arXiv subjects

Haitham Bou Ammar

Publications and source records attributed to Haitham Bou Ammar.

At least 37 records · Page 2Linked to original sources

arXiv2022

Structured Q-learning For Antibody Design

Optimizing combinatorial structures is core to many real-world problems, such as those encountered in life sciences. For example, one of the crucial steps involved in antibody design is to find an arrangement of amino acids in a protein sequence that improves its binding with a pathogen. Combinatorial optimization of antibodies is difficult due to extremely large search spaces and non-linear objectives. Even for modest antibody design problems, where proteins have a sequence length of eleven, we are faced with searching over 2.05 x 10^14 structures. Applying traditional Reinforcement Learning algorithms such as Q-learning to combinatorial optimization results in poor performance. We propose Structured Q-learning (SQL), an extension of Q-learning that incorporates structural priors for combinatorial optimization. Using a molecular docking simulator, we demonstrate that SQL finds high binding energy sequences and performs favourably against baselines on eight challenging antibody design tasks, including designing antibodies for SARS-COV.

cs.LG↗

arXiv2022

Sample-Efficient Optimisation with Probabilistic Transformer Surrogates

Faced with problems of increasing complexity, recent research in Bayesian Optimisation (BO) has focused on adapting deep probabilistic models as flexible alternatives to Gaussian Processes (GPs). In a similar vein, this paper investigates the feasibility of employing state-of-the-art probabilistic transformers in BO. Upon further investigation, we observe two drawbacks stemming from their training procedure and loss definition, hindering their direct deployment as proxies in black-box optimisation. First, we notice that these models are trained on uniformly distributed inputs, which impairs predictive accuracy on non-uniform data - a setting arising from any typical BO loop due to exploration-exploitation trade-offs. Second, we realise that training losses (e.g., cross-entropy) only asymptotically guarantee accurate posterior approximations, i.e., after arriving at the global optimum, which generally cannot be ensured. At the stationary points of the loss function, however, we observe a degradation in predictive performance especially in exploratory regions of the input space. To tackle these shortcomings we introduce two components: 1) a BO-tailored training prior supporting non-uniformly distributed points, and 2) a novel approximate posterior regulariser trading-off accuracy and input sensitivity to filter favourable stationary points for improved predictive performance. In a large panel of experiments, we demonstrate, for the first time, that one transformer pre-trained on data sampled from random GP priors produces competitive results on 16 benchmark black-boxes compared to GP-based BO. Since our model is only pre-trained once and used in all tasks without any retraining and/or fine-tuning, we report an order of magnitude time-reduction, while matching and sometimes outperforming GPs.

cs.LG↗

arXiv2022

HEBO Pushing The Limits of Sample-Efficient Hyperparameter Optimisation

In this work we rigorously analyse assumptions inherent to black-box optimisation hyper-parameter tuning tasks. Our results on the Bayesmark benchmark indicate that heteroscedasticity and non-stationarity pose significant challenges for black-box optimisers. Based on these findings, we propose a Heteroscedastic and Evolutionary Bayesian Optimisation solver (HEBO). HEBO performs non-linear input and output warping, admits exact marginal log-likelihood optimisation and is robust to the values of learned parameters. We demonstrate HEBO's empirical efficacy on the NeurIPS 2020 Black-Box Optimisation challenge, where HEBO placed first. Upon further analysis, we observe that HEBO significantly outperforms existing black-box optimisers on 108 machine learning hyperparameter tuning tasks comprising the Bayesmark benchmark. Our findings indicate that the majority of hyper-parameter tuning tasks exhibit heteroscedasticity and non-stationarity, multi-objective acquisition ensembles with Pareto front solutions improve queried configurations, and robust acquisition maximisers afford empirical advantages relative to their non-robust counterparts. We hope these findings may serve as guiding principles for practitioners of Bayesian optimisation. All code is made available at https://github.com/huawei-noah/HEBO.

cs.LG↗

arXiv2022

Learning Geometric Constraints in Task and Motion Planning

Searching for bindings of geometric parameters in task and motion planning (TAMP) is a finite-horizon stochastic planning problem with high-dimensional decision spaces. A robot manipulator can only move in a subspace of its whole range that is subjected to many geometric constraints. A TAMP solver usually takes many explorations before finding a feasible binding set for each task. It is favorable to learn those constraints once and then transfer them over different tasks within the same workspace. We address this problem by representing constraint knowledge with transferable primitives and using Bayesian optimization (BO) based on these primitives to guide binding search in further tasks. Via semantic and geometric backtracking in TAMP, we construct constraint primitives to encode the geometric constraints respectively in a reusable form. Then we devise a BO approach to efficiently utilize the accumulated constraints for guiding node expansion of an MCTS-based binding planner. We further compose a transfer mechanism to enable free knowledge flow between TAMP tasks. Results indicate that our approach reduces the expensive exploration calls in binding search by 43.60to 71.69 when compared to the baseline unguided planner.

cs.RO↗

arXiv2021

BOiLS: Bayesian Optimisation for Logic Synthesis

Optimising the quality-of-results (QoR) of circuits during logic synthesis is a formidable challenge necessitating the exploration of exponentially sized search spaces. While expert-designed operations aid in uncovering effective sequences, the increase in complexity of logic circuits favours automated procedures. Inspired by the successes of machine learning, researchers adapted deep learning and reinforcement learning to logic synthesis applications. However successful, those techniques suffer from high sample complexities preventing widespread adoption. To enable efficient and scalable solutions, we propose BOiLS, the first algorithm adapting modern Bayesian optimisation to navigate the space of synthesis operations. BOiLS requires no human intervention and effectively trades-off exploration versus exploitation through novel Gaussian process kernels and trust-region constrained acquisitions. In a set of experiments on EPFL benchmarks, we demonstrate BOiLS's superior performance compared to state-of-the-art in terms of both sample efficiency and QoR values.

cs.LG↗

arXiv2021

Viscos Flows: Variational Schur Conditional Sampling With Normalizing Flows

We present a method for conditional sampling for pre-trained normalizing flows when only part of an observation is available. We derive a lower bound to the conditioning variable log-probability using Schur complement properties in the spirit of Gaussian conditional sampling. Our derivation relies on partitioning flow's domain in such a way that the flow restrictions to subdomains remain bijective, which is crucial for the Schur complement application. Simulation from the variational conditional flow then amends to solving an equality constraint. Our contribution is three-fold: a) we provide detailed insights on the choice of variational distributions; b) we discuss how to partition the input space of the flow to preserve bijectivity property; c) we propose a set of methods to optimise the variational distribution. Our numerical results indicate that our sampling method can be successfully applied to invertible residual networks for inference and classification.

stat.ML↗

arXiv2021

Diverse Auto-Curriculum is Critical for Successful Real-World Multiagent Learning Systems

Multiagent reinforcement learning (MARL) has achieved a remarkable amount of success in solving various types of video games. A cornerstone of this success is the auto-curriculum framework, which shapes the learning process by continually creating new challenging tasks for agents to adapt to, thereby facilitating the acquisition of new skills. In order to extend MARL methods to real-world domains outside of video games, we envision in this blue sky paper that maintaining a diversity-aware auto-curriculum is critical for successful MARL applications. Specifically, we argue that \emph{behavioural diversity} is a pivotal, yet under-explored, component for real-world multiagent learning systems, and that significant work remains in understanding how to design a diversity-aware auto-curriculum. We list four open challenges for auto-curriculum techniques, which we believe deserve more attention from this community. Towards validating our vision, we recommend modelling realistic interactive behaviours in autonomous driving as an important test bed, and recommend the SMARTS/ULTRA benchmark.

cs.AI↗

arXiv2020

$α^α$-Rank: Practically Scaling $α$-Rank through Stochastic Optimisation

Recently, $α$-Rank, a graph-based algorithm, has been proposed as a solution to ranking joint policy profiles in large scale multi-agent systems. $α$-Rank claimed tractability through a polynomial time implementation with respect to the total number of pure strategy profiles. Here, we note that inputs to the algorithm were not clearly specified in the original presentation; as such, we deem complexity claims as not grounded, and conjecture solving $α$-Rank is NP-hard. The authors of $α$-Rank suggested that the input to $α$-Rank can be an exponentially-sized payoff matrix; a claim promised to be clarified in subsequent manuscripts. Even though $α$-Rank exhibits a polynomial-time solution with respect to such an input, we further reflect additional critical problems. We demonstrate that due to the need of constructing an exponentially large Markov chain, $α$-Rank is infeasible beyond a small finite number of agents. We ground these claims by adopting amount of dollars spent as a non-refutable evaluation metric. Realising such scalability issue, we present a stochastic implementation of $α$-Rank with a double oracle mechanism allowing for reductions in joint strategy spaces. Our method, $α^α$-Rank, does not need to save exponentially-large transition matrix, and can terminate early under required precision. Although theoretically our method exhibits similar worst-case complexity guarantees compared to $α$-Rank, it allows us, for the first time, to practically conduct large-scale multi-agent evaluations. On $10^4 \times 10^4$ random matrices, we achieve $1000x$ speed reduction. Furthermore, we also show successful results on large joint strategy profiles with a maximum size in the order of $\mathcal{O}(2^{25})$ ($\approx 33$ million joint strategies) -- a setting not evaluable using $α$-Rank with reasonable computational budget.

cs.MA↗

arXiv2019

Learning to Communicate Implicitly By Actions

In situations where explicit communication is limited, human collaborators act by learning to: (i) infer meaning behind their partner's actions, and (ii) convey private information about the state to their partner implicitly through actions. The first component of this learning process has been well-studied in multi-agent systems, whereas the second --- which is equally crucial for successful collaboration --- has not. To mimic both components mentioned above, thereby completing the learning process, we introduce a novel algorithm: Policy Belief Learning (PBL). PBL uses a belief module to model the other agent's private information and a policy module to form a distribution over actions informed by the belief module. Furthermore, to encourage communication by actions, we propose a novel auxiliary reward which incentivizes one agent to help its partner to make correct inferences about its private information. The auxiliary reward for communication is integrated into the learning of the policy module. We evaluate our approach on a set of environments including a matrix game, particle environment and the non-competitive bidding problem from contract bridge. We show empirically that this auxiliary reward is effective and easy to generalize. These results demonstrate that our PBL algorithm can produce strong pairs of agents in collaborative games where explicit communication is disabled.

cs.AI↗

arXiv2019

Derivative-Free & Order-Robust Optimisation

In this paper, we formalise order-robust optimisation as an instance of online learning minimising simple regret, and propose Vroom, a zero'th order optimisation algorithm capable of achieving vanishing regret in non-stationary environments, while recovering favorable rates under stochastic reward-generating processes. Our results are the first to target simple regret definitions in adversarial scenarios unveiling a challenge that has been rarely considered in prior work.

cs.LG↗

arXiv2019

Multi-View Reinforcement Learning

This paper is concerned with multi-view reinforcement learning (MVRL), which allows for decision making when agents share common dynamics but adhere to different observation models. We define the MVRL framework by extending partially observable Markov decision processes (POMDPs) to support more than one observation model and propose two solution methods through observation augmentation and cross-view policy transfer. We empirically evaluate our method and demonstrate its effectiveness in a variety of environments. Specifically, we show reductions in sample complexities and computational time for acquiring policies that handle multi-view environments.

cs.LG↗

arXiv2019

Wasserstein Robust Reinforcement Learning

Reinforcement learning algorithms, though successful, tend to over-fit to training environments hampering their application to the real-world. This paper proposes $\text{W}\text{R}^{2}\text{L}$ -- a robust reinforcement learning algorithm with significant robust performance on low and high-dimensional control tasks. Our method formalises robust reinforcement learning as a novel min-max game with a Wasserstein constraint for a correct and convergent solver. Apart from the formulation, we also propose an efficient and scalable solver following a novel zero-order optimisation method that we believe can be useful to numerical optimisation in general. We empirically demonstrate significant gains compared to standard and robust state-of-the-art algorithms on high-dimensional MuJuCo environments.

cs.LG↗

arXiv2017

Estimating 3D Trajectories from 2D Projections via Disjunctive Factored Four-Way Conditional Restricted Boltzmann Machines

Estimation, recognition, and near-future prediction of 3D trajectories based on their two dimensional projections available from one camera source is an exceptionally difficult problem due to uncertainty in the trajectories and environment, high dimensionality of the specific trajectory states, lack of enough labeled data and so on. In this article, we propose a solution to solve this problem based on a novel deep learning model dubbed Disjunctive Factored Four-Way Conditional Restricted Boltzmann Machine (DFFW-CRBM). Our method improves state-of-the-art deep learning techniques for high dimensional time-series modeling by introducing a novel tensor factorization capable of driving forth order Boltzmann machines to considerably lower energy levels, at no computational costs. DFFW-CRBMs are capable of accurately estimating, recognizing, and performing near-future prediction of three-dimensional trajectories from their 2D projections while requiring limited amount of labeled data. We evaluate our method on both simulated and real-world data, showing its effectiveness in predicting and classifying complex ball trajectories and human activities.

cs.CV↗

arXiv2016

A Distributed Newton Method for Large Scale Consensus Optimization

In this paper, we propose a distributed Newton method for consensus optimization. Our approach outperforms state-of-the-art methods, including ADMM. The key idea is to exploit the sparsity of the dual Hessian and recast the computation of the Newton step as one of efficiently solving symmetric diagonally dominant linear equations. We validate our algorithm both theoretically and empirically. On the theory side, we demonstrate that our algorithm exhibits superlinear convergence within a neighborhood of optimality. Empirically, we show the superiority of this new method on a variety of machine learning problems. The proposed approach is scalable to very large problems and has a low communication overhead.

cs.DC↗

arXiv2016

Theoretically-Grounded Policy Advice from Multiple Teachers in Reinforcement Learning Settings with Applications to Negative Transfer

Policy advice is a transfer learning method where a student agent is able to learn faster via advice from a teacher. However, both this and other reinforcement learning transfer methods have little theoretical analysis. This paper formally defines a setting where multiple teacher agents can provide advice to a student and introduces an algorithm to leverage both autonomous exploration and teacher's advice. Our regret bounds justify the intuition that good teachers help while bad teachers hurt. Using our formalization, we are also able to quantify, for the first time, when negative transfer can occur within such a reinforcement learning setting.

cs.LG↗

arXiv2015

Safe Policy Search for Lifelong Reinforcement Learning with Sublinear Regret

Lifelong reinforcement learning provides a promising framework for developing versatile agents that can accumulate knowledge over a lifetime of experience and rapidly learn new tasks by building upon prior knowledge. However, current lifelong learning methods exhibit non-vanishing regret as the amount of experience increases and include limitations that can lead to suboptimal or unsafe control policies. To address these issues, we develop a lifelong policy gradient learner that operates in an adversarial set- ting to learn multiple tasks online while enforcing safety constraints on the learned policies. We demonstrate, for the first time, sublinear regret for lifelong policy search, and validate our algorithm on several benchmark dynamical systems and an application to quadrotor control.

cs.LG↗

arXiv2015

Fast, Accurate Second Order Methods for Network Optimization

Dual descent methods are commonly used to solve network flow optimization problems, since their implementation can be distributed over the network. These algorithms, however, often exhibit slow convergence rates. Approximate Newton methods which compute descent directions locally have been proposed as alternatives to accelerate the convergence rates of conventional dual descent. The effectiveness of these methods, is limited by the accuracy of such approximations. In this paper, we propose an efficient and accurate distributed second order method for network flow problems. The proposed approach utilizes the sparsity pattern of the dual Hessian to approximate the the Newton direction using a novel distributed solver for symmetric diagonally dominant linear equations. Our solver is based on a distributed implementation of a recent parallel solver of Spielman and Peng (2014). We analyze the properties of the proposed algorithm and show that, similar to conventional Newton methods, superlinear convergence within a neighbor- hood of the optimal value is attained. We finally demonstrate the effectiveness of the approach in a set of experiments on randomly generated networks.

math.OC↗

arXiv2015

A Fast Distributed Solver for Symmetric Diagonally Dominant Linear Equations

In this paper, we propose a fast distributed solver for linear equations given by symmetric diagonally dominant M-Matrices. Our approach is based on a distributed implementation of the parallel solver of Spielman and Peng by considering a specific approximated inverse chain which can be computed efficiently in a distributed fashion. Representing the system of equations by a graph $\mathbb{G}$, the proposed distributed algorithm is capable of attaining $ε$-close solutions (for arbitrary $ε$) in time proportional to $n^{3}$ (number of nodes in $\mathbb{G}$), $α$ (upper bound on the size of the R-Hop neighborhood), and $\frac{{W}_{max}}{{W}_{min}}$ (maximum and minimum weight of edges in $\mathbb{G}$).

cs.DC↗