The large volume and complexity of medical imaging datasets are bottlenecks for storage, transmission, and processing. To tackle these challenges, the application of low-rank matrix approximation (LRMA) and its derivative, local LRMA (LLRMA) has demonstrated potential. A detailed analysis of the literature identifies LRMA and LLRMA methods applied to various imaging modalities, and the challenges and limitations associated with existing LRMA and LLRMA methods are addressed. We note a significant shift towards a preference for LLRMA in the medical imaging field since 2015, demonstrating its potential and effectiveness in capturing complex structures in medical data compared to LRMA. Acknowledging the limitations of shallow similarity methods used with LLRMA, we suggest advanced semantic image segmentation for similarity measure, explaining in detail how it can be used to measure similar patches and its feasibility. We note that LRMA and LLRMA are mainly applied to unstructured medical data, and we propose extending their application to different medical data types, including structured and semi-structured. This paper also discusses how LRMA and LLRMA can be applied to regular data with missing entries and the impact of inaccuracies in predicting missing values and their effects. We discuss the impact of patch size and propose the use of random search (RS) to determine the optimal patch size. To enhance feasibility, a hybrid approach using Bayesian optimization and RS is proposed, which could improve the application of LRMA and LLRMA in medical imaging.

In recent advancements within the domain of Large Language Models (LLMs), there has been a notable emergence of agents capable of addressing Robotic Process Automation (RPA) challenges through enhanced cognitive capabilities and sophisticated reasoning. This development heralds a new era of scalability and human-like adaptability in goal attainment. In this context, we introduce AUTONODE (Autonomous User-interface Transformation through Online Neuro-graphic Operations and Deep Exploration). AUTONODE employs advanced neuro-graphical techniques to facilitate autonomous navigation and task execution on web interfaces, thereby obviating the necessity for predefined scripts or manual intervention. Our engine empowers agents to comprehend and implement complex workflows, adapting to dynamic web environments with unparalleled efficiency. Our methodology synergizes cognitive functionalities with robotic automation, endowing AUTONODE with the ability to learn from experience. We have integrated an exploratory module, DoRA (Discovery and mapping Operation for graph Retrieval Agent), which is instrumental in constructing a knowledge graph that the engine utilizes to optimize its actions and achieve objectives with minimal supervision. The versatility and efficacy of AUTONODE are demonstrated through a series of experiments, highlighting its proficiency in managing a diverse array of web-based tasks, ranging from data extraction to transaction processing.

Neuro-symbolic learning (NSL) models complex symbolic rule patterns into latent variable distributions by neural networks, which reduces rule search space and generates unseen rules to improve downstream task performance. Centralized NSL learning involves directly acquiring data from downstream tasks, which is not feasible for federated learning (FL). To address this limitation, we shift the focus from such a one-to-one interactive neuro-symbolic paradigm to one-to-many Federated Neuro-Symbolic Learning framework (FedNSL) with latent variables as the FL communication medium. Built on the basis of our novel reformulation of the NSL theory, FedNSL is capable of identifying and addressing rule distribution heterogeneity through a simple and effective Kullback-Leibler (KL) divergence constraint on rule distribution applicable under the FL setting. It further theoretically adjusts variational expectation maximization (V-EM) to reduce the rule search space across domains. This is the first incorporation of distribution-coupled bilevel optimization into FL. Extensive experiments based on both synthetic and real-world data demonstrate significant advantages of FedNSL compared to five state-of-the-art methods. It outperforms the best baseline by 17% and 29% in terms of unbalanced average training accuracy and unseen average testing accuracy, respectively.

Dataset condensation can be used to reduce the computational cost of training multiple models on a large dataset by condensing the training dataset into a small synthetic set. State-of-the-art approaches rely on matching the model gradients between the real and synthetic data. However, there is no theoretical guarantee of the generalizability of the condensed data: data condensation often generalizes poorly across hyperparameters/architectures in practice. This paper considers a different condensation objective specifically geared toward hyperparameter search. We aim to generate a synthetic validation dataset so that the validation-performance rankings of the models, with different hyperparameters, on the condensed and original datasets are comparable. We propose a novel hyperparameter-calibrated dataset condensation (HCDC) algorithm, which obtains the synthetic validation dataset by matching the hyperparameter gradients computed via implicit differentiation and efficient inverse Hessian approximation. Experiments demonstrate that the proposed framework effectively maintains the validation-performance rankings of models and speeds up hyperparameter/architecture search for tasks on both images and graphs.

The objective of this Philosophiae Doctor (Ph.D) thesis is to propose an efficient approach for optimizing a multidisciplinary black-box model when the optimization problem is constrained and involves a large number of mixed integer design variables (typically 100 variables). The targeted optimization approach, called EGO, is based on a sequential enrichment of an adaptive surrogate model and, in this context, GP surrogate models are one of the most widely used in engineering problems to approximate time-consuming high fidelity models. EGO is a heuristic BO method that performs well in terms of solution quality. However, like any other global optimization method, EGO suffers from the curse of dimensionality, meaning that its performance is satisfactory on lower dimensional problems, but deteriorates as the dimensionality of the optimization search space increases. For realistic aircraft design problems, the typical size of the design variables can even exceed 100 and, thus, trying to solve directly the problems using EGO is ruled out. The latter is especially true when the problems involve both continuous and categorical variables increasing even more the size of the search space. In this Ph.D thesis, effective parameterization tools are investigated, including techniques like partial least squares regression, to significantly reduce the number of design variables. Additionally, Bayesian optimization is adapted to handle discrete variables and high-dimensional spaces in order to reduce the number of evaluations when optimizing innovative aircraft concepts such as the "DRAGON" hybrid airplane to reduce their climate impact.

Programmatic reinforcement learning (PRL) has been explored for representing policies through programs as a means to achieve interpretability and generalization. Despite promising outcomes, current state-of-the-art PRL methods are hindered by sample inefficiency, necessitating tens of millions of program-environment interactions. To tackle this challenge, we introduce a novel LLM-guided search framework (LLM-GS). Our key insight is to leverage the programming expertise and common sense reasoning of LLMs to enhance the efficiency of assumption-free, random-guessing search methods. We address the challenge of LLMs' inability to generate precise and grammatically correct programs in domain-specific languages (DSLs) by proposing a Pythonic-DSL strategy - an LLM is instructed to initially generate Python codes and then convert them into DSL programs. To further optimize the LLM-generated programs, we develop a search algorithm named Scheduled Hill Climbing, designed to efficiently explore the programmatic search space to consistently improve the programs. Experimental results in the Karel domain demonstrate the superior effectiveness and efficiency of our LLM-GS framework. Extensive ablation studies further verify the critical role of our Pythonic-DSL strategy and Scheduled Hill Climbing algorithm.

A major challenge in decision making domains with large state spaces is to effectively select actions which maximize utility. In recent years, approaches such as reinforcement learning (RL) and search algorithms have been successful to tackle this issue, despite their differences. RL defines a learning framework that an agent explores and interacts with. Search algorithms provide a formalism to search for a solution. However, it is often difficult to evaluate the performances of such approaches in a practical way. Motivated by this problem, we focus on one game domain, i.e., Connect-4, and develop a novel evolutionary framework to evaluate three classes of algorithms: RL, Minimax and Monte Carlo tree search (MCTS). The contribution of this paper is threefold: i) we implement advanced versions of these algorithms and provide a systematic comparison with their standard counterpart, ii) we develop a novel evaluation framework, which we call the Evolutionary Tournament, and iii) we conduct an extensive evaluation of the relative performance of each algorithm to compare our findings. We evaluate different metrics and show that MCTS achieves the best results in terms of win percentage, whereas Minimax and Q-Learning are ranked in second and third place, respectively, although the latter is shown to be the fastest to make a decision.

Neural Architecture Search (NAS) has been widely adopted to design neural networks for various computer vision tasks. One of its most promising subdomains is differentiable NAS (DNAS), where the optimal architecture is found in a differentiable manner. However, gradient-based methods suffer from the discretization error, which can severely damage the process of obtaining the final architecture. In our work, we first study the risk of discretization error and show how it affects an unregularized supernet. Then, we present that penalizing high entropy, a common technique of architecture regularization, can hinder the supernet's performance. Therefore, to robustify the DNAS framework, we introduce a novel single-stage searching protocol, which is not reliant on decoding a continuous architecture. Our results demonstrate that this approach outperforms other DNAS methods by achieving 75.3% in the searching stage on the Cityscapes validation dataset and attains performance 1.1% higher than the optimal network of DCNAS on the non-dense search space comprising short connections. The entire training process takes only 5.5 GPU days due to the weight reuse, and yields a computationally efficient architecture. Additionally, we propose a new dataset split procedure, which substantially improves results and prevents architecture degeneration in DARTS.

We give a model-based agent that builds a Python program representing its knowledge of the world based on its interactions with the environment. The world model tries to explain its interactions, while also being optimistic about what reward it can achieve. We define this optimism as a logical constraint between a program and a planner. We study our agent on gridworlds, and on task planning, finding our approach is more sample-efficient compared to deep RL, more compute-efficient compared to ReAct-style agents, and that it can transfer its knowledge across environments by editing its code.

Retrosynthesis is a fundamental but challenging task in organic chemistry, with broad applications in fields such as drug design and synthesis. Given a target molecule, the goal of retrosynthesis is to find out a series of reactions which could be assembled into a synthetic route which starts from purchasable molecules and ends at the target molecule. The uncertainty of reactions used in retrosynthetic planning, which is caused by hallucinations of backward models, has recently been noticed. In this paper we propose a succinct probabilistic model to describe such uncertainty. Based on the model, we propose a new retrosynthesis planning algorithm called retro-prob to maximize the successful synthesis probability of target molecules, which acquires high efficiency by utilizing the chain rule of derivatives. Experiments on the Paroutes benchmark show that retro-prob outperforms previous algorithms, retro* and retro-fallback, both in speed and in the quality of synthesis plans.