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Reproducibility is a major concern across scientific fields. Human-Computer Interaction (HCI), in particular, is subject to diverse reproducibility challenges due to the wide range of research methodologies employed. In this article, we explore how the increasing adoption of Large Language Models (LLMs) across all user experience (UX) design and research activities impacts reproducibility in HCI. In particular, we review upcoming reproducibility challenges through the lenses of analogies from past to future (mis)practices like p-hacking and prompt-hacking, general bias, support in data analysis, documentation and education requirements, and possible pressure on the community. We discuss the risks and chances for each of these lenses with the expectation that a more comprehensive discussion will help shape best practices and contribute to valid and reproducible practices around using LLMs in HCI research.

RNA design aims to find a sequence that folds with highest probability into a designated target structure. However, certain structures are undesignable, meaning no sequence can fold into the target structure under the default (Turner) RNA folding model. Understanding the specific local structures (i.e., "motifs") that contribute to undesignability is crucial for refining RNA folding models and determining the limits of RNA designability. Despite its importance, this problem has received very little attention, and previous efforts are neither scalable nor interpretable. We develop a new theoretical framework for motif (un-)designability, and design scalable and interpretable algorithms to identify minimal undesignable motifs within a given RNA secondary structure. Our approach establishes motif undesignability by searching for rival motifs, rather than exhaustively enumerating all (partial) sequences that could potentially fold into the motif. Furthermore, we exploit rotational invariance in RNA structures to detect, group, and reuse equivalent motifs and to construct a database of unique minimal undesignable motifs. To achieve that, we propose a loop-pair graph representation for motifs and a recursive graph isomorphism algorithm for motif equivalence. Our algorithms successfully identify 24 unique minimal undesignable motifs among 18 undesignable puzzles from the Eterna100 benchmark. Surprisingly, we also find over 350 unique minimal undesignable motifs and 663 undesignable native structures in the ArchiveII dataset, drawn from a diverse set of RNA families. Our source code is available at //github.com/shanry/RNA-Undesign and our web server is available at //linearfold.org/motifs.

Modular programming, which aims to construct the final program by integrating smaller, independent building blocks, has been regarded as a desirable practice in software development. However, with the rise of recent code generation agents built upon large language models (LLMs), a question emerges: is this traditional practice equally effective for these new tools? In this work, we assess the impact of modularity in code generation by introducing a novel metric for its quantitative measurement. Surprisingly, unlike conventional wisdom on the topic, we find that modularity is not a core factor for improving the performance of code generation models. We also explore potential explanations for why LLMs do not exhibit a preference for modular code compared to non-modular code.

Quantum software is a key enabler for the revolutionary applications promised by Quantum Computing (QC), a field poised to transform industries and attract significant investment. However, quantum software engineering (QSE) faces unique ethical challenges that must be addressed early to ensure responsible and equitable development. This vision paper explores the role of ethics and specifically diversity and inclusion (D\&I) considerations in QSE, emphasising the importance of embedding these principles throughout the quantum software lifecycle. Neglecting D\&I could lead to power imbalances, algorithmic biases, and limited innovation, ultimately hindering QC's potential to benefit society equitably. By drawing lessons from classical software and artificial intelligence, we discuss our vision for integrating D\&I into QSE, for a more transparent, fair, and accountable future for quantum technologies. This paper aims to initiate discussion within the research community and lay the foundation for the ethical development of quantum software that promotes social equity.

The widespread use of Large Language Models (LLMs) in software engineering has intensified the need for improved model and resource efficiency. In particular, for neural code generation, LLMs are used to translate function/method signature and DocString to executable code. DocStrings which capture user re quirements for the code and used as the prompt for LLMs, often contains redundant information. Recent advancements in prompt compression have shown promising results in Natural Language Processing (NLP), but their applicability to code generation remains uncertain. Our empirical study show that the state-of-the-art prompt compression methods achieve only about 10% reduction, as further reductions would cause significant performance degradation. In our study, we propose a novel compression method, ShortenDoc, dedicated to DocString compression for code generation. Our extensive experiments on six code generation datasets, five open-source LLMs (1B to 10B parameters), and one closed-source LLM GPT-4o confirm that ShortenDoc achieves 25-40% compression while preserving the quality of generated code, outperforming other baseline methods at similar compression levels. The benefit of this research is to improve efficiency and reduce the cost while maintaining the quality of the generated code, especially when calling third-party APIs, and is able to reduce the token processing cost by 25-40%.

Artificial Intelligence is currently and rapidly changing the way organizations and businesses operate. Ethical leadership has become significantly important since organizations and businesses across various sectors are evolving with AI. Organizations and businesses may be facing several challenges and potential opportunities when using AI. Ethical leadership plays a central role in guiding organizations in facing those challenges and maximizing on those opportunities. This article explores the essence of ethical leadership in the age of AI, starting with a simplified introduction of ethical leadership and AI, then dives into an understanding of ethical leadership, its characteristics and importance, the ethical challenges AI causes including bias in AI algorithms. The opportunities for ethical leadership in the age of AI answers the question: What actionable strategies can leaders employ to address the challenges and leverage opportunities? and describes the benefits for organizations through these opportunities. A proposed framework for ethical leadership is presented in this article, incorporating the core components: fairness, transparency, sustainability etc. Through the importance of interdisciplinary collaboration, case studies of ethical leadership in AI, and recommendations, this article emphasizes that ethical leadership in the age of AI is morally essential and strategically advantageous.

The applications of generative AI have become extremely impressive, and the interplay between users and AI is even more so. Current human-AI interaction literature has taken a broad look at how humans interact with generative AI, but it lacks specificity regarding the user interface designs and patterns used to create these applications. Therefore, we present a survey that comprehensively presents taxonomies of how a human interacts with AI and the user interaction patterns designed to meet the needs of a variety of relevant use cases. We focus primarily on user-guided interactions, surveying interactions that are initiated by the user and do not include any implicit signals given by the user. With this survey, we aim to create a compendium of different user-interaction patterns that can be used as a reference for designers and developers alike. In doing so, we also strive to lower the entry barrier for those attempting to learn more about the design of generative AI applications.

Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This work aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science.

As artificial intelligence (AI) models continue to scale up, they are becoming more capable and integrated into various forms of decision-making systems. For models involved in moral decision-making, also known as artificial moral agents (AMA), interpretability provides a way to trust and understand the agent's internal reasoning mechanisms for effective use and error correction. In this paper, we provide an overview of this rapidly-evolving sub-field of AI interpretability, introduce the concept of the Minimum Level of Interpretability (MLI) and recommend an MLI for various types of agents, to aid their safe deployment in real-world settings.

Spectral clustering (SC) is a popular clustering technique to find strongly connected communities on a graph. SC can be used in Graph Neural Networks (GNNs) to implement pooling operations that aggregate nodes belonging to the same cluster. However, the eigendecomposition of the Laplacian is expensive and, since clustering results are graph-specific, pooling methods based on SC must perform a new optimization for each new sample. In this paper, we propose a graph clustering approach that addresses these limitations of SC. We formulate a continuous relaxation of the normalized minCUT problem and train a GNN to compute cluster assignments that minimize this objective. Our GNN-based implementation is differentiable, does not require to compute the spectral decomposition, and learns a clustering function that can be quickly evaluated on out-of-sample graphs. From the proposed clustering method, we design a graph pooling operator that overcomes some important limitations of state-of-the-art graph pooling techniques and achieves the best performance in several supervised and unsupervised tasks.