Discovering new superionic materials is essential for advancing solid-state batteries, which offer improved energy density and safety compared to the traditional lithium-ion batteries with liquid electrolytes. Conventional computational methods for identifying such materials are resource-intensive and not easily scalable. Recently, universal interatomic potential models have been developed using equivariant graph neural networks. These models are trained on extensive datasets of first-principles force and energy calculations. One can achieve significant computational advantages by leveraging them as the foundation for traditional methods of assessing the ionic conductivity, such as molecular dynamics or nudged elastic band techniques. However, the generalization error from model inference on diverse atomic structures arising in such calculations can compromise the reliability of the results. In this work, we propose an approach for the quick and reliable evaluation of ionic conductivity through the analysis of a universal interatomic potential. Our method incorporates a set of heuristic structure descriptors that effectively employ the rich knowledge of the underlying model while requiring minimal generalization capabilities. Using our descriptors, we rank lithium-containing materials in the Materials Project database according to their expected ionic conductivity. Eight out of the ten highest-ranked materials are confirmed to be superionic at room temperature in first-principles calculations. Notably, our method achieves a speed-up factor of approximately 50 compared to molecular dynamics driven by a machine-learning potential, and is at least 3,000 times faster compared to first-principles molecular dynamics.

Semantic Simultaneous Localization and Mapping (SLAM) systems struggle to map semantically similar objects in close proximity, especially in cluttered indoor environments. We introduce Semantic Enhancement for Object SLAM (SEO-SLAM), a novel SLAM system that leverages Vision-Language Models (VLMs) and Multimodal Large Language Models (MLLMs) to enhance object-level semantic mapping in such environments. SEO-SLAM tackles existing challenges by (1) generating more specific and descriptive open-vocabulary object labels using MLLMs, (2) simultaneously correcting factors causing erroneous landmarks, and (3) dynamically updating a multiclass confusion matrix to mitigate object detector biases. Our approach enables more precise distinctions between similar objects and maintains map coherence by reflecting scene changes through MLLM feedback. We evaluate SEO-SLAM on our challenging dataset, demonstrating enhanced accuracy and robustness in environments with multiple similar objects. Our system outperforms existing approaches in terms of landmark matching accuracy and semantic consistency. Results show the feedback from MLLM improves object-centric semantic mapping. Our dataset is publicly available at: jungseokhong.com/SEO-SLAM.

Recent rapid advancements of machine learning have greatly enhanced the accuracy of prediction models, but most models remain "black boxes", making prediction error diagnosis challenging, especially with outliers. This lack of transparency hinders trust and reliability in industrial applications. Heuristic attribution methods, while helpful, often fail to capture true causal relationships, leading to inaccurate error attributions. Various root-cause analysis methods have been developed using Shapley values, yet they typically require predefined causal graphs, limiting their applicability for prediction errors in machine learning models. To address these limitations, we introduce the Causal-Discovery-based Root-Cause Analysis (CD-RCA) method that estimates causal relationships between the prediction error and the explanatory variables, without needing a pre-defined causal graph. By simulating synthetic error data, CD-RCA can identify variable contributions to outliers in prediction errors by Shapley values. Extensive simulations show CD-RCA outperforms current heuristic attribution methods, and a sensitivity analysis reveals new patterns where Shapley values may misattribute errors, paving the way for more accurate error attribution methods.

Breast cancer detection is still an open research field, despite a tremendous effort devoted to work in this area. Effect size is a statistical concept that measures the strength of the relationship between two variables on a numeric scale. Feature selection is widely used to reduce the dimensionality of data by selecting only a subset of predictor variables to improve a learning model. In this work, an algorithm and experimental results demonstrate the feasibility of developing a statistical featureselector-based learning tool capable of reducing the data dimensionality using parametric effect size measures from features extracted from cell nuclei images. The SVM classifier with a linear kernel as a learning tool achieved an accuracy of over 90%. These excellent results suggest that the effect size is within the standards of the feature-selector methods. Keywords: Effect Size Cohen's d Standardized Mean Difference Feature selection Breast Cancer

The Learning-to-Defer approach has been explored for classification and, more recently, regression tasks separately. Many contemporary learning tasks, however, involves both classification and regression components. In this paper, we introduce a Learning-to-Defer approach for multi-task learning that encompasses both classification and regression tasks. Our two-stage approach utilizes a rejector that defers decisions to the most accurate agent among a pre-trained joint classifier-regressor models and one or more external experts. We show that our surrogate loss is $(\mathcal{H}, \mathcal{F}, \mathcal{R})$ and Bayes--consistent, ensuring an effective approximation of the optimal solution. Additionally, we derive learning bounds that demonstrate the benefits of employing multiple confident experts along a rich model in a two-stage learning framework. Empirical experiments conducted on electronic health record analysis tasks underscore the performance enhancements achieved through our method.

As the field of quantum physics evolves, researchers naturally form subgroups focusing on specialized problems. While this encourages in-depth exploration, it can limit the exchange of ideas across structurally similar problems in different subfields. To encourage cross-talk among these different specialized areas, data-driven approaches using machine learning have recently shown promise to uncover meaningful connections between research concepts, promoting cross-disciplinary innovation. Current state-of-the-art approaches represent concepts using knowledge graphs and frame the task as a link prediction problem, where connections between concepts are explicitly modeled. In this work, we introduce a novel approach based on dynamic word embeddings for concept combination prediction. Unlike knowledge graphs, our method captures implicit relationships between concepts, can be learned in a fully unsupervised manner, and encodes a broader spectrum of information. We demonstrate that this representation enables accurate predictions about the co-occurrence of concepts within research abstracts over time. To validate the effectiveness of our approach, we provide a comprehensive benchmark against existing methods and offer insights into the interpretability of these embeddings, particularly in the context of quantum physics research. Our findings suggest that this representation offers a more flexible and informative way of modeling conceptual relationships in scientific literature.

Large Language Models (LLMs) have shown significant advances in text generation but often lack the reliability needed for autonomous deployment in high-stakes domains like healthcare, law, and finance. Existing approaches rely on external knowledge or human oversight, limiting scalability. We introduce a novel framework that repurposes ensemble methods for content validation through model consensus. In tests across 78 complex cases requiring factual accuracy and causal consistency, our framework improved precision from 73.1% to 93.9% with two models (95% CI: 83.5%-97.9%) and to 95.6% with three models (95% CI: 85.2%-98.8%). Statistical analysis indicates strong inter-model agreement ($\kappa$ > 0.76) while preserving sufficient independence to catch errors through disagreement. We outline a clear pathway to further enhance precision with additional validators and refinements. Although the current approach is constrained by multiple-choice format requirements and processing latency, it offers immediate value for enabling reliable autonomous AI systems in critical applications.

The two-way flow of information and energy is an important feature of the Energy Internet. Data analytics is a powerful tool in the information flow that aims to solve practical problems using data mining techniques. As the problem of electricity thefts via tampering with smart meters continues to increase, the abnormal behaviors of thefts become more diversified and more difficult to detect. Thus, a data analytics method for detecting various types of electricity thefts is required. However, the existing methods either require a labeled dataset or additional system information which is difficult to obtain in reality or have poor detection accuracy. In this paper, we combine two novel data mining techniques to solve the problem. One technique is the Maximum Information Coefficient (MIC), which can find the correlations between the non-technical loss (NTL) and a certain electricity behavior of the consumer. MIC can be used to precisely detect thefts that appear normal in shapes. The other technique is the clustering technique by fast search and find of density peaks (CFSFDP). CFSFDP finds the abnormal users among thousands of load profiles, making it quite suitable for detecting electricity thefts with arbitrary shapes. Next, a framework for combining the advantages of the two techniques is proposed. Numerical experiments on the Irish smart meter dataset are conducted to show the good performance of the combined method.

However, this remarkable success has also given rise to malicious activities, such as the deliberate dissemination of misinformation. Many nations have raised concerns about foreign interference in their electoral processes and social movements, often orchestrated by other countries or organisations [2-5]. A significant portion of this disinformation is propagated by social bots, automated accounts that mimic human behaviour on social networks, creating and sharing content while interacting with unsuspecting users who are typically unaware that they are engaging with artificial entities. Detecting and stopping the activities of these bots is critical to maintaining the integrity of online information and preserving the authenticity of public discourse [6]. The presence of bots on social media can also harm online ecosystems by engaging in malicious activities such as spamming, phishing, and cyber attacks [7, 8]. Effective bot detection plays a crucial role in safeguarding online platforms, creating a secure and reliable environment for users.

Droplet-based microfluidic devices have substantial promise as cost-effective alternatives to current assessment tools in biological research. Moreover, machine learning models that leverage tabular data, including input design parameters and their corresponding efficiency outputs, are increasingly utilised to automate the design process of these devices and to predict their performance. However, these models fail to fully leverage the data presented in the tables, neglecting crucial contextual information, including column headings and their associated descriptions. This study presents MicroFluidic-LLMs, a framework designed for processing and feature extraction, which effectively captures contextual information from tabular data formats. MicroFluidic-LLMs overcomes processing challenges by transforming the content into a linguistic format and leveraging pre-trained large language models (LLMs) for analysis. We evaluate our MicroFluidic-LLMs framework on 11 prediction tasks, covering aspects such as geometry, flow conditions, regimes, and performance, utilising a publicly available dataset on flow-focusing droplet microfluidics. We demonstrate that our MicroFluidic-LLMs framework can empower deep neural network models to be highly effective and straightforward while minimising the need for extensive data preprocessing. Moreover, the exceptional performance of deep neural network models, particularly when combined with advanced natural language processing models such as DistilBERT and GPT-2, reduces the mean absolute error in the droplet diameter and generation rate by nearly 5- and 7-fold, respectively, and enhances the regime classification accuracy by over 4%, compared with the performance reported in a previous study. This study lays the foundation for the huge potential applications of LLMs and machine learning in a wider spectrum of microfluidic applications.