Measurements are fundamental to knowledge creation in science, enabling consistent sharing of findings and serving as the foundation for scientific discovery. As machine learning systems increasingly transform scientific fields, the question of how to effectively evaluate these systems becomes crucial for ensuring reliable progress. In this review, we examine the current state and future directions of evaluation frameworks for machine learning in science. We organize the review around a broadly applicable framework for evaluating machine learning systems through the lens of statistical measurement theory, using materials science as our primary context for examples and case studies. We identify key challenges common across machine learning evaluation such as construct validity, data quality issues, metric design limitations, and benchmark maintenance problems that can lead to phantom progress when evaluation frameworks fail to capture real-world performance needs. By examining both traditional benchmarks and emerging evaluation approaches, we demonstrate how evaluation choices fundamentally shape not only our measurements but also research priorities and scientific progress. These findings reveal the critical need for transparency in evaluation design and reporting, leading us to propose evaluation cards as a structured approach to documenting measurement choices and limitations. Our work highlights the importance of developing a more diverse toolbox of evaluation techniques for machine learning in materials science, while offering insights that can inform evaluation practices in other scientific domains where similar challenges exist.

There exist several techniques for representing the chess board inside the computer. In the first part of this paper, the concepts of the bitboard-representation and the advantages of (rotated) bitboards in move generation are explained. In order to illustrate those ideas practice, the concrete implementation of the move-generator in FUSc# is discussed and we explain a technique how to verify the move-generator with the "perft"-command. We show that the move-generator of FUSc# works 100% correct. The second part of this paper deals with reinforcement learning in computer chess (and beyond). We exemplify the progress that has been made in this field in the last 15-20 years by comparing the "state of the art" from 2002-2008, when FUSc# was developed, with recent innovations connected to "AlphaZero". We discuss how a "FUSc#-Zero" could be implemented and what would be necessary to reduce the number of training games necessary to achieve a good performance. This can be seen as a test case to the general prblem of improving "sample effciency" in reinforcement learning. In the final part, we move beyond computer chess, as the importance of sample effciency extends far beyond board games into a wide range of applications where data is costly, diffcult to obtain, or time consuming to generate. We review some application of the ideas developed in AlphaZero in other domains, i.e. the "other Alphas" like AlphaFold, AlphaTensor, AlphaGeometry and AlphaProof. We also discuss future research and the potential for such methods for ecological economic planning.

Large Language Models (LLMs) are highly proficient in language-based tasks. Their language capabilities have positioned them at the forefront of the future AGI (Artificial General Intelligence) race. However, on closer inspection, Valmeekam et al. (2024); Zecevic et al. (2023); Wu et al. (2024) highlight a significant gap between their language proficiency and reasoning abilities. Reasoning in LLMs and Vision Language Models (VLMs) aims to bridge this gap by enabling these models to think and re-evaluate their actions and responses. Reasoning is an essential capability for complex problem-solving and a necessary step toward establishing trust in Artificial Intelligence (AI). This will make AI suitable for deployment in sensitive domains, such as healthcare, banking, law, defense, security etc. In recent times, with the advent of powerful reasoning models like OpenAI O1 and DeepSeek R1, reasoning endowment has become a critical research topic in LLMs. In this paper, we provide a detailed overview and comparison of existing reasoning techniques and present a systematic survey of reasoning-imbued language models. We also study current challenges and present our findings.

Agent-based modeling is indispensable for studying complex systems across many domains. However, existing simulation platforms exhibit two major issues: performance and modularity. Low performance prevents simulations with a large number of agents, increases development time, limits parameter exploration, and raises computing costs. Inflexible software designs motivate modelers to create their own tools, diverting valuable resources. This dissertation introduces a novel simulation platform called BioDynaMo and its significant improvement, TeraAgent, to alleviate these challenges via three major works. First, we lay the platform's foundation by defining abstractions, establishing software infrastructure, and implementing a multitude of features for agent-based modeling. We demonstrate BioDynaMo's modularity through use cases in neuroscience, epidemiology, and oncology. We validate these models and show the simplicity of adding new functionality with few lines of code. Second, we perform a rigorous performance analysis and identify challenges for shared-memory parallelism. Provided solutions include an optimized grid for neighbor searching, mechanisms to reduce the memory access latency, and exploiting domain knowledge to omit unnecessary work. These improvements yield up to three orders of magnitude speedups, enabling simulations of 1.7 billion agents on a single server. Third, we present TeraAgent, a distributed simulation engine that allows scaling out the computation of one simulation to multiple servers. We identify and address server communication bottlenecks and implement solutions for serialization and delta encoding to accelerate and reduce data transfer. TeraAgent can simulate 500 billion agents and scales to 84096 CPU cores. BioDynaMo has been widely adopted, including a prize-winning radiotherapy simulation recognized as a top 10 breakthrough in physics in 2024.

Software testing and verification are critical for ensuring the reliability and security of modern software systems. Traditionally, formal verification techniques, such as model checking and theorem proving, have provided rigorous frameworks for detecting bugs and vulnerabilities. However, these methods often face scalability challenges when applied to complex, real-world programs. Recently, the advent of Large Language Models (LLMs) has introduced a new paradigm for software analysis, leveraging their ability to understand insecure coding practices. Although LLMs demonstrate promising capabilities in tasks such as bug prediction and invariant generation, they lack the formal guarantees of classical methods. This paper presents a comprehensive study of state-of-the-art software testing and verification, focusing on three key approaches: classical formal methods, LLM-based analysis, and emerging hybrid techniques, which combine their strengths. We explore each approach's strengths, limitations, and practical applications, highlighting the potential of hybrid systems to address the weaknesses of standalone methods. We analyze whether integrating formal rigor with LLM-driven insights can enhance the effectiveness and scalability of software verification, exploring their viability as a pathway toward more robust and adaptive testing frameworks.

With the rapid evolution of Artificial Intelligence (AI), Large Language Models (LLMs) have reshaped the frontiers of various fields, spanning healthcare, public health, engineering, science, agriculture, education, arts, humanities, and mathematical reasoning. Among these advancements, DeepSeek models have emerged as noteworthy contenders, demonstrating promising capabilities that set them apart from their peers. While previous studies have conducted comparative analyses of LLMs, few have delivered a comprehensive evaluation of mathematical reasoning across a broad spectrum of LLMs. In this work, we aim to bridge this gap by conducting an in-depth comparative study, focusing on the strengths and limitations of DeepSeek models in relation to their leading counterparts. In particular, our study systematically evaluates the mathematical reasoning performance of two DeepSeek models alongside five prominent LLMs across three independent benchmark datasets. The findings reveal several key insights: 1). DeepSeek-R1 consistently achieved the highest accuracy on two of the three datasets, demonstrating strong mathematical reasoning capabilities. 2). The distilled variant of LLMs significantly underperformed compared to its peers, highlighting potential drawbacks in using distillation techniques. 3). In terms of response time, Gemini 2.0 Flash demonstrated the fastest processing speed, outperforming other models in efficiency, which is a crucial factor for real-time applications. Beyond these quantitative assessments, we delve into how architecture, training, and optimization impact LLMs' mathematical reasoning. Moreover, our study goes beyond mere performance comparison by identifying key areas for future advancements in LLM-driven mathematical reasoning. This research enhances our understanding of LLMs' mathematical reasoning and lays the groundwork for future advancements

Social media platforms are becoming the foundations of social interactions including messaging and opinion expression. In this regard, Sentiment Analysis techniques focus on providing solutions to ensure the retrieval and analysis of generated data including sentiments, emotions, and discussed topics. International competitions such as the International Workshop on Semantic Evaluation (SemEval) have attracted many researchers and practitioners with a special research interest in building sentiment analysis systems. In our work, we study top-ranking systems for each SemEval edition during the 2013-2021 period, a total of 658 teams participated in these editions with increasing interest over years. We analyze the proposed systems marking the evolution of research trends with a focus on the main components of sentiment analysis systems including data acquisition, preprocessing, and classification. Our study shows an active use of preprocessing techniques, an evolution of features engineering and word representation from lexicon-based approaches to word embeddings, and the dominance of neural networks and transformers over the classification phase fostering the use of ready-to-use models. Moreover, we provide researchers with insights based on experimented systems which will allow rapid prototyping of new systems and help practitioners build for future SemEval editions.

Automatic patent summarization approaches that help in the patent analysis and comprehension procedure are in high demand due to the colossal growth of innovations. The development of natural language processing (NLP), text mining, and deep learning has notably amplified the efficacy of text summarization models for abundant types of documents. Summarizing patent text remains a pertinent challenge due to the labyrinthine writing style of these documents, which includes technical and legal intricacies. Additionally, these patent document contents are considerably lengthier than archetypal documents, which intricates the process of extracting pertinent information for summarization. Embodying extractive and abstractive text summarization methodologies into a hybrid framework, this study proposes a system for efficiently creating abstractive summaries of patent records. The procedure involves leveraging the LexRank graph-based algorithm to retrieve the important sentences from input parent texts, then utilizing a Bidirectional Auto-Regressive Transformer (BART) model that has been fine-tuned using Low-Ranking Adaptation (LoRA) for producing text summaries. This is accompanied by methodical testing and evaluation strategies. Furthermore, the author employed certain meta-learning techniques to achieve Domain Generalization (DG) of the abstractive component across multiple patent fields.

The field of high-speed autonomous racing has seen significant advances in recent years, with the rise of competitions such as RoboRace and the Indy Autonomous Challenge providing a platform for researchers to develop software stacks for autonomous race vehicles capable of reaching speeds in excess of 170 mph. Ensuring the safety of these vehicles requires the software to continuously monitor for different faults and erroneous operating conditions during high-speed operation, with the goal of mitigating any unreasonable risks posed by malfunctions in sub-systems and components. This paper presents a comprehensive overview of the HALO safety architecture, which has been implemented on a full-scale autonomous racing vehicle as part of the Indy Autonomous Challenge. The paper begins with a failure mode and criticality analysis of the perception, planning, control, and communication modules of the software stack. Specifically, we examine three different types of faults - node health, data health, and behavioral-safety faults. To mitigate these faults, the paper then outlines HALO safety archetypes and runtime monitoring methods. Finally, the paper demonstrates the effectiveness of the HALO safety architecture for each of the faults, through real-world data gathered from autonomous racing vehicle trials during multi-agent scenarios.

The increasing volume of textual data poses challenges in reading and comprehending large documents, particularly for scholars who need to extract useful information from research articles. Automatic text summarization has emerged as a powerful tool to condense lengthy documents into concise and informative summaries. Depending on the approach used, text summarization can be categorized as either extractive or abstractive. While extractive methods are commonly used due to their simplicity, they often miss important information. On the other hand, Abstractive Summarization can generate more coherent and informative summaries by understanding the underlying meaning of the text. Abstractive techniques have gained attention in various languages, and recent advancements have been achieved through pre-training models such as BERT, BART, and T5. However, the challenge of summarizing long documents remains, and alternative models like Longformer have been introduced to address this limitation. In this context, this paper focuses on abstractive summarization in the Persian language. The authors introduce a new dataset of 300,000 full-text Persian papers obtained from the Ensani website and apply the ARMAN model, based on the Longformer architecture, to generate summaries. The experimental results demonstrate promising performance in Persian text summarization. The paper provides a comprehensive overview of related work, discusses the methodology, presents the experimental results, and concludes with future research directions.