Consider numerical observations; it is common to calculate their mean and refer to it as central tendency. There are, however, different measures of mean [4]. These measurements are sometimes grouped into families, like Lehmer and Hölder. Distinguishing these measures and better understanding their use involves identifying the link between them and probability density functions (PDFs). For example, the arithmetic mean is the maximum likelihood estimator (MLE) of the position parameter for the normal PDF and the scale parameter for the exponential PDF. For the families of Lehmer and Hölder means, such an interpretation has only recently been proposed for the case of PDFs in the case of the univariate exponential family Let's consider digital observations; it is often common to calculate their mean and designate it as a central tendency. However, there are various measures of the average [2]. These measures are sometimes grouped into families, such as Lehmer and Hölder.

Prediction models can improve efficiency by automating decisions such as the approval of loan applications. However, they may inherit bias against protected groups from the data they are trained on. This paper adds counterfactual (simulated) ethnic bias to real data on mortgage application decisions, and shows that this bias is replicated by a machine learning model (XGBoost) even when ethnicity is not used as a predictive variable. Next, several other de-biasing methods are compared: averaging over prohibited variables, taking the most favorable prediction over prohibited variables (a novel method), and jointly minimizing errors as well as the association between predictions and prohibited variables. De-biasing can recover some of the original decisions, but the results are sensitive to whether the bias is effected through a proxy.

To address the shortcomings of real-world datasets, robust learning algorithms have been designed to overcome arbitrary and indiscriminate data corruption. However, practical processes of gathering data may lead to patterns of data corruption that are localized to specific partitions of the training dataset. Motivated by critical applications where the learned model is deployed to make predictions about people from a rich collection of overlapping subpopulations, we initiate the study of multigroup robust algorithms whose robustness guarantees for each subpopulation only degrade with the amount of data corruption inside that subpopulation. When the data corruption is not distributed uniformly over subpopulations, our algorithms provide more meaningful robustness guarantees than standard guarantees that are oblivious to how the data corruption and the affected subpopulations are related. Our techniques establish a new connection between multigroup fairness and robustness.

Exploration of extreme or remote environments such as Mars is often recognized as an opportunity for multi-robot systems. However, this poses challenges for maintaining robust inter-robot communication without preexisting infrastructure. It may be that robots can only share information when they are physically in close proximity with each other. At the same time, atmospheric phenomena such as dust devils are poorly understood and characterization of their electrostatic properties is of scientific interest. We perform a comparative analysis of two multi-robot communication strategies: a distributed approach, with pairwise intermittent rendezvous, and a centralized, fixed base station approach. We also introduce and evaluate the effectiveness of an algorithm designed to predict the location and strength of electrostatic anomalies, assuming robot proximity. Using an agent-based simulation, we assess the performance of these strategies in a 2D grid cell representation of a Martian environment. Results indicate that a decentralized rendezvous system consistently outperforms a fixed base station system in terms of exploration speed and in reducing the risk of data loss. We also find that inter-robot data sharing improves performance when trying to predict the location and strength of an electrostatic anomaly. These findings indicate the importance of appropriate communication strategies for efficient multi-robot science missions.

This is especially true in environmental sciences that are rapidly transitioning from being data-poor to data-rich, e.g., with the ever-increasing volumes of environmental data being collected by Earth observing satellites, in-situ sensors, and those generated by model simulations (e.g., climate model runs [113]). Similar to how recent developments in ML has transformed how we interact with the information on the Internet, it is befitting to ask how ML advances can enable Earth system scientists to transform a fundamental goal in science, which is to build better models of physical, biological, and environmental systems. The conventional approach for modeling relationships between input drivers and response variables is to use process-based models rooted in scientific equations. Despite their ability to leverage the mechanistic understanding of scientific phenomena, process-based models suffer from several shortcomings limiting their adoption in complex real-world settings, e.g., due to imperfections in model formulations (or modeling bias), incorrect choices of parameter values in equations, and high computational costs in running high-fidelity simulations. In response to these challenges, ML methods offer a promising alternative to capture statistical relationships between inputs and outputs directly from data. However, "black-box" ML models, that solely rely on the supervision contained in data, show limited generalizability in scientific problems, especially when applied to out-of-distribution data. One of the reasons for this lack of generalizability is the limited scale of data in scientific disciplines in contrast to mainstream applications of AI and ML where large-scale datasets in computer vision and natural language modeling have been instrumental in the success of state-of-the-art AI/ML models. Another fundamental deficiency in black-box ML models is their tendency to produce results that are inconsistent with existing scientific theories and their inability to provide a mechanistic understanding of discovered patterns and relationships from data, limiting their usefulness in science.

As the deployment of NLP systems in critical applications grows, ensuring the robustness of large language models (LLMs) against adversarial attacks becomes increasingly important. Large language models excel in various NLP tasks but remain vulnerable to low-cost adversarial attacks. Focusing on the domain of conversation entailment, where multi-turn dialogues serve as premises to verify hypotheses, we fine-tune a transformer model to accurately discern the truthfulness of these hypotheses. Adversaries manipulate hypotheses through synonym swapping, aiming to deceive the model into making incorrect predictions. To counteract these attacks, we implemented innovative fine-tuning techniques and introduced an embedding perturbation loss method to significantly bolster the model's robustness. Our findings not only emphasize the importance of defending against adversarial attacks in NLP but also highlight the real-world implications, suggesting that enhancing model robustness is critical for reliable NLP applications.

The rapid progress of research aimed at interpreting the inner workings of advanced language models has highlighted a need for contextualizing the insights gained from years of work in this area. This primer provides a concise technical introduction to the current techniques used to interpret the inner workings of Transformer-based language models, focusing on the generative decoder-only architecture. We conclude by presenting a comprehensive overview of the known internal mechanisms implemented by these models, uncovering connections across popular approaches and active research directions in this area.

Large language models (LLMs) with their strong zero-shot topic extraction capabilities offer an alternative to probabilistic topic modelling and closed-set topic classification approaches. As zero-shot topic extractors, LLMs are expected to understand human instructions to generate relevant and non-hallucinated topics based on the given documents. However, LLM-based topic modelling approaches often face difficulties in generating topics with adherence to granularity as specified in human instructions, often resulting in many near-duplicate topics. Furthermore, methods for addressing hallucinated topics generated by LLMs have not yet been investigated. In this paper, we focus on addressing the issues of topic granularity and hallucinations for better LLM-based topic modelling. To this end, we introduce a novel approach that leverages Direct Preference Optimisation (DPO) to fine-tune open-source LLMs, such as Mistral-7B. Our approach does not rely on traditional human annotation to rank preferred answers but employs a reconstruction pipeline to modify raw topics generated by LLMs, thus enabling a fast and efficient training and inference framework. Comparative experiments show that our fine-tuning approach not only significantly improves the LLM's capability to produce more coherent, relevant, and precise topics, but also reduces the number of hallucinated topics.

Building height is an important indicator for scientific research and practical application. However, building height products with a high spatial resolution (10m) are still very scarce. To meet the needs of high-resolution building height estimation models, this study established a set of spatial-spectral-temporal feature databases, combining SAR data provided by Sentinel-1, optical data provided by Sentinel-2, and shape data provided by building footprints. The statistical indicators on the time scale are extracted to form a rich database of 160 features. This study combined with permutation feature importance, Shapley Additive Explanations, and Random Forest variable importance, and the final stable features are obtained through an expert scoring system. This study took 12 large, medium, and small cities in the United States as the training data. It used moving windows to aggregate the pixels to solve the impact of SAR image displacement and building shadows. This study built a building height model based on a random forest model and compared three model ensemble methods of bagging, boosting, and stacking. To evaluate the accuracy of the prediction results, this study collected Lidar data in the test area, and the evaluation results showed that its R-Square reached 0.78, which can prove that the building height can be obtained effectively. The fast production of high-resolution building height data can support large-scale scientific research and application in many fields.

Large language models (LLMs) have shown remarkable potential in various domains, but they often lack the ability to access and reason over domain-specific knowledge and tools. In this paper, we introduced CACTUS (Chemistry Agent Connecting Tool-Usage to Science), an LLM-based agent that integrates cheminformatics tools to enable advanced reasoning and problem-solving in chemistry and molecular discovery. We evaluate the performance of CACTUS using a diverse set of open-source LLMs, including Gemma-7b, Falcon-7b, MPT-7b, Llama2-7b, and Mistral-7b, on a benchmark of thousands of chemistry questions. Our results demonstrate that CACTUS significantly outperforms baseline LLMs, with the Gemma-7b and Mistral-7b models achieving the highest accuracy regardless of the prompting strategy used. Moreover, we explore the impact of domain-specific prompting and hardware configurations on model performance, highlighting the importance of prompt engineering and the potential for deploying smaller models on consumer-grade hardware without significant loss in accuracy. By combining the cognitive capabilities of open-source LLMs with domain-specific tools, CACTUS can assist researchers in tasks such as molecular property prediction, similarity searching, and drug-likeness assessment. Furthermore, CACTUS represents a significant milestone in the field of cheminformatics, offering an adaptable tool for researchers engaged in chemistry and molecular discovery. By integrating the strengths of open-source LLMs with domain-specific tools, CACTUS has the potential to accelerate scientific advancement and unlock new frontiers in the exploration of novel, effective, and safe therapeutic candidates, catalysts, and materials. Moreover, CACTUS's ability to integrate with automated experimentation platforms and make data-driven decisions in real time opens up new possibilities for autonomous discovery.