feedback loop, ensures both semantic and syntactic refinement of generated queries. We evaluate our system on the CypherBench graph dataset covering several general domains with diverse types of queries. In addition, we demonstrate performance of the proposed workflow on a property graph derived from the IFC (Industry Foundation Classes) data, representing a digital twin of a building. This highlights how such an approach can bridge AI with real-world applications at scale, enabling industrial digital automation use cases.

Sergey Kolesnikov, Valentin Khrulkov

We present Catalyst.RL, an open-source PyTorch framework for reproducible and sample efficient reinforcement learning (RL) research. Main features of Catalyst.RL include large-scale asynchronous distributed training, efficient implementations of various RL algorithms and auxiliary tricks, such as n-step returns, value distributions, hyperbolic reinforcement learning, etc. To demonstrate the effectiveness of Catalyst.RL, we applied it to a physics-based reinforcement learning challenge "NeurIPS 2019: Learn to Move -- Walk Around" with the objective to build a locomotion controller for a human musculoskeletal model. The environment is computationally expensive, has a high-dimensional continuous action space and is stochastic. Our team took the 2nd place, capitalizing on the ability of Catalyst.RL to train high-quality and sample-efficient RL agents in only a few hours of training time. The implementation along with experiments is open-sourced so results can be reproduced and novel ideas tried out.

Anton Voronov, Denis Kuznedelev, Mikhail Khoroshikh et al.

This work presents Switti, a scale-wise transformer for text-to-image generation. We start by adapting an existing next-scale prediction autoregressive (AR) architecture to T2I generation, investigating and mitigating training stability issues in the process. Next, we argue that scale-wise transformers do not require causality and propose a non-causal counterpart facilitating ~21% faster sampling and lower memory usage while also achieving slightly better generation quality. Furthermore, we reveal that classifier-free guidance at high-resolution scales is often unnecessary and can even degrade performance. By disabling guidance at these scales, we achieve an additional sampling acceleration of ~32% and improve the generation of fine-grained details. Extensive human preference studies and automated evaluations show that Switti outperforms existing T2I AR models and competes with state-of-the-art T2I diffusion models while being up to 7x faster.

Sergey Kastryulin, Artem Konev, Alexander Shishenya et al.

In the rapidly progressing field of generative models, the development of efficient and high-fidelity text-to-image diffusion systems represents a significant frontier. This study introduces YaART, a novel production-grade text-to-image cascaded diffusion model aligned to human preferences using Reinforcement Learning from Human Feedback (RLHF). During the development of YaART, we especially focus on the choices of the model and training dataset sizes, the aspects that were not systematically investigated for text-to-image cascaded diffusion models before. In particular, we comprehensively analyze how these choices affect both the efficiency of the training process and the quality of the generated images, which are highly important in practice. Furthermore, we demonstrate that models trained on smaller datasets of higher-quality images can successfully compete with those trained on larger datasets, establishing a more efficient scenario of diffusion models training. From the quality perspective, YaART is consistently preferred by users over many existing state-of-the-art models.

Alexey Kravatskiy, Valentin Khrulkov, Ivan Oseledets

Recent advances in LLM-guided evolutionary computation, particularly AlphaEvolve, have demonstrated remarkable success in discovering novel mathematical constructions and solving challenging optimization problems. In this article, we present ImprovEvolve, a simple yet effective technique for enhancing LLM-based evolutionary approaches such as AlphaEvolve. Given an optimization problem, the standard approach is to evolve program code that, when executed, produces a solution close to the optimum. We propose an alternative program parameterization that maintains the ability to construct optimal solutions while reducing the cognitive load on the LLM. Specifically, we evolve a program (implementing, e.g., a Python class with a prescribed interface) that provides the following functionality: (1) propose a valid initial solution, (2) improve any given solution in terms of fitness, and (3) perturb a solution with a specified intensity. The optimum can then be approached by iteratively applying improve() and perturb() with a scheduled intensity. We evaluate ImprovEvolve on challenging problems from the AlphaEvolve paper: hexagon packing in a hexagon and the second autocorrelation inequality. For hexagon packing, the evolved program achieves new state-of-the-art results for 11, 12, 15, and 16 hexagons; a lightly human-edited variant further improves results for 14, 17, and 23 hexagons. For the second autocorrelation inequality, the human-edited program achieves a new state-of-the-art lower bound of 0.96258, improving upon AlphaEvolve's 0.96102.

Valentin Khrulkov, Gleb Ryzhakov, Andrei Chertkov et al.

Diffusion models have recently outperformed alternative approaches to model the distribution of natural images, such as GANs. Such diffusion models allow for deterministic sampling via the probability flow ODE, giving rise to a latent space and an encoder map. While having important practical applications, such as estimation of the likelihood, the theoretical properties of this map are not yet fully understood. In the present work, we partially address this question for the popular case of the VP SDE (DDPM) approach. We show that, perhaps surprisingly, the DDPM encoder map coincides with the optimal transport map for common distributions; we support this claim theoretically and by extensive numerical experiments.

Dmitry Baranchuk, Ivan Rubachev, Andrey Voynov et al.

Denoising diffusion probabilistic models have recently received much research attention since they outperform alternative approaches, such as GANs, and currently provide state-of-the-art generative performance. The superior performance of diffusion models has made them an appealing tool in several applications, including inpainting, super-resolution, and semantic editing. In this paper, we demonstrate that diffusion models can also serve as an instrument for semantic segmentation, especially in the setup when labeled data is scarce. In particular, for several pretrained diffusion models, we investigate the intermediate activations from the networks that perform the Markov step of the reverse diffusion process. We show that these activations effectively capture the semantic information from an input image and appear to be excellent pixel-level representations for the segmentation problem. Based on these observations, we describe a simple segmentation method, which can work even if only a few training images are provided. Our approach significantly outperforms the existing alternatives on several datasets for the same amount of human supervision.

Valentin Khrulkov, Leyla Mirvakhabova, Ivan Oseledets et al.

Recent advances in high-fidelity semantic image editing heavily rely on the presumably disentangled latent spaces of the state-of-the-art generative models, such as StyleGAN. Specifically, recent works show that it is possible to achieve decent controllability of attributes in face images via linear shifts along with latent directions. Several recent methods address the discovery of such directions, implicitly assuming that the state-of-the-art GANs learn the latent spaces with inherently linearly separable attribute distributions and semantic vector arithmetic properties. In our work, we show that nonlinear latent code manipulations realized as flows of a trainable Neural ODE are beneficial for many practical non-face image domains with more complex non-textured factors of variation. In particular, we investigate a large number of datasets with known attributes and demonstrate that certain attribute manipulations are challenging to obtain with linear shifts only.

Yury Gorishniy, Ivan Rubachev, Valentin Khrulkov et al.

The existing literature on deep learning for tabular data proposes a wide range of novel architectures and reports competitive results on various datasets. However, the proposed models are usually not properly compared to each other and existing works often use different benchmarks and experiment protocols. As a result, it is unclear for both researchers and practitioners what models perform best. Additionally, the field still lacks effective baselines, that is, the easy-to-use models that provide competitive performance across different problems. In this work, we perform an overview of the main families of DL architectures for tabular data and raise the bar of baselines in tabular DL by identifying two simple and powerful deep architectures. The first one is a ResNet-like architecture which turns out to be a strong baseline that is often missing in prior works. The second model is our simple adaptation of the Transformer architecture for tabular data, which outperforms other solutions on most tasks. Both models are compared to many existing architectures on a diverse set of tasks under the same training and tuning protocols. We also compare the best DL models with Gradient Boosted Decision Trees and conclude that there is still no universally superior solution.

Valentin Khrulkov, Leyla Mirvakhabova, Ivan Oseledets et al.

Constructing disentangled representations is known to be a difficult task, especially in the unsupervised scenario. The dominating paradigm of unsupervised disentanglement is currently to train a generative model that separates different factors of variation in its latent space. This separation is typically enforced by training with specific regularization terms in the model's objective function. These terms, however, introduce additional hyperparameters responsible for the trade-off between disentanglement and generation quality. While tuning these hyperparameters is crucial for proper disentanglement, it is often unclear how to tune them without external supervision. This paper investigates an alternative route to disentangled representations. Namely, we propose to extract such representations from the state-of-the-art generative models trained without disentangling terms in their objectives. This paradigm of post hoc disentanglement employs little or no hyperparameters when learning representations while achieving results on par with existing state-of-the-art, as shown by comparison in terms of established disentanglement metrics, fairness, and the abstract reasoning task. All our code and models are publicly available.

Valentin Khrulkov, Artem Babenko, Ivan Oseledets

Recent work demonstrated the benefits of studying continuous-time dynamics governing the GAN training. However, this dynamics is analyzed in the model parameter space, which results in finite-dimensional dynamical systems. We propose a novel perspective where we study the local dynamics of adversarial training in the general functional space and show how it can be represented as a system of partial differential equations. Thus, the convergence properties can be inferred from the eigenvalues of the resulting differential operator. We show that these eigenvalues can be efficiently estimated from the target dataset before training. Our perspective reveals several insights on the practical tricks commonly used to stabilize GANs, such as gradient penalty, data augmentation, and advanced integration schemes. As an immediate practical benefit, we demonstrate how one can a priori select an optimal data augmentation strategy for a particular generation task.

Leyla Mirvakhabova, Evgeny Frolov, Valentin Khrulkov et al.

We introduce a simple autoencoder based on hyperbolic geometry for solving standard collaborative filtering problem. In contrast to many modern deep learning techniques, we build our solution using only a single hidden layer. Remarkably, even with such a minimalistic approach, we not only outperform the Euclidean counterpart but also achieve a competitive performance with respect to the current state-of-the-art. We additionally explore the effects of space curvature on the quality of hyperbolic models and propose an efficient data-driven method for estimating its optimal value.

Valentin Khrulkov, Ivan Oseledets

Despite the fact that generative models are extremely successful in practice, the theory underlying this phenomenon is only starting to catch up with practice. In this work we address the question of the universality of generative models: is it true that neural networks can approximate any data manifold arbitrarily well? We provide a positive answer to this question and show that under mild assumptions on the activation function one can always find a feedforward neural network that maps the latent space onto a set located within the specified Hausdorff distance from the desired data manifold. We also prove similar theorems for the case of multiclass generative models and cycle generative models, trained to map samples from one manifold to another and vice versa.

Valentin Khrulkov, Leyla Mirvakhabova, Evgeniya Ustinova et al.

Computer vision tasks such as image classification, image retrieval and few-shot learning are currently dominated by Euclidean and spherical embeddings, so that the final decisions about class belongings or the degree of similarity are made using linear hyperplanes, Euclidean distances, or spherical geodesic distances (cosine similarity). In this work, we demonstrate that in many practical scenarios hyperbolic embeddings provide a better alternative.

Valentin Khrulkov, Oleksii Hrinchuk, Ivan Oseledets

Recurrent Neural Networks (RNNs) are very successful at solving challenging problems with sequential data. However, this observed efficiency is not yet entirely explained by theory. It is known that a certain class of multiplicative RNNs enjoys the property of depth efficiency --- a shallow network of exponentially large width is necessary to realize the same score function as computed by such an RNN. Such networks, however, are not very often applied to real life tasks. In this work, we attempt to reduce the gap between theory and practice by extending the theoretical analysis to RNNs which employ various nonlinearities, such as Rectified Linear Unit (ReLU), and show that they also benefit from properties of universality and depth efficiency. Our theoretical results are verified by a series of extensive computational experiments.

Oleksii Hrinchuk, Valentin Khrulkov, Leyla Mirvakhabova et al.

The embedding layers transforming input words into real vectors are the key components of deep neural networks used in natural language processing. However, when the vocabulary is large, the corresponding weight matrices can be enormous, which precludes their deployment in a limited resource setting. We introduce a novel way of parametrizing embedding layers based on the Tensor Train (TT) decomposition, which allows compressing the model significantly at the cost of a negligible drop or even a slight gain in performance. We evaluate our method on a wide range of benchmarks in natural language processing and analyze the trade-off between performance and compression ratios for a wide range of architectures, from MLPs to LSTMs and Transformers.

Valentin Khrulkov, Ivan Oseledets

One of the biggest challenges in the research of generative adversarial networks (GANs) is assessing the quality of generated samples and detecting various levels of mode collapse. In this work, we construct a novel measure of performance of a GAN by comparing geometrical properties of the underlying data manifold and the generated one, which provides both qualitative and quantitative means for evaluation. Our algorithm can be applied to datasets of an arbitrary nature and is not limited to visual data. We test the obtained metric on various real-life models and datasets and demonstrate that our method provides new insights into properties of GANs.

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.

Valentin Khrulkov, Ivan Oseledets

Vulnerability of Deep Neural Networks (DNNs) to adversarial attacks has been attracting a lot of attention in recent studies. It has been shown that for many state of the art DNNs performing image classification there exist universal adversarial perturbations --- image-agnostic perturbations mere addition of which to natural images with high probability leads to their misclassification. In this work we propose a new algorithm for constructing such universal perturbations. Our approach is based on computing the so-called $(p, q)$-singular vectors of the Jacobian matrices of hidden layers of a network. Resulting perturbations present interesting visual patterns, and by using only 64 images we were able to construct universal perturbations with more than 60 \% fooling rate on the dataset consisting of 50000 images. We also investigate a correlation between the maximal singular value of the Jacobian matrix and the fooling rate of the corresponding singular vector, and show that the constructed perturbations generalize across networks.