Andrei Paleyes

Victor Picheny, Joel Berkeley, Henry B. Moss et al. · berkeley

We present Trieste, an open-source Python package for Bayesian optimization and active learning benefiting from the scalability and efficiency of TensorFlow. Our library enables the plug-and-play of popular TensorFlow-based models within sequential decision-making loops, e.g. Gaussian processes from GPflow or GPflux, or neural networks from Keras. This modular mindset is central to the package and extends to our acquisition functions and the internal dynamics of the decision-making loop, both of which can be tailored and extended by researchers or engineers when tackling custom use cases. Trieste is a research-friendly and production-ready toolkit backed by a comprehensive test suite, extensive documentation, and available at https://github.com/secondmind-labs/trieste.

Andrei Paleyes, Siyuan Guo, Bernhard Schölkopf et al. · cambridge

Component-based development is one of the core principles behind modern software engineering practices. Understanding of causal relationships between components of a software system can yield significant benefits to developers. Yet modern software design approaches make it difficult to track and discover such relationships at system scale, which leads to growing intellectual debt. In this paper we consider an alternative approach to software design, flow-based programming (FBP), and draw the attention of the community to the connection between dataflow graphs produced by FBP and structural causal models. With expository examples we show how this connection can be leveraged to improve day-to-day tasks in software projects, including fault localisation, business analysis and experimentation.

Christian Cabrera, Andrei Paleyes, Pierre Thodoroff et al. · cambridge

Engineers are deploying ML models as parts of real-world systems with the upsurge of AI technologies. Real-world environments challenge the deployment of such systems because these environments produce large amounts of heterogeneous data, and users require increasingly efficient responses. These requirements push prevalent software architectures to the limit when deploying ML-based systems. Data-oriented Architecture (DOA) is an emerging style that equips systems better for integrating ML models. Even though papers on deployed ML systems do not mention DOA, their authors made design decisions that implicitly follow DOA. Implicit decisions create a knowledge gap, limiting the practitioners' ability to implement ML-based systems. \hlb{This paper surveys why, how, and to what extent practitioners have adopted DOA to implement and deploy ML-based systems.} We overcome the knowledge gap by answering these questions and explicitly showing the design decisions and practices behind these systems. The survey follows a well-known systematic and semi-automated methodology for reviewing papers in software engineering. The majority of reviewed works partially adopt DOA. Such an adoption enables systems to address requirements such as Big Data management, low latency processing, resource management, security and privacy. Based on these findings, we formulate practical advice to facilitate the deployment of ML-based systems.

Andrei Paleyes, Christian Cabrera, Neil D. Lawrence · cambridge

As use of data driven technologies spreads, software engineers are more often faced with the task of solving a business problem using data-driven methods such as machine learning (ML) algorithms. Deployment of ML within large software systems brings new challenges that are not addressed by standard engineering practices and as a result businesses observe high rate of ML deployment project failures. Data Oriented Architecture (DOA) is an emerging approach that can support data scientists and software developers when addressing such challenges. However, there is a lack of clarity about how DOA systems should be implemented in practice. This paper proposes to consider Flow-Based Programming (FBP) as a paradigm for creating DOA applications. We empirically evaluate FBP in the context of ML deployment on four applications that represent typical data science projects. We use Service Oriented Architecture (SOA) as a baseline for comparison. Evaluation is done with respect to different application domains, ML deployment stages, and code quality metrics. Results reveal that FBP is a suitable paradigm for data collection and data science tasks, and is able to simplify data collection and discovery when compared with SOA. We discuss the advantages of FBP as well as the gaps that need to be addressed to increase FBP adoption as a standard design paradigm for DOA.

Andrei Paleyes, Neil D. Lawrence · cambridge

Dataflow computing was shown to bring significant benefits to multiple niches of systems engineering and has the potential to become a general-purpose paradigm of choice for data-driven application development. One of the characteristic features of dataflow computing is the natural access to the dataflow graph of the entire system. Recently it has been observed that these dataflow graphs can be treated as complete graphical causal models, opening opportunities to apply causal inference techniques to dataflow systems. In this demonstration paper we aim to provide the first practical validation of this idea with a particular focus on causal fault localisation. We provide multiple demonstrations of how causal inference can be used to detect software bugs and data shifts in multiple scenarios with three modern dataflow engines.

Andrei Paleyes, Henry B. Moss, Victor Picheny et al.

We present HIghly Parallelisable Pareto Optimisation (HIPPO) -- a batch acquisition function that enables multi-objective Bayesian optimisation methods to efficiently exploit parallel processing resources. Multi-Objective Bayesian Optimisation (MOBO) is a very efficient tool for tackling expensive black-box problems. However, most MOBO algorithms are designed as purely sequential strategies, and existing batch approaches are prohibitively expensive for all but the smallest of batch sizes. We show that by encouraging batch diversity through penalising evaluations with similar predicted objective values, HIPPO is able to cheaply build large batches of informative points. Our extensive experimental validation demonstrates that HIPPO is at least as efficient as existing alternatives whilst incurring an order of magnitude lower computational overhead and scaling easily to batch sizes considerably higher than currently supported in the literature. Additionally, we demonstrate the application of HIPPO to a challenging heat exchanger design problem, stressing the real-world utility of our highly parallelisable approach to MOBO.

Sherif Akoush, Andrei Paleyes, Arnaud Van Looveren et al.

Inference is a significant part of ML software infrastructure. Despite the variety of inference frameworks available, the field as a whole can be considered in its early days. This position paper puts forth a range of important qualities that next generation of inference platforms should be aiming for. We present our rationale for the importance of each quality, and discuss ways to achieve it in practice. We propose to focus on data-centricity as the overarching design pattern which enables smarter ML system deployment and operation at scale.

Andrin Rehmann, Nolan Black, Josiah Bjorgaard et al.

Gradient-based optimization of engineering designs is limited by non-differentiable components in the typical computer-aided engineering (CAE) workflow, which calculates performance metrics from design parameters. While gradient-based methods could provide noticeable speed-ups in high-dimensional design spaces, codes for meshing, physical simulations, and other common components are not differentiable even if the math or physics underneath them is. We propose replacing non-differentiable pipeline components with surrogate models which are inherently differentiable. Using a toy example of aerodynamic shape optimization, we demonstrate an end-to-end differentiable pipeline where a 3D U-Net full-field surrogate replaces both meshing and simulation steps by training it on the mapping between the signed distance field (SDF) of the shape and the fields of interest. This approach enables gradient-based shape optimization without the need for differentiable solvers, which can be useful in situations where adjoint methods are unavailable and/or hard to implement.

Bogdan Ficiu, Neil D. Lawrence, Andrei Paleyes

Machine learning models are deployed as a central component in decision making and policy operations with direct impact on individuals' lives. In order to act ethically and comply with government regulations, these models need to make fair decisions and protect the users' privacy. However, such requirements can come with decrease in models' performance compared to their potentially biased, privacy-leaking counterparts. Thus the trade-off between fairness, privacy and performance of ML models emerges, and practitioners need a way of quantifying this trade-off to enable deployment decisions. In this work we interpret this trade-off as a multi-objective optimization problem, and propose PFairDP, a pipeline that uses Bayesian optimization for discovery of Pareto-optimal points between fairness, privacy and utility of ML models. We show how PFairDP can be used to replicate known results that were achieved through manual constraint setting process. We further demonstrate effectiveness of PFairDP with experiments on multiple models and datasets.

Andrei Paleyes, Radzim Sendyka, Diana Robinson et al.

Code generation is one of the most active areas of application of Large Language Models (LLMs). While LLMs lower barriers to writing code and accelerate development process, the overall quality of generated programs depends on the quality of given prompts. Specifically, functionality and quality of generated code can be sensitive to user's background and familiarity with software development. It is therefore important to quantify LLM's sensitivity to variations in the input. To this end we propose a synthetic evaluation pipeline for code generation with LLMs, as well as a systematic persona-based evaluation approach to expose qualitative differences of LLM responses dependent on prospective user background. Both proposed methods are completely independent from specific programming tasks and LLMs, and thus are widely applicable. We provide experimental evidence illustrating utility of our methods and share our code for the benefit of the community.

Radzim Sendyka, Christian Cabrera, Andrei Paleyes et al.

This paper investigates the ability of large language models (LLMs) to recognise and solve tasks which have been obfuscated beyond recognition. Focusing on competitive programming and benchmark tasks (LeetCode and MATH), we compare performance across multiple models and obfuscation methods, such as noise and redaction. We demonstrate that all evaluated LLMs can solve tasks obfuscated to a level where the text would be unintelligible to human readers, and does not contain key pieces of instruction or context. We introduce the concept of eager pattern matching to describe this behaviour, which is not observed in tasks published after the models' knowledge cutoff date, indicating strong memorisation or overfitting to training data, rather than legitimate reasoning about the presented problem. We report empirical evidence of distinct performance decay patterns between contaminated and unseen datasets. We discuss the implications for benchmarking and evaluations of model behaviour, arguing for caution when designing experiments using standard datasets. We also propose measuring the decay of performance under obfuscation as a possible strategy for detecting dataset contamination and highlighting potential safety risks and interpretability issues for automated software systems.

Emile Dos Santos Ferreira, Neil D. Lawrence, Andrei Paleyes

The ubiquity of machine learning (ML) and the demand for ever-larger models bring an increase in energy consumption and environmental impact. However, little is known about the energy scaling laws in ML, and existing research focuses on training cost -- ignoring the larger cost of inference. Furthermore, tools for measuring the energy consumption of ML do not provide actionable feedback. To address these gaps, we developed Energy Consumption Optimiser (ECOpt): a hyperparameter tuner that optimises for energy efficiency and model performance. ECOpt quantifies the trade-off between these metrics as an interpretable Pareto frontier. This enables ML practitioners to make informed decisions about energy cost and environmental impact, while maximising the benefit of their models and complying with new regulations. Using ECOpt, we show that parameter and floating-point operation counts can be unreliable proxies for energy consumption, and observe that the energy efficiency of Transformer models for text generation is relatively consistent across hardware. These findings motivate measuring and publishing the energy metrics of ML models. We further show that ECOpt can have a net positive environmental impact and use it to uncover seven models for CIFAR-10 that improve upon the state of the art, when considering accuracy and energy efficiency together.

Christian Cabrera, Andrei Paleyes, Neil D. Lawrence

Software systems impact society at different levels as they pervasively solve real-world problems. Modern software systems are often so sophisticated that their complexity exceeds the limits of human comprehension. These systems must respond to changing goals, dynamic data, unexpected failures, and security threats, among other variable factors in real-world environments. Systems' complexity challenges their interpretability and requires autonomous responses to dynamic changes. Two main research areas explore autonomous systems' responses: evolutionary computing and autonomic computing. Evolutionary computing focuses on software improvement based on iterative modifications to the source code. Autonomic computing focuses on optimising systems' performance by changing their structure, behaviour, or environment variables. Approaches from both areas rely on feedback loops that accumulate knowledge from the system interactions to inform autonomous decision-making. However, this knowledge is often limited, constraining the systems' interpretability and adaptability. This paper proposes a new concept for interpretable and adaptable software systems: self-sustaining software systems (S4). S4 builds knowledge loops between all available knowledge sources that define modern software systems to improve their interpretability and adaptability. This paper introduces and discusses the S4 concept.

Andrei Paleyes, Mark Pullin, Maren Mahsereci et al.

Decision making in uncertain scenarios is an ubiquitous challenge in real world systems. Tools to deal with this challenge include simulations to gather information and statistical emulation to quantify uncertainty. The machine learning community has developed a number of methods to facilitate decision making, but so far they are scattered in multiple different toolkits, and generally rely on a fixed backend. In this paper, we present Emukit, a highly adaptable Python toolkit for enriching decision making under uncertainty. Emukit allows users to: (i) use state of the art methods including Bayesian optimization, multi-fidelity emulation, experimental design, Bayesian quadrature and sensitivity analysis; (ii) easily prototype new decision making methods for new problems. Emukit is agnostic to the underlying modeling framework and enables users to use their own custom models. We show how Emukit can be used on three exemplary case studies.

Andrei Paleyes, Christian Cabrera, Neil D. Lawrence

Despite huge successes reported by the field of machine learning, such as voice assistants or self-driving cars, businesses still observe very high failure rate when it comes to deployment of ML in production. We argue that part of the reason is infrastructure that was not designed for data-oriented activities. This paper explores the potential of flow-based programming (FBP) for simplifying data discovery and collection in software systems. We compare FBP with the currently prevalent service-oriented paradigm to assess characteristics of each paradigm in the context of ML deployment. We develop a data processing application, formulate a subsequent ML deployment task, and measure the impact of the task implementation within both programming paradigms. Our main conclusion is that FBP shows great potential for providing data-centric infrastructural benefits for deployment of ML. Additionally, we provide an insight into the current trend that prioritizes model development over data quality management.

Eero Siivola, Javier Gonzalez, Andrei Paleyes et al.

The increasing availability of structured but high dimensional data has opened new opportunities for optimization. One emerging and promising avenue is the exploration of unsupervised methods for projecting structured high dimensional data into low dimensional continuous representations, simplifying the optimization problem and enabling the application of traditional optimization methods. However, this line of research has been purely methodological with little connection to the needs of practitioners so far. In this paper, we study the effect of different search space design choices for performing Bayesian Optimization in high dimensional structured datasets. In particular, we analyse the influence of the dimensionality of the latent space, the role of the acquisition function and evaluate new methods to automatically define the optimization bounds in the latent space. Finally, based on experimental results using synthetic and real datasets, we provide recommendations for the practitioners.

Andrei Paleyes, Raoul-Gabriel Urma, Neil D. Lawrence

In recent years, machine learning has transitioned from a field of academic research interest to a field capable of solving real-world business problems. However, the deployment of machine learning models in production systems can present a number of issues and concerns. This survey reviews published reports of deploying machine learning solutions in a variety of use cases, industries and applications and extracts practical considerations corresponding to stages of the machine learning deployment workflow. By mapping found challenges to the steps of the machine learning deployment workflow we show that practitioners face issues at each stage of the deployment process. The goal of this paper is to lay out a research agenda to explore approaches addressing these challenges.

Virginia Aglietti, Xiaoyu Lu, Andrei Paleyes et al.

This paper studies the problem of globally optimizing a variable of interest that is part of a causal model in which a sequence of interventions can be performed. This problem arises in biology, operational research, communications and, more generally, in all fields where the goal is to optimize an output metric of a system of interconnected nodes. Our approach combines ideas from causal inference, uncertainty quantification and sequential decision making. In particular, it generalizes Bayesian optimization, which treats the input variables of the objective function as independent, to scenarios where causal information is available. We show how knowing the causal graph significantly improves the ability to reason about optimal decision making strategies decreasing the optimization cost while avoiding suboptimal solutions. We propose a new algorithm called Causal Bayesian Optimization (CBO). CBO automatically balances two trade-offs: the classical exploration-exploitation and the new observation-intervention, which emerges when combining real interventional data with the estimated intervention effects computed via do-calculus. We demonstrate the practical benefits of this method in a synthetic setting and in two real-world applications.

Brendan Avent, Javier Gonzalez, Tom Diethe et al.

Differential privacy is a mathematical framework for privacy-preserving data analysis. Changing the hyperparameters of a differentially private algorithm allows one to trade off privacy and utility in a principled way. Quantifying this trade-off in advance is essential to decision-makers tasked with deciding how much privacy can be provided in a particular application while maintaining acceptable utility. Analytical utility guarantees offer a rigorous tool to reason about this trade-off, but are generally only available for relatively simple problems. For more complex tasks, such as training neural networks under differential privacy, the utility achieved by a given algorithm can only be measured empirically. This paper presents a Bayesian optimization methodology for efficiently characterizing the privacy--utility trade-off of any differentially private algorithm using only empirical measurements of its utility. The versatility of our method is illustrated on a number of machine learning tasks involving multiple models, optimizers, and datasets.