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Hyperparameter Optimization in Machine Learning

arXiv.org Machine Learning

Hyperparameters are configuration variables controlling the behavior of machine learning algorithms. They are ubiquitous in machine learning and artificial intelligence and the choice of their values determine the effectiveness of systems based on these technologies. Manual hyperparameter search is often unsatisfactory and becomes unfeasible when the number of hyperparameters is large. Automating the search is an important step towards automating machine learning, freeing researchers and practitioners alike from the burden of finding a good set of hyperparameters by trial and error. In this survey, we present a unified treatment of hyperparameter optimization, providing the reader with examples and insights into the state-of-the-art. We cover the main families of techniques to automate hyperparameter search, often referred to as hyperparameter optimization or tuning, including random and quasi-random search, bandit-, model- and gradient- based approaches. We further discuss extensions, including online, constrained, and multi-objective formulations, touch upon connections with other fields such as meta-learning and neural architecture search, and conclude with open questions and future research directions.


An Overtaking Trajectory Planning Framework Based on Spatio-temporal Topology and Reachable Set Analysis Ensuring Time Efficiency

arXiv.org Artificial Intelligence

Generating overtaking trajectories in high-speed scenarios presents significant challenges and is typically addressed through hierarchical planning methods. However, this method has two primary drawbacks. First, heuristic algorithms can only provide a single initial solution, which may lead to local optima and consequently diminish the quality of the solution. Second, the time efficiency of trajectory refinement based on numerical optimization is insufficient. To overcome these limitations, this paper proposes an overtaking trajectory planning framework based on spatio-temporal topology and reachable set analysis (SROP), to improve trajectory quality and time efficiency. Specifically, this paper introduces topological classes to describe trajectories representing different overtaking behaviors, which support the spatio-temporal topological search method employed by the upper-layer planner to identify diverse initial paths. This approach helps prevent getting stuck in local optima, enhancing the overall solution quality by considering multiple initial solutions from distinct topologies. Moreover, the reachable set method is integrated into the lower-layer planner for parallel trajectory evaluation. This method enhances planning efficiency by decoupling vehicle model constraints from the optimization process, enabling parallel computation while ensuring control feasibility. Simulation results show that the proposed method improves the smoothness of generated trajectories by 66.8% compared to state-of-the-art methods, highlighting its effectiveness in enhancing trajectory quality. Additionally, this method reduces computation time by 62.9%, demonstrating its efficiency.


TreeBoN: Enhancing Inference-Time Alignment with Speculative Tree-Search and Best-of-N Sampling

arXiv.org Artificial Intelligence

Inference-time alignment enhances the performance of large language models without requiring additional training or fine-tuning but presents challenges due to balancing computational efficiency with high-quality output. Best-of-N (BoN) sampling, as a simple yet powerful approach, generates multiple responses and selects the best one, achieving improved performance but with a high computational cost. We propose TreeBoN, a novel framework that integrates a speculative tree-search strategy into Best-of-N (BoN) Sampling. TreeBoN maintains a set of parent nodes, iteratively branching and pruning low-quality responses, thereby reducing computational overhead while maintaining high output quality. Our approach also leverages token-level rewards from Direct Preference Optimization (DPO) to guide tree expansion and prune low-quality paths. We evaluate TreeBoN using AlpacaFarm, HH-RLHF, UltraFeedback, GSM8K, and TutorEval datasets, demonstrating consistent improvements. Specifically, TreeBoN achieves the highest win rate of 65% on TutorEval and around 60% win rates across other different datasets, outperforming standard BoN with the same computational cost and showcasing its scalability and alignment efficacy.


Shuffling Gradient-Based Methods for Nonconvex-Concave Minimax Optimization

arXiv.org Machine Learning

This paper aims at developing novel shuffling gradient-based methods for tackling two classes of minimax problems: nonconvex-linear and nonconvex-strongly concave settings. The first algorithm addresses the nonconvex-linear minimax model and achieves the state-of-the-art oracle complexity typically observed in nonconvex optimization. It also employs a new shuffling estimator for the "hyper-gradient", departing from standard shuffling techniques in optimization. The second method consists of two variants: semi-shuffling and full-shuffling schemes. These variants tackle the nonconvex-strongly concave minimax setting. We establish their oracle complexity bounds under standard assumptions, which, to our best knowledge, are the best-known for this specific setting. Numerical examples demonstrate the performance of our algorithms and compare them with two other methods. Our results show that the new methods achieve comparable performance with SGD, supporting the potential of incorporating shuffling strategies into minimax algorithms.


Deploying Ten Thousand Robots: Scalable Imitation Learning for Lifelong Multi-Agent Path Finding

arXiv.org Artificial Intelligence

Abstract-- Lifelong Multi-Agent Path Finding (LMAPF) is a variant of MAPF where agents are continually assigned new goals, necessitating frequent re-planning to accommodate these dynamic changes. Recently, this field has embraced learning-based methods, which reactively generate single-step actions based on individual local observations. However, it is still challenging for them to match the performance of the best search-based algorithms, especially in large-scale settings. This work proposes an imitation-learning-based LMAPF solver that introduces a novel communication module and systematic single-step collision resolution and global guidance techniques. Details are given in Table III. However, most learning-based solvers have only been tested on small-scale instances involving tens I. Multi-Agent Path Finding (MAPF) [1] is the problem of Additionally, most learning papers emphasize the scalability finding collision-free paths on a given graph for a set of of their solvers compared to optimal or boundedsuboptimal agents, each assigned a start and goal location. This is largely because these search-based new goals to agents that reach their current ones. The main solvers struggle with computational complexity, as solving target of LMAPF is to maximize the throughput, which MAPF optimally is NP-hard.


Towards Trustworthy Machine Learning in Production: An Overview of the Robustness in MLOps Approach

arXiv.org Artificial Intelligence

Artificial intelligence (AI), and especially its sub-field of Machine Learning (ML), are impacting the daily lives of everyone with their ubiquitous applications. In recent years, AI researchers and practitioners have introduced principles and guidelines to build systems that make reliable and trustworthy decisions. From a practical perspective, conventional ML systems process historical data to extract the features that are consequently used to train ML models that perform the desired task. However, in practice, a fundamental challenge arises when the system needs to be operationalized and deployed to evolve and operate in real-life environments continuously. To address this challenge, Machine Learning Operations (MLOps) have emerged as a potential recipe for standardizing ML solutions in deployment. Although MLOps demonstrated great success in streamlining ML processes, thoroughly defining the specifications of robust MLOps approaches remains of great interest to researchers and practitioners. In this paper, we provide a comprehensive overview of the trustworthiness property of MLOps systems. Specifically, we highlight technical practices to achieve robust MLOps systems. In addition, we survey the existing research approaches that address the robustness aspects of ML systems in production. We also review the tools and software available to build MLOps systems and summarize their support to handle the robustness aspects. Finally, we present the open challenges and propose possible future directions and opportunities within this emerging field. The aim of this paper is to provide researchers and practitioners working on practical AI applications with a comprehensive view to adopt robust ML solutions in production environments.


Learning to Handle Complex Constraints for Vehicle Routing Problems

arXiv.org Artificial Intelligence

Vehicle Routing Problems (VRPs) can model many real-world scenarios and often involve complex constraints. While recent neural methods excel in constructing solutions based on feasibility masking, they struggle with handling complex constraints, especially when obtaining the masking itself is NP-hard. In this paper, we propose a novel Proactive Infeasibility Prevention (PIP) framework to advance the capabilities of neural methods towards more complex VRPs. Our PIP integrates the Lagrangian multiplier as a basis to enhance constraint awareness and introduces preventative infeasibility masking to proactively steer the solution construction process. Moreover, we present PIP-D, which employs an auxiliary decoder and two adaptive strategies to learn and predict these tailored masks, potentially enhancing performance while significantly reducing computational costs during training. To verify our PIP designs, we conduct extensive experiments on the highly challenging Traveling Salesman Problem with Time Window (TSPTW), and TSP with Draft Limit (TSPDL) variants under different constraint hardness levels. Notably, our PIP is generic to boost many neural methods, and exhibits both a significant reduction in infeasible rate and a substantial improvement in solution quality.


Asteroid Mining: ACT&Friends' Results for the GTOC 12 Problem

arXiv.org Artificial Intelligence

Global Trajectory Optimization Competitions (GTOC) [1] represent a biennial cornerstone event within the international aerospace community, dedicated to addressing the intricacies of interplanetary trajectory optimization. The 12th edition of this well established competition, held in June-July 2023, proposed a challenging design of a "sustainable asteroid mining" mission. The problem demanded the concurrent extraction of resources from a set A of 60,000 target asteroids, to be accomplished during a fixed 15 years wide window (from 2035-Jan-01 to 2050-Jan-01) by multiple spacecraft. The participating spacecraft, dispatched from Earth and possibly flying by Venus and Mars, had to be meticulously designed to maximize the quantity of mined material returned to our home planet. A comprehensive exposition of the mathematical intricacies underpinning the problem definition can be found in [2], while in this paper we will primarily provide essential definitions and selectively reference these mathematical foundations. For the purpose of clarity, we shall employ the term'ship' interchangeably with'spacecraft.' In the context of the multi-spacecraft asteroid mining mission presented in GTOC12, each ship possesses the capability to deploy a specified number of mining devices onto the asteroids' surface. Furthermore, these ships have the capacity to collect mined resources if a mining device is already in place on the visited asteroid. Importantly, each ship is not confined to gathering material exclusively from asteroids where it initially deposited a miner; it can collect resources from asteroids where miners were deployed by other ships.


Dynamics as Prompts: In-Context Learning for Sim-to-Real System Identifications

arXiv.org Artificial Intelligence

Sim-to-real transfer remains a significant challenge in robotics due to the discrepancies between simulated and real-world dynamics. Traditional methods like Domain Randomization often fail to capture fine-grained dynamics, limiting their effectiveness for precise control tasks. In this work, we propose a novel approach that dynamically adjusts simulation environment parameters online using in-context learning. By leveraging past interaction histories as context, our method adapts the simulation environment dynamics to real-world dynamics without requiring gradient updates, resulting in faster and more accurate alignment between simulated and real-world performance. We validate our approach across two tasks: object scooping and table air hockey. In the sim-to-sim evaluations, our method significantly outperforms the baselines on environment parameter estimation by 80% and 42% in the object scooping and table air hockey setups, respectively. Furthermore, our method achieves at least 70% success rate in sim-to-real transfer on object scooping across three different objects. By incorporating historical interaction data, our approach delivers efficient and smooth system identification, advancing the deployment of robots in dynamic real-world scenarios. Demos are available on our project page: https://sim2real-capture.github.io/


LLM Tree Search

arXiv.org Artificial Intelligence

This project aims to investigate a novel sequence generation method inspired by the AlphaGo paradigm, adapting it for use with large language models (LLMs). The proposed approach involves creating search trees of different possible completions and evaluating these completions based on model confidence. By considering various paths in the search tree and scoring them according to the model's confidence in each completion, we can generate diverse and high-quality sequences. This research explores the implementation of this paradigm by using confidence as a proxy for response quality akin to beam search \citep{vijayakumar2016diverse}. The primary goal of this paper is to outline the paradigm and demonstrate its potential, rather than focusing on achieving perfect results. The paper will outline the reasons why we believe this paradigm has the potential to improve LLMs in the following manners: 1) increase output quality, 2) decrease errors, 3) eliminate or reduce the compound error problems, 4) generate diverse and creative completions, 5) allow for iterative problem-solving, and 6) self-training. We expect this approach to yield a set of diverse and coherent sequences, offering insights into balancing exploration and exploitation in sequence generation. Potential applications include creative text generation tasks, such as storytelling and content creation, as well as other natural language processing domains, like machine translation and automated summarization. The goal is that the model will be far more effective as it will be able to consider many possible variations allowing it to find the ideal completion. This research aims to contribute to the understanding of effective search strategies in sequence generation and their impact on generating high-quality, varied textual outputs.