Aleksei Ustimenko

Neeti Pokharna, Olivier Jeunen, Yatharth Saraf et al.

Online evaluation of ranking and retrieval systems often relies on downstream monetization metrics such as app revenue or creator earnings. These metrics are typically heavy-tailed, with a small fraction of users dominating both mean and variance, leading to low statistical power and unreliable conclusions in A/B experiments -- especially under limited traffic. We present a practical framework for variance reduction in online experiments by combining post-stratification with CUPED. Our approach leverages pre-experiment covariates to improve the sensitivity of monetization experiments without requiring additional traffic. Deployed at ShareChat across ranking-driven monetization experiments, the method substantially reduces variance and improves decision stability, achieving equivalent statistical confidence with ~45\% less traffic than standard metrics. We further discuss practical design choices, guardrails, and limitations, providing guidance on when post-stratification is appropriate for real-world information retrieval and Recommendation systems.

Olivier Jeunen, Ivan Potapov, Aleksei Ustimenko

Approaches to recommendation are typically evaluated in one of two ways: (1) via a (simulated) online experiment, often seen as the gold standard, or (2) via some offline evaluation procedure, where the goal is to approximate the outcome of an online experiment. Several offline evaluation metrics have been adopted in the literature, inspired by ranking metrics prevalent in the field of Information Retrieval. (Normalised) Discounted Cumulative Gain (nDCG) is one such metric that has seen widespread adoption in empirical studies, and higher (n)DCG values have been used to present new methods as the state-of-the-art in top-$n$ recommendation for many years. Our work takes a critical look at this approach, and investigates when we can expect such metrics to approximate the gold standard outcome of an online experiment. We formally present the assumptions that are necessary to consider DCG an unbiased estimator of online reward and provide a derivation for this metric from first principles, highlighting where we deviate from its traditional uses in IR. Importantly, we show that normalising the metric renders it inconsistent, in that even when DCG is unbiased, ranking competing methods by their normalised DCG can invert their relative order. Through a correlation analysis between off- and on-line experiments conducted on a large-scale recommendation platform, we show that our unbiased DCG estimates strongly correlate with online reward, even when some of the metric's inherent assumptions are violated. This statement no longer holds for its normalised variant, suggesting that nDCG's practical utility may be limited.

Aleksei Ustimenko, Aleksandr Beznosikov

In this work, we consider rather general and broad class of Markov chains, Ito chains, that look like Euler-Maryama discretization of some Stochastic Differential Equation. The chain we study is a unified framework for theoretical analysis. It comes with almost arbitrary isotropic and state-dependent noise instead of normal and state-independent one as in most related papers. Moreover, in our chain the drift and diffusion coefficient can be inexact in order to cover wide range of applications as Stochastic Gradient Langevin Dynamics, sampling, Stochastic Gradient Descent or Stochastic Gradient Boosting. We prove the bound in $W_{2}$-distance between the laws of our Ito chain and corresponding differential equation. These results improve or cover most of the known estimates. And for some particular cases, our analysis is the first.

Ivan Lyzhin, Aleksei Ustimenko, Andrey Gulin et al.

Nowadays, state-of-the-art learning-to-rank methods are based on gradient-boosted decision trees (GBDT). The most well-known algorithm is LambdaMART which was proposed more than a decade ago. Recently, several other GBDT-based ranking algorithms were proposed. In this paper, we thoroughly analyze these methods in a unified setup. In particular, we address the following questions. Is direct optimization of a smoothed ranking loss preferable over optimizing a convex surrogate? How to properly construct and smooth surrogate ranking losses? To address these questions, we compare LambdaMART with YetiRank and StochasticRank methods and their modifications. We also propose a simple improvement of the YetiRank approach that allows for optimizing specific ranking loss functions. As a result, we gain insights into learning-to-rank techniques and obtain a new state-of-the-art algorithm.

Aleksei Ustimenko, Artem Beliakov, Liudmila Prokhorenkova

This paper shows that gradient boosting based on symmetric decision trees can be equivalently reformulated as a kernel method that converges to the solution of a certain Kernel Ridge Regression problem. Thus, we obtain the convergence to a Gaussian Process' posterior mean, which, in turn, allows us to easily transform gradient boosting into a sampler from the posterior to provide better knowledge uncertainty estimates through Monte-Carlo estimation of the posterior variance. We show that the proposed sampler allows for better knowledge uncertainty estimates leading to improved out-of-domain detection.

Fabio Falcioni, Elena Orlova, Timothy Heightman et al.

In this work, we benchmark \simulacra's synthetic data generation pipeline against a state-of-the-art Microsoft pipeline on a dataset of small to large systems. By analyzing the energy quality, autocorrelation times, and effective sample size, our findings show that Simulacra's Large Wavefunction Models (LWM) pipeline, paired with state-of-the-art Variational Monte Carlo (VMC) sampling algorithms, reduces data generation costs by 15-50x, while maintaining parity in energy accuracy, and 2-3x compared to traditional CCSD methods on the scale of amino acids. This enables the creation of affordable, large-scale \textit{ab-initio} datasets, accelerating AI-driven optimization and discovery in the pharmaceutical industry and beyond. Our improvements are based on a novel and proprietary sampling scheme called Replica Exchange with Langevin Adaptive eXploration (RELAX).

Olivier Jeunen, Jatin Mandav, Ivan Potapov et al.

Real-world recommender systems often need to balance multiple objectives when deciding which recommendations to present to users. These include behavioural signals (e.g. clicks, shares, dwell time), as well as broader objectives (e.g. diversity, fairness). Scalarisation methods are commonly used to handle this balancing task, where a weighted average of per-objective reward signals determines the final score used for ranking. Naturally, how these weights are computed exactly, is key to success for any online platform. We frame this as a decision-making task, where the scalarisation weights are actions taken to maximise an overall North Star reward (e.g. long-term user retention or growth). We extend existing policy learning methods to the continuous multivariate action domain, proposing to maximise a pessimistic lower bound on the North Star reward that the learnt policy will yield. Typical lower bounds based on normal approximations suffer from insufficient coverage, and we propose an efficient and effective policy-dependent correction for this. We provide guidance to design stochastic data collection policies, as well as highly sensitive reward signals. Empirical observations from simulations, offline and online experiments highlight the efficacy of our deployed approach.

Olivier Jeunen, Aleksei Ustimenko

Online controlled experiments are a crucial tool to allow for confident decision-making in technology companies. A North Star metric is defined (such as long-term revenue or user retention), and system variants that statistically significantly improve on this metric in an A/B-test can be considered superior. North Star metrics are typically delayed and insensitive. As a result, the cost of experimentation is high: experiments need to run for a long time, and even then, type-II errors (i.e. false negatives) are prevalent. We propose to tackle this by learning metrics from short-term signals that directly maximise the statistical power they harness with respect to the North Star. We show that existing approaches are prone to overfitting, in that higher average metric sensitivity does not imply improved type-II errors, and propose to instead minimise the $p$-values a metric would have produced on a log of past experiments. We collect such datasets from two social media applications with over 160 million Monthly Active Users each, totalling over 153 A/B-pairs. Empirical results show that we are able to increase statistical power by up to 78% when using our learnt metrics stand-alone, and by up to 210% when used in tandem with the North Star. Alternatively, we can obtain constant statistical power at a sample size that is down to 12% of what the North Star requires, significantly reducing the cost of experimentation.

Shubham Baweja, Neeti Pokharna, Aleksei Ustimenko et al.

Online controlled experiments, such as A/B-tests, are commonly used by modern tech companies to enable continuous system improvements. Despite their paramount importance, A/B-tests are expensive: by their very definition, a percentage of traffic is assigned an inferior system variant. To ensure statistical significance on top-level metrics, online experiments typically run for several weeks. Even then, a considerable amount of experiments will lead to inconclusive results (i.e. false negatives, or type-II error). The main culprit for this inefficiency is the variance of the online metrics. Variance reduction techniques have been proposed in the literature, but their direct applicability to commonly used ratio metrics (e.g. click-through rate or user retention) is limited. In this work, we successfully apply variance reduction techniques to ratio metrics on a large-scale short-video platform: ShareChat. Our empirical results show that we can either improve A/B-test confidence in 77% of cases, or can retain the same level of confidence with 30% fewer data points. Importantly, we show that the common approach of including as many covariates as possible in regression is counter-productive, highlighting that control variates based on Gradient-Boosted Decision Tree predictors are most effective. We discuss the practicalities of implementing these methods at scale and showcase the cost reduction they beget.

Olivier Jeunen, Aleksei Ustimenko

The off-policy paradigm casts recommendation as a counterfactual decision-making task, allowing practitioners to unbiasedly estimate online metrics using offline data. This leads to effective evaluation metrics, as well as learning procedures that directly optimise online success. Nevertheless, the high variance that comes with unbiasedness is typically the crux that complicates practical applications. An important insight is that the difference between policy values can often be estimated with significantly reduced variance, if said policies have positive covariance. This allows us to formulate a pairwise off-policy estimation task: $Δ\text{-}{\rm OPE}$. $Δ\text{-}{\rm OPE}$ subsumes the common use-case of estimating improvements of a learnt policy over a production policy, using data collected by a stochastic logging policy. We introduce $Δ\text{-}{\rm OPE}$ methods based on the widely used Inverse Propensity Scoring estimator and its extensions. Moreover, we characterise a variance-optimal additive control variate that further enhances efficiency. Simulated, offline, and online experiments show that our methods significantly improve performance for both evaluation and learning tasks.

Elena Orlova, Aleksei Ustimenko, Ruoxi Jiang et al.

This paper introduces a novel deep-learning-based approach for numerical simulation of a time-evolving Schrödinger equation inspired by stochastic mechanics and generative diffusion models. Unlike existing approaches, which exhibit computational complexity that scales exponentially in the problem dimension, our method allows us to adapt to the latent low-dimensional structure of the wave function by sampling from the Markovian diffusion. Depending on the latent dimension, our method may have far lower computational complexity in higher dimensions. Moreover, we propose novel equations for stochastic quantum mechanics, resulting in quadratic computational complexity with respect to the number of dimensions. Numerical simulations verify our theoretical findings and show a significant advantage of our method compared to other deep-learning-based approaches used for quantum mechanics.

Andrey Malinin, Liudmila Prokhorenkova, Aleksei Ustimenko

For many practical, high-risk applications, it is essential to quantify uncertainty in a model's predictions to avoid costly mistakes. While predictive uncertainty is widely studied for neural networks, the topic seems to be under-explored for models based on gradient boosting. However, gradient boosting often achieves state-of-the-art results on tabular data. This work examines a probabilistic ensemble-based framework for deriving uncertainty estimates in the predictions of gradient boosting classification and regression models. We conducted experiments on a range of synthetic and real datasets and investigated the applicability of ensemble approaches to gradient boosting models that are themselves ensembles of decision trees. Our analysis shows that ensembles of gradient boosting models successfully detect anomalous inputs while having limited ability to improve the predicted total uncertainty. Importantly, we also propose a concept of a virtual ensemble to get the benefits of an ensemble via only one gradient boosting model, which significantly reduces complexity.

Aleksei Ustimenko, Liudmila Prokhorenkova

In this paper, we introduce a powerful and efficient framework for direct optimization of ranking metrics. The problem is ill-posed due to the discrete structure of the loss, and to deal with that, we introduce two important techniques: stochastic smoothing and novel gradient estimate based on partial integration. We show that classic smoothing approaches may introduce bias and present a universal solution for a proper debiasing. Importantly, we can guarantee global convergence of our method by adopting a recently proposed Stochastic Gradient Langevin Boosting algorithm. Our algorithm is implemented as a part of the CatBoost gradient boosting library and outperforms the existing approaches on several learning-to-rank datasets. In addition to ranking metrics, our framework applies to any scale-free discrete loss function.

Aleksei Ustimenko, Liudmila Prokhorenkova

This paper introduces Stochastic Gradient Langevin Boosting (SGLB) - a powerful and efficient machine learning framework that may deal with a wide range of loss functions and has provable generalization guarantees. The method is based on a special form of the Langevin diffusion equation specifically designed for gradient boosting. This allows us to theoretically guarantee the global convergence even for multimodal loss functions, while standard gradient boosting algorithms can guarantee only local optimum. We also empirically show that SGLB outperforms classic gradient boosting when applied to classification tasks with 0-1 loss function, which is known to be multimodal.