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A Guide to Bayesian Optimization in Bioprocess Engineering

arXiv.org Machine Learning

Bayesian optimization has become widely popular across various experimental sciences due to its favorable attributes: it can handle noisy data, perform well with relatively small datasets, and provide adaptive suggestions for sequential experimentation. While still in its infancy, Bayesian optimization has recently gained traction in bioprocess engineering. However, experimentation with biological systems is highly complex and the resulting experimental uncertainty requires specific extensions to classical Bayesian optimization. Moreover, current literature often targets readers with a strong statistical background, limiting its accessibility for practitioners. In light of these developments, this review has two aims: first, to provide an intuitive and practical introduction to Bayesian optimization; and second, to outline promising application areas and open algorithmic challenges, thereby highlighting opportunities for future research in machine learning.


SC2Arena and StarEvolve: Benchmark and Self-Improvement Framework for LLMs in Complex Decision-Making Tasks

arXiv.org Artificial Intelligence

Evaluating large language models (LLMs) in complex decision-making is essential for advancing AI's ability for strategic planning and real-time adaptation. However, existing benchmarks for tasks like StarCraft II fail to capture the game's full complexity, such as its complete game context, diverse action spaces, and all playable races. To address this gap, we present SC2Arena, a benchmark that fully supports all playable races, low-level action spaces, and optimizes text-based observations to tackle spatial reasoning challenges. Complementing this, we introduce StarEvolve, a hierarchical framework that integrates strategic planning with tactical execution, featuring iterative self-correction and continuous improvement via fine-tuning on high-quality game-play data. Its key components include a Planner-Executor-V erifier structure to break down gameplay, and a scoring system for selecting high-quality training samples. Comprehensive analysis using SC2Arena provides valuable insights into developing generalist agents that were not possible with previous benchmarks. Experimental results also demonstrate that our proposed StarEvolve achieves superior performance in strategic planning. Our code, environment, and algorithms are publicly available.


CVCM Track Circuits Pre-emptive Failure Diagnostics for Predictive Maintenance Using Deep Neural Networks

arXiv.org Machine Learning

Track circuits are critical for railway operations, acting as the main signalling sub-system to locate trains. Continuous Variable Current Modulation (CVCM) is one such technology. Like any field-deployed, safety-critical asset, it can fail, triggering cascading disruptions. Many failures originate as subtle anomalies that evolve over time, often not visually apparent in monitored signals. Conventional approaches, which rely on clear signal changes, struggle to detect them early. Early identification of failure types is essential to improve maintenance planning, minimising downtime and revenue loss. Leveraging deep neural networks, we propose a predictive maintenance framework that classifies anomalies well before they escalate into failures. Validated on 10 CVCM failure cases across different installations, the method is ISO-17359 compliant and outperforms conventional techniques, achieving 99.31% overall accuracy with detection within 1% of anomaly onset. Through conformal prediction, we provide uncertainty estimates, reaching 99% confidence with consistent coverage across classes. Given CVCMs global deployment, the approach is scalable and adaptable to other track circuits and railway systems, enhancing operational reliability.


Nonlinear filtering based on density approximation and deep BSDE prediction

arXiv.org Machine Learning

A novel approximate Bayesian filter based on backward stochastic differential equations is introduced. It uses a nonlinear Feynman--Kac representation of the filtering problem and the approximation of an unnormalized filtering density using the well-known deep BSDE method and neural networks. The method is trained offline, which means that it can be applied online with new observations. A mixed a priori-a posteriori error bound is proved under an elliptic condition. The theoretical convergence rate is confirmed in two numerical examples.


Curse of High Dimensionality Issue in Transformer for Long-context Modeling

arXiv.org Machine Learning

Transformer-based large language models (LLMs) excel in natural language processing tasks by capturing long-range dependencies through self-attention mechanisms. However, long-context modeling faces significant computational inefficiencies due to \textit{redundant} attention computations: while attention weights are often \textit{sparse}, all tokens consume \textit{equal} computational resources. In this paper, we reformulate traditional probabilistic sequence modeling as a \textit{supervised learning task}, enabling the separation of relevant and irrelevant tokens and providing a clearer understanding of redundancy. Based on this reformulation, we theoretically analyze attention sparsity, revealing that only a few tokens significantly contribute to predictions. Building on this, we formulate attention optimization as a linear coding problem and propose a \textit{group coding strategy}, theoretically showing its ability to improve robustness against random noise and enhance learning efficiency. Motivated by this, we propose \textit{Dynamic Group Attention} (DGA), which leverages the group coding to explicitly reduce redundancy by aggregating less important tokens during attention computation. Empirical results show that our DGA significantly reduces computational costs while maintaining competitive performance.Code is available at https://github.com/bolixinyu/DynamicGroupAttention.


Uncertainty-Aware Prediction of Parkinson's Disease Medication Needs: A Two-Stage Conformal Prediction Approach

arXiv.org Machine Learning

Parkinson's Disease (PD) medication management presents unique challenges due to heterogeneous disease progression and treatment response. Neurologists must balance symptom control with optimal dopaminergic dosing based on functional disability while minimizing side effects. This balance is crucial as inadequate or abrupt changes can cause levodopa-induced dyskinesia, wearing off, and neuropsychiatric effects, significantly reducing quality of life. Current approaches rely on trial-and-error decisions without systematic predictive methods. Despite machine learning advances, clinical adoption remains limited due to reliance on point predictions that do not account for prediction uncertainty, undermining clinical trust and utility. Clinicians require not only predictions of future medication needs but also reliable confidence measures. Without quantified uncertainty, adjustments risk premature escalation to maximum doses or prolonged inadequate symptom control. We developed a conformal prediction framework anticipating medication needs up to two years in advance with reliable prediction intervals and statistical guarantees. Our approach addresses zero-inflation in PD inpatient data, where patients maintain stable medication regimens between visits. Using electronic health records from 631 inpatient admissions at University of Florida Health (2011-2021), our two-stage approach identifies patients likely to need medication changes, then predicts required levodopa equivalent daily dose adjustments. Our framework achieved marginal coverage while reducing prediction interval lengths compared to traditional approaches, providing precise predictions for short-term planning and wider ranges for long-term forecasting. By quantifying uncertainty, our approach enables evidence-based decisions about levodopa dosing, optimizing symptom control while minimizing side effects and improving life quality.


Unpacking the Implicit Norm Dynamics of Sharpness-Aware Minimization in Tensorized Models

arXiv.org Machine Learning

Sharpness-Aware Minimization (SAM) has been proven to be an effective optimization technique for improving generalization in overparameterized models. While prior works have explored the implicit regularization of SAM in simple two-core scale-invariant settings, its behavior in more general tensorized or scale-invariant models remains underexplored. In this work, we leverage scale-invariance to analyze the norm dynamics of SAM in general tensorized models. We introduce the notion of \emph{Norm Deviation} as a global measure of core norm imbalance, and derive its evolution under SAM using gradient flow analysis. We show that SAM's implicit control of Norm Deviation is governed by the covariance between core norms and their gradient magnitudes. Motivated by these findings, we propose a simple yet effective method, \emph{Deviation-Aware Scaling (DAS)}, which explicitly mimics this regularization behavior by scaling core norms in a data-adaptive manner. Our experiments across tensor completion, noisy training, model compression, and parameter-efficient fine-tuning confirm that DAS achieves competitive or improved performance over SAM, while offering reduced computational overhead.


Echoes of Automation: The Increasing Use of LLMs in Newsmaking

arXiv.org Artificial Intelligence

The rapid rise of Generative AI (GenAI), particularly LLMs, poses concerns for journalistic integrity and authorship. This study examines AI-generated content across over 40,000 news articles from major, local, and college news media, in various media formats. Using three advanced AI-text detectors (e.g., Binoculars, Fast-Detect GPT, and GPTZero), we find substantial increase of GenAI use in recent years, especially in local and college news. Sentence-level analysis reveals LLMs are often used in the introduction of news, while conclusions usually written manually. Linguistic analysis shows GenAI boosts word richness and readability but lowers formality, leading to more uniform writing styles, particularly in local media.


LinguaFluid: Language Guided Fluid Control via Semantic Rewards in Reinforcement Learning

arXiv.org Artificial Intelligence

In the domain of scientific machine learning, designing effective reward functions remains a challenge in reinforcement learning (RL), particularly in environments where task goals are difficult to specify numerically. Reward functions in existing work are predominantly based on heuristics, manual engineering, or task-specific tuning. In this work, we introduce a semantically aligned reinforcement learning method where rewards are computed by aligning the current state with a target semantic instruction using a Sentence-Bidirectional Encoder Representations from Transformers (SBERT). Instead of relying on manually defined reward functions, the policy receives feedback based on the reward, which is a cosine similarity between the goal textual description and the statement description in the episode. We evaluated our approach in several environments and showed that semantic reward can guide learning to achieve competitive control behavior, even in the absence of hand-crafted reward functions. Our study demonstrates a correlation between the language embedding space and the conventional Euclidean space. This framework opens new horizons for aligning agent behavior with natural language goals and lays the groundwork for a more seamless integration of larger language models (LLMs) and fluid control applications.