Wojciech Marian Czarnecki

Michaël Mathieu, Sherjil Ozair, Srivatsan Srinivasan et al.

StarCraft II is one of the most challenging simulated reinforcement learning environments; it is partially observable, stochastic, multi-agent, and mastering StarCraft II requires strategic planning over long time horizons with real-time low-level execution. It also has an active professional competitive scene. StarCraft II is uniquely suited for advancing offline RL algorithms, both because of its challenging nature and because Blizzard has released a massive dataset of millions of StarCraft II games played by human players. This paper leverages that and establishes a benchmark, called AlphaStar Unplugged, introducing unprecedented challenges for offline reinforcement learning. We define a dataset (a subset of Blizzard's release), tools standardizing an API for machine learning methods, and an evaluation protocol. We also present baseline agents, including behavior cloning, offline variants of actor-critic and MuZero. We improve the state of the art of agents using only offline data, and we achieve 90% win rate against previously published AlphaStar behavior cloning agent.

Quentin Bertrand, Wojciech Marian Czarnecki, Gauthier Gidel

Real-world competitive games, such as chess, go, or StarCraft II, rely on Elo models to measure the strength of their players. Since these games are not fully transitive, using Elo implicitly assumes they have a strong transitive component that can correctly be identified and extracted. In this study, we investigate the challenge of identifying the strength of the transitive component in games. First, we show that Elo models can fail to extract this transitive component, even in elementary transitive games. Then, based on this observation, we propose an extension of the Elo score: we end up with a disc ranking system that assigns each player two scores, which we refer to as skill and consistency. Finally, we propose an empirical validation on payoff matrices coming from real-world games played by bots and humans.

Marta Garnelo, Wojciech Marian Czarnecki

Attention-based models have been a key element of many recent breakthroughs in deep learning. Two key components of Attention are the structure of its input (which consists of keys, values and queries) and the computations by which these three are combined. In this paper we explore the space of models that share said input structure but are not restricted to the computations of Attention. We refer to this space as Keys-Values-Queries (KVQ) Space. Our goal is to determine whether there are any other stackable models in KVQ Space that Attention cannot efficiently approximate, which we can implement with our current deep learning toolbox and that solve problems that are interesting to the community. Maybe surprisingly, the solution to the standard least squares problem satisfies these properties. A neural network module that is able to compute this solution not only enriches the set of computations that a neural network can represent but is also provably a strict generalisation of Linear Attention. Even more surprisingly the computational complexity of this module is exactly the same as that of Attention, making it a suitable drop in replacement. With this novel connection between classical machine learning (least squares) and modern deep learning (Attention) established we justify a variation of our model which generalises regular Attention in the same way. Both new modules are put to the test an a wide spectrum of tasks ranging from few-shot learning to policy distillation that confirm their real-worlds applicability.

Marta Garnelo, Wojciech Marian Czarnecki, Siqi Liu et al.

Strategic diversity is often essential in games: in multi-player games, for example, evaluating a player against a diverse set of strategies will yield a more accurate estimate of its performance. Furthermore, in games with non-transitivities diversity allows a player to cover several winning strategies. However, despite the significance of strategic diversity, training agents that exhibit diverse behaviour remains a challenge. In this paper we study how to construct diverse populations of agents by carefully structuring how individuals within a population interact. Our approach is based on interaction graphs, which control the flow of information between agents during training and can encourage agents to specialise on different strategies, leading to improved overall performance. We provide evidence for the importance of diversity in multi-agent training and analyse the effect of applying different interaction graphs on the training trajectories, diversity and performance of populations in a range of games. This is an extended version of the long abstract published at AAMAS.

Open Ended Learning Team, Adam Stooke, Anuj Mahajan et al.

In this work we create agents that can perform well beyond a single, individual task, that exhibit much wider generalisation of behaviour to a massive, rich space of challenges. We define a universe of tasks within an environment domain and demonstrate the ability to train agents that are generally capable across this vast space and beyond. The environment is natively multi-agent, spanning the continuum of competitive, cooperative, and independent games, which are situated within procedurally generated physical 3D worlds. The resulting space is exceptionally diverse in terms of the challenges posed to agents, and as such, even measuring the learning progress of an agent is an open research problem. We propose an iterative notion of improvement between successive generations of agents, rather than seeking to maximise a singular objective, allowing us to quantify progress despite tasks being incomparable in terms of achievable rewards. We show that through constructing an open-ended learning process, which dynamically changes the training task distributions and training objectives such that the agent never stops learning, we achieve consistent learning of new behaviours. The resulting agent is able to score reward in every one of our humanly solvable evaluation levels, with behaviour generalising to many held-out points in the universe of tasks. Examples of this zero-shot generalisation include good performance on Hide and Seek, Capture the Flag, and Tag. Through analysis and hand-authored probe tasks we characterise the behaviour of our agent, and find interesting emergent heuristic behaviours such as trial-and-error experimentation, simple tool use, option switching, and cooperation. Finally, we demonstrate that the general capabilities of this agent could unlock larger scale transfer of behaviour through cheap finetuning.

Dhruva Tirumala, Alexandre Galashov, Hyeonwoo Noh et al.

As we deploy reinforcement learning agents to solve increasingly challenging problems, methods that allow us to inject prior knowledge about the structure of the world and effective solution strategies becomes increasingly important. In this work we consider how information and architectural constraints can be combined with ideas from the probabilistic modeling literature to learn behavior priors that capture the common movement and interaction patterns that are shared across a set of related tasks or contexts. For example the day-to day behavior of humans comprises distinctive locomotion and manipulation patterns that recur across many different situations and goals. We discuss how such behavior patterns can be captured using probabilistic trajectory models and how these can be integrated effectively into reinforcement learning schemes, e.g.\ to facilitate multi-task and transfer learning. We then extend these ideas to latent variable models and consider a formulation to learn hierarchical priors that capture different aspects of the behavior in reusable modules. We discuss how such latent variable formulations connect to related work on hierarchical reinforcement learning (HRL) and mutual information and curiosity based objectives, thereby offering an alternative perspective on existing ideas. We demonstrate the effectiveness of our framework by applying it to a range of simulated continuous control domains.

Wojciech Marian Czarnecki, Gauthier Gidel, Brendan Tracey et al.

This paper investigates the geometrical properties of real world games (e.g. Tic-Tac-Toe, Go, StarCraft II). We hypothesise that their geometrical structure resemble a spinning top, with the upright axis representing transitive strength, and the radial axis, which corresponds to the number of cycles that exist at a particular transitive strength, representing the non-transitive dimension. We prove the existence of this geometry for a wide class of real world games, exposing their temporal nature. Additionally, we show that this unique structure also has consequences for learning - it clarifies why populations of strategies are necessary for training of agents, and how population size relates to the structure of the game. Finally, we empirically validate these claims by using a selection of nine real world two-player zero-sum symmetric games, showing 1) the spinning top structure is revealed and can be easily re-constructed by using a new method of Nash clustering to measure the interaction between transitive and cyclical strategy behaviour, and 2) the effect that population size has on the convergence in these games.

Gauthier Gidel, David Balduzzi, Wojciech Marian Czarnecki et al.

Adversarial training, a special case of multi-objective optimization, is an increasingly prevalent machine learning technique: some of its most notable applications include GAN-based generative modeling and self-play techniques in reinforcement learning which have been applied to complex games such as Go or Poker. In practice, a \emph{single} pair of networks is typically trained in order to find an approximate equilibrium of a highly nonconcave-nonconvex adversarial problem. However, while a classic result in game theory states such an equilibrium exists in concave-convex games, there is no analogous guarantee if the payoff is nonconcave-nonconvex. Our main contribution is to provide an approximate minimax theorem for a large class of games where the players pick neural networks including WGAN, StarCraft II, and Blotto Game. Our findings rely on the fact that despite being nonconcave-nonconvex with respect to the neural networks parameters, these games are concave-convex with respect to the actual models (e.g., functions or distributions) represented by these neural networks.

Wojciech Marian Czarnecki, Simon Osindero, Razvan Pascanu et al.

The work "Loss Landscape Sightseeing with Multi-Point Optimization" (Skorokhodov and Burtsev, 2019) demonstrated that one can empirically find arbitrary 2D binary patterns inside loss surfaces of popular neural networks. In this paper we prove that: (i) this is a general property of deep universal approximators; and (ii) this property holds for arbitrary smooth patterns, for other dimensionalities, for every dataset, and any neural network that is sufficiently deep and wide. Our analysis predicts not only the existence of all such low-dimensional patterns, but also two other properties that were observed empirically: (i) that it is easy to find these patterns; and (ii) that they transfer to other data-sets (e.g. a test-set).

Wojciech Marian Czarnecki, Razvan Pascanu, Simon Osindero et al.

The transfer of knowledge from one policy to another is an important tool in Deep Reinforcement Learning. This process, referred to as distillation, has been used to great success, for example, by enhancing the optimisation of agents, leading to stronger performance faster, on harder domains [26, 32, 5, 8]. Despite the widespread use and conceptual simplicity of distillation, many different formulations are used in practice, and the subtle variations between them can often drastically change the performance and the resulting objective that is being optimised. In this work, we rigorously explore the entire landscape of policy distillation, comparing the motivations and strengths of each variant through theoretical and empirical analysis. Our results point to three distillation techniques, that are preferred depending on specifics of the task. Specifically a newly proposed expected entropy regularised distillation allows for quicker learning in a wide range of situations, while still guaranteeing convergence.

Wojciech Marian Czarnecki, Siddhant M. Jayakumar, Max Jaderberg et al.

We introduce Mix&Match (M&M) - a training framework designed to facilitate rapid and effective learning in RL agents, especially those that would be too slow or too challenging to train otherwise. The key innovation is a procedure that allows us to automatically form a curriculum over agents. Through such a curriculum we can progressively train more complex agents by, effectively, bootstrapping from solutions found by simpler agents. In contradistinction to typical curriculum learning approaches, we do not gradually modify the tasks or environments presented, but instead use a process to gradually alter how the policy is represented internally. We show the broad applicability of our method by demonstrating significant performance gains in three different experimental setups: (1) We train an agent able to control more than 700 actions in a challenging 3D first-person task; using our method to progress through an action-space curriculum we achieve both faster training and better final performance than one obtains using traditional methods. (2) We further show that M&M can be used successfully to progress through a curriculum of architectural variants defining an agents internal state. (3) Finally, we illustrate how a variant of our method can be used to improve agent performance in a multitask setting.

Yee Whye Teh, Victor Bapst, Wojciech Marian Czarnecki et al.

Most deep reinforcement learning algorithms are data inefficient in complex and rich environments, limiting their applicability to many scenarios. One direction for improving data efficiency is multitask learning with shared neural network parameters, where efficiency may be improved through transfer across related tasks. In practice, however, this is not usually observed, because gradients from different tasks can interfere negatively, making learning unstable and sometimes even less data efficient. Another issue is the different reward schemes between tasks, which can easily lead to one task dominating the learning of a shared model. We propose a new approach for joint training of multiple tasks, which we refer to as Distral (Distill & transfer learning). Instead of sharing parameters between the different workers, we propose to share a "distilled" policy that captures common behaviour across tasks. Each worker is trained to solve its own task while constrained to stay close to the shared policy, while the shared policy is trained by distillation to be the centroid of all task policies. Both aspects of the learning process are derived by optimizing a joint objective function. We show that our approach supports efficient transfer on complex 3D environments, outperforming several related methods. Moreover, the proposed learning process is more robust and more stable---attributes that are critical in deep reinforcement learning.

Karl Moritz Hermann, Felix Hill, Simon Green et al.

We are increasingly surrounded by artificially intelligent technology that takes decisions and executes actions on our behalf. This creates a pressing need for general means to communicate with, instruct and guide artificial agents, with human language the most compelling means for such communication. To achieve this in a scalable fashion, agents must be able to relate language to the world and to actions; that is, their understanding of language must be grounded and embodied. However, learning grounded language is a notoriously challenging problem in artificial intelligence research. Here we present an agent that learns to interpret language in a simulated 3D environment where it is rewarded for the successful execution of written instructions. Trained via a combination of reinforcement and unsupervised learning, and beginning with minimal prior knowledge, the agent learns to relate linguistic symbols to emergent perceptual representations of its physical surroundings and to pertinent sequences of actions. The agent's comprehension of language extends beyond its prior experience, enabling it to apply familiar language to unfamiliar situations and to interpret entirely novel instructions. Moreover, the speed with which this agent learns new words increases as its semantic knowledge grows. This facility for generalising and bootstrapping semantic knowledge indicates the potential of the present approach for reconciling ambiguous natural language with the complexity of the physical world.

Peter Sunehag, Guy Lever, Audrunas Gruslys et al.

We study the problem of cooperative multi-agent reinforcement learning with a single joint reward signal. This class of learning problems is difficult because of the often large combined action and observation spaces. In the fully centralized and decentralized approaches, we find the problem of spurious rewards and a phenomenon we call the "lazy agent" problem, which arises due to partial observability. We address these problems by training individual agents with a novel value decomposition network architecture, which learns to decompose the team value function into agent-wise value functions. We perform an experimental evaluation across a range of partially-observable multi-agent domains and show that learning such value-decompositions leads to superior results, in particular when combined with weight sharing, role information and information channels.

Wojciech Marian Czarnecki, Simon Osindero, Max Jaderberg et al.

At the heart of deep learning we aim to use neural networks as function approximators - training them to produce outputs from inputs in emulation of a ground truth function or data creation process. In many cases we only have access to input-output pairs from the ground truth, however it is becoming more common to have access to derivatives of the target output with respect to the input - for example when the ground truth function is itself a neural network such as in network compression or distillation. Generally these target derivatives are not computed, or are ignored. This paper introduces Sobolev Training for neural networks, which is a method for incorporating these target derivatives in addition the to target values while training. By optimising neural networks to not only approximate the function's outputs but also the function's derivatives we encode additional information about the target function within the parameters of the neural network. Thereby we can improve the quality of our predictors, as well as the data-efficiency and generalization capabilities of our learned function approximation. We provide theoretical justifications for such an approach as well as examples of empirical evidence on three distinct domains: regression on classical optimisation datasets, distilling policies of an agent playing Atari, and on large-scale applications of synthetic gradients. In all three domains the use of Sobolev Training, employing target derivatives in addition to target values, results in models with higher accuracy and stronger generalisation.

Wojciech Marian Czarnecki, Grzegorz Świrszcz, Max Jaderberg et al.

When training neural networks, the use of Synthetic Gradients (SG) allows layers or modules to be trained without update locking - without waiting for a true error gradient to be backpropagated - resulting in Decoupled Neural Interfaces (DNIs). This unlocked ability of being able to update parts of a neural network asynchronously and with only local information was demonstrated to work empirically in Jaderberg et al (2016). However, there has been very little demonstration of what changes DNIs and SGs impose from a functional, representational, and learning dynamics point of view. In this paper, we study DNIs through the use of synthetic gradients on feed-forward networks to better understand their behaviour and elucidate their effect on optimisation. We show that the incorporation of SGs does not affect the representational strength of the learning system for a neural network, and prove the convergence of the learning system for linear and deep linear models. On practical problems we investigate the mechanism by which synthetic gradient estimators approximate the true loss, and, surprisingly, how that leads to drastically different layer-wise representations. Finally, we also expose the relationship of using synthetic gradients to other error approximation techniques and find a unifying language for discussion and comparison.

Katarzyna Janocha, Wojciech Marian Czarnecki

Deep neural networks are currently among the most commonly used classifiers. Despite easily achieving very good performance, one of the best selling points of these models is their modular design - one can conveniently adapt their architecture to specific needs, change connectivity patterns, attach specialised layers, experiment with a large amount of activation functions, normalisation schemes and many others. While one can find impressively wide spread of various configurations of almost every aspect of the deep nets, one element is, in authors' opinion, underrepresented - while solving classification problems, vast majority of papers and applications simply use log loss. In this paper we try to investigate how particular choices of loss functions affect deep models and their learning dynamics, as well as resulting classifiers robustness to various effects. We perform experiments on classical datasets, as well as provide some additional, theoretical insights into the problem. In particular we show that L1 and L2 losses are, quite surprisingly, justified classification objectives for deep nets, by providing probabilistic interpretation in terms of expected misclassification. We also introduce two losses which are not typically used as deep nets objectives and show that they are viable alternatives to the existing ones.

Stanisław Jastrzebski, Damian Leśniak, Wojciech Marian Czarnecki

Maybe the single most important goal of representation learning is making subsequent learning faster. Surprisingly, this fact is not well reflected in the way embeddings are evaluated. In addition, recent practice in word embeddings points towards importance of learning specialized representations. We argue that focus of word representation evaluation should reflect those trends and shift towards evaluating what useful information is easily accessible. Specifically, we propose that evaluation should focus on data efficiency and simple supervised tasks, where the amount of available data is varied and scores of a supervised model are reported for each subset (as commonly done in transfer learning). In order to illustrate significance of such analysis, a comprehensive evaluation of selected word embeddings is presented. Proposed approach yields a more complete picture and brings new insight into performance characteristics, for instance information about word similarity or analogy tends to be non--linearly encoded in the embedding space, which questions the cosine-based, unsupervised, evaluation methods. All results and analysis scripts are available online.

Grzegorz Swirszcz, Wojciech Marian Czarnecki, Razvan Pascanu

There has been a lot of recent interest in trying to characterize the error surface of deep models. This stems from a long standing question. Given that deep networks are highly nonlinear systems optimized by local gradient methods, why do they not seem to be affected by bad local minima? It is widely believed that training of deep models using gradient methods works so well because the error surface either has no local minima, or if they exist they need to be close in value to the global minimum. It is known that such results hold under very strong assumptions which are not satisfied by real models. In this paper we present examples showing that for such theorem to be true additional assumptions on the data, initialization schemes and/or the model classes have to be made. We look at the particular case of finite size datasets. We demonstrate that in this scenario one can construct counter-examples (datasets or initialization schemes) when the network does become susceptible to bad local minima over the weight space.

Max Jaderberg, Volodymyr Mnih, Wojciech Marian Czarnecki et al.

Deep reinforcement learning agents have achieved state-of-the-art results by directly maximising cumulative reward. However, environments contain a much wider variety of possible training signals. In this paper, we introduce an agent that also maximises many other pseudo-reward functions simultaneously by reinforcement learning. All of these tasks share a common representation that, like unsupervised learning, continues to develop in the absence of extrinsic rewards. We also introduce a novel mechanism for focusing this representation upon extrinsic rewards, so that learning can rapidly adapt to the most relevant aspects of the actual task. Our agent significantly outperforms the previous state-of-the-art on Atari, averaging 880\% expert human performance, and a challenging suite of first-person, three-dimensional \emph{Labyrinth} tasks leading to a mean speedup in learning of 10$\times$ and averaging 87\% expert human performance on Labyrinth.

Max Jaderberg, Wojciech Marian Czarnecki, Simon Osindero et al.

Training directed neural networks typically requires forward-propagating data through a computation graph, followed by backpropagating error signal, to produce weight updates. All layers, or more generally, modules, of the network are therefore locked, in the sense that they must wait for the remainder of the network to execute forwards and propagate error backwards before they can be updated. In this work we break this constraint by decoupling modules by introducing a model of the future computation of the network graph. These models predict what the result of the modelled subgraph will produce using only local information. In particular we focus on modelling error gradients: by using the modelled synthetic gradient in place of true backpropagated error gradients we decouple subgraphs, and can update them independently and asynchronously i.e. we realise decoupled neural interfaces. We show results for feed-forward models, where every layer is trained asynchronously, recurrent neural networks (RNNs) where predicting one's future gradient extends the time over which the RNN can effectively model, and also a hierarchical RNN system with ticking at different timescales. Finally, we demonstrate that in addition to predicting gradients, the same framework can be used to predict inputs, resulting in models which are decoupled in both the forward and backwards pass -- amounting to independent networks which co-learn such that they can be composed into a single functioning corporation.

Stanisław Jastrzębski, Damian Leśniak, Wojciech Marian Czarnecki

This paper shows how one can directly apply natural language processing (NLP) methods to classification problems in cheminformatics. Connection between these seemingly separate fields is shown by considering standard textual representation of compound, SMILES. The problem of activity prediction against a target protein is considered, which is a crucial part of computer aided drug design process. Conducted experiments show that this way one can not only outrank state of the art results of hand crafted representations but also gets direct structural insights into the way decisions are made.

Wojciech Marian Czarnecki

Multithreshold Entropy Linear Classifier (MELC) is a recent classifier idea which employs information theoretic concept in order to create a multithreshold maximum margin model. In this paper we analyze its consistency over multithreshold linear models and show that its objective function upper bounds the amount of misclassified points in a similar manner like hinge loss does in support vector machines. For further confirmation we also conduct some numerical experiments on five datasets.

Rafal Jozefowicz, Wojciech Marian Czarnecki

Multithreshold Entropy Linear Classifier (MELC) is a density based model which searches for a linear projection maximizing the Cauchy-Schwarz Divergence of dataset kernel density estimation. Despite its good empirical results, one of its drawbacks is the optimization speed. In this paper we analyze how one can speed it up through solving an approximate problem. We analyze two methods, both similar to the approximate solutions of the Kernel Density Estimation querying and provide adaptive schemes for selecting a crucial parameters based on user-specified acceptable error. Furthermore we show how one can exploit well known conjugate gradients and L-BFGS optimizers despite the fact that the original optimization problem should be solved on the sphere. All above methods and modifications are tested on 10 real life datasets from UCI repository to confirm their practical usability.

Wojciech Marian Czarnecki, Rafał Józefowicz, Jacek Tabor

Representation learning is currently a very hot topic in modern machine learning, mostly due to the great success of the deep learning methods. In particular low-dimensional representation which discriminates classes can not only enhance the classification procedure, but also make it faster, while contrary to the high-dimensional embeddings can be efficiently used for visual based exploratory data analysis. In this paper we propose Maximum Entropy Linear Manifold (MELM), a multidimensional generalization of Multithreshold Entropy Linear Classifier model which is able to find a low-dimensional linear data projection maximizing discriminativeness of projected classes. As a result we obtain a linear embedding which can be used for classification, class aware dimensionality reduction and data visualization. MELM provides highly discriminative 2D projections of the data which can be used as a method for constructing robust classifiers. We provide both empirical evaluation as well as some interesting theoretical properties of our objective function such us scale and affine transformation invariance, connections with PCA and bounding of the expected balanced accuracy error.

Wojciech Marian Czarnecki, Jacek Tabor

Most of the existing classification methods are aimed at minimization of empirical risk (through some simple point-based error measured with loss function) with added regularization. We propose to approach this problem in a more information theoretic way by investigating applicability of entropy measures as a classification model objective function. We focus on quadratic Renyi's entropy and connected Cauchy-Schwarz Divergence which leads to the construction of Extreme Entropy Machines (EEM). The main contribution of this paper is proposing a model based on the information theoretic concepts which on the one hand shows new, entropic perspective on known linear classifiers and on the other leads to a construction of very robust method competetitive with the state of the art non-information theoretic ones (including Support Vector Machines and Extreme Learning Machines). Evaluation on numerous problems spanning from small, simple ones from UCI repository to the large (hundreads of thousands of samples) extremely unbalanced (up to 100:1 classes' ratios) datasets shows wide applicability of the EEM in real life problems and that it scales well.

Wojciech Marian Czarnecki, Jacek Tabor

In the classical Gaussian SVM classification we use the feature space projection transforming points to normal distributions with fixed covariance matrices (identity in the standard RBF and the covariance of the whole dataset in Mahalanobis RBF). In this paper we add additional information to Gaussian SVM by considering local geometry-dependent feature space projection. We emphasize that our approach is in fact an algorithm for a construction of the new Gaussian-type kernel. We show that better (compared to standard RBF and Mahalanobis RBF) classification results are obtained in the simple case when the space is preliminary divided by k-means into two sets and points are represented as normal distributions with a covariances calculated according to the dataset partitioning. We call the constructed method C$_k$RBF, where $k$ stands for the amount of clusters used in k-means. We show empirically on nine datasets from UCI repository that C$_2$RBF increases the stability of the grid search (measured as the probability of finding good parameters).

Wojciech Marian Czarnecki, Jacek Tabor

Linear classifiers separate the data with a hyperplane. In this paper we focus on the novel method of construction of multithreshold linear classifier, which separates the data with multiple parallel hyperplanes. Proposed model is based on the information theory concepts -- namely Renyi's quadratic entropy and Cauchy-Schwarz divergence. We begin with some general properties, including data scale invariance. Then we prove that our method is a multithreshold large margin classifier, which shows the analogy to the SVM, while in the same time works with much broader class of hypotheses. What is also interesting, proposed method is aimed at the maximization of the balanced quality measure (such as Matthew's Correlation Coefficient) as opposed to very common maximization of the accuracy. This feature comes directly from the optimization problem statement and is further confirmed by the experiments on the UCI datasets. It appears, that our Multithreshold Entropy Linear Classifier (MELC) obtaines similar or higher scores than the ones given by SVM on both synthetic and real data. We show how proposed approach can be benefitial for the cheminformatics in the task of ligands activity prediction, where despite better classification results, MELC gives some additional insight into the data structure (classes of underrepresented chemical compunds).