Daily Papers

The dynamic imbalance of the fore-background is a major challenge in video object counting, which is usually caused by the sparsity of target objects. This remains understudied in existing works and often leads to severe under-/over-prediction errors. To tackle this issue in video object counting, we propose a density-embedded Efficient Masked Autoencoder Counting (E-MAC) framework in this paper. To empower the model's representation ability on density regression, we develop a new Density-Embedded Masked mOdeling (DEMO) method, which first takes the density map as an auxiliary modality to perform multimodal self-representation learning for image and density map. Although DEMO contributes to effective cross-modal regression guidance, it also brings in redundant background information, making it difficult to focus on the foreground regions. To handle this dilemma, we propose an efficient spatial adaptive masking derived from density maps to boost efficiency. Meanwhile, we employ an optical flow-based temporal collaborative fusion strategy to effectively capture the dynamic variations across frames, aligning features to derive multi-frame density residuals. The counting accuracy of the current frame is boosted by harnessing the information from adjacent frames. In addition, considering that most existing datasets are limited to human-centric scenarios, we first propose a large video bird counting dataset, DroneBird, in natural scenarios for migratory bird protection. Extensive experiments on three crowd datasets and our DroneBird validate our superiority against the counterparts. The code and dataset are available.

Machine learning potentials (MLPs) have become essential for large-scale atomistic simulations, enabling ab initio-level accuracy with computational efficiency. However, current MLPs struggle with uncertainty quantification, limiting their reliability for active learning, calibration, and out-of-distribution (OOD) detection. We address these challenges by developing Bayesian E(3) equivariant MLPs with iterative restratification of many-body message passing. Our approach introduces the joint energy-force negative log-likelihood (NLL_JEF) loss function, which explicitly models uncertainty in both energies and interatomic forces, yielding superior accuracy compared to conventional NLL losses. We systematically benchmark multiple Bayesian approaches, including deep ensembles with mean-variance estimation, stochastic weight averaging Gaussian, improved variational online Newton, and laplace approximation by evaluating their performance on uncertainty prediction, OOD detection, calibration, and active learning tasks. We further demonstrate that NLL_JEF facilitates efficient active learning by quantifying energy and force uncertainties. Using Bayesian active learning by disagreement (BALD), our framework outperforms random sampling and energy-uncertainty-based sampling. Our results demonstrate that Bayesian MLPs achieve competitive accuracy with state-of-the-art models while enabling uncertainty-guided active learning, OOD detection, and energy/forces calibration. This work establishes Bayesian equivariant neural networks as a powerful framework for developing uncertainty-aware MLPs for atomistic simulations at scale.

Event cameras offer multiple advantages in monocular egocentric 3D human pose estimation from head-mounted devices, such as millisecond temporal resolution, high dynamic range, and negligible motion blur. Existing methods effectively leverage these properties, but suffer from low 3D estimation accuracy, insufficient in many applications (e.g., immersive VR/AR). This is due to the design not being fully tailored towards event streams (e.g., their asynchronous and continuous nature), leading to high sensitivity to self-occlusions and temporal jitter in the estimates. This paper rethinks the setting and introduces E-3DPSM, an event-driven continuous pose state machine for event-based egocentric 3D human pose estimation. E-3DPSM aligns continuous human motion with fine-grained event dynamics; it evolves latent states and predicts continuous changes in 3D joint positions associated with observed events, which are fused with direct 3D human pose predictions, leading to stable and drift-free final 3D pose reconstructions. E-3DPSM runs in real-time at 80 Hz on a single workstation and sets a new state of the art in experiments on two benchmarks, improving accuracy by up to 19% (MPJPE) and temporal stability by up to 2.7x. See our project page for the source code and trained models.

Fraud detection and prevention play an important part in ensuring the sustained operation of any e-commerce business. Machine learning (ML) often plays an important role in these anti-fraud operations, but the organizational context in which these ML models operate cannot be ignored. In this paper, we take an organization-centric view on the topic of fraud detection by formulating an operational model of the anti-fraud departments in e-commerce organizations. We derive 6 research topics and 12 practical challenges for fraud detection from this operational model. We summarize the state of the literature for each research topic, discuss potential solutions to the practical challenges, and identify 22 open research challenges.

E-commerce platforms categorize their products into a multi-level taxonomy tree with thousands of leaf categories. Conventional methods for product categorization are typically based on machine learning classification algorithms. These algorithms take product information as input (e.g., titles and descriptions) to classify a product into a leaf category. In this paper, we propose a new paradigm based on machine translation. In our approach, we translate a product's natural language description into a sequence of tokens representing a root-to-leaf path in a product taxonomy. In our experiments on two large real-world datasets, we show that our approach achieves better predictive accuracy than a state-of-the-art classification system for product categorization. In addition, we demonstrate that our machine translation models can propose meaningful new paths between previously unconnected nodes in a taxonomy tree, thereby transforming the taxonomy into a directed acyclic graph (DAG). We discuss how the resultant taxonomy DAG promotes user-friendly navigation, and how it is more adaptable to new products.

Advances in natural language processing have resulted in large language models (LLMs) that are capable of generating understandable and sensible written text. Recent versions of these models, such as OpenAI Codex and GPT-3, can generate code and code explanations. However, it is unclear whether and how students might engage with such explanations. In this paper, we report on our experiences generating multiple code explanation types using LLMs and integrating them into an interactive e-book on web software development. We modified the e-book to make LLM-generated code explanations accessible through buttons next to code snippets in the materials, which allowed us to track the use of the explanations as well as to ask for feedback on their utility. Three different types of explanations were available for students for each explainable code snippet; a line-by-line explanation, a list of important concepts, and a high-level summary of the code. Our preliminary results show that all varieties of explanations were viewed by students and that the majority of students perceived the code explanations as helpful to them. However, student engagement appeared to vary by code snippet complexity, explanation type, and code snippet length. Drawing on our experiences, we discuss future directions for integrating explanations generated by LLMs into existing computer science classrooms.

Accurately modeling chemical reactions at the atomistic level requires high-level electronic structure theory due to the presence of unpaired electrons and the need to properly describe bond breaking and making energetics. Commonly used approaches such as Density Functional Theory (DFT) frequently fail for this task due to deficiencies that are well recognized. However, for high-fidelity approaches, creating large datasets of energies and forces for reactive processes to train machine learning interatomic potentials or force fields is daunting. For example, the use of the unrestricted coupled cluster level of theory has previously been seen as unfeasible due to high computational costs, the lack of analytical gradients in many computational codes, and additional challenges such as constructing suitable basis set corrections for forces. In this work, we develop new methods and workflows to overcome the challenges inherent to automating unrestricted coupled cluster calculations. Using these advancements, we create a dataset of gas-phase reactions containing energies and forces for 3119 different organic molecules configurations calculated at the gold-standard level of unrestricted CCSD(T) (coupled cluster singles doubles and perturbative triples). With this dataset, we provide an analysis of the differences between the density functional and unrestricted CCSD(T) descriptions. We develop a transferable machine learning interatomic potential for gas-phase reactions, trained on unrestricted CCSD(T) data, and demonstrate the advantages of transitioning away from DFT data. Transitioning from training to DFT to training to UCCSD(T) datasets yields an improvement of more than 0.1 eV/Å in force accuracy and over 0.1 eV in activation energy reproduction.

The goal of product mapping is to decide, whether two listings from two different e-shops describe the same products. Existing datasets of matching and non-matching pairs of products, however, often suffer from incomplete product information or contain only very distant non-matching products. Therefore, while predictive models trained on these datasets achieve good results on them, in practice, they are unusable as they cannot distinguish very similar but non-matching pairs of products. This paper introduces two new datasets for product mapping: ProMapCz consisting of 1,495 Czech product pairs and ProMapEn consisting of 1,555 English product pairs of matching and non-matching products manually scraped from two pairs of e-shops. The datasets contain both images and textual descriptions of the products, including their specifications, making them one of the most complete datasets for product mapping. Additionally, the non-matching products were selected in two phases, creating two types of non-matches -- close non-matches and medium non-matches. Even the medium non-matches are pairs of products that are much more similar than non-matches in other datasets -- for example, they still need to have the same brand and similar name and price. After simple data preprocessing, several machine learning algorithms were trained on these and two the other datasets to demonstrate the complexity and completeness of ProMap datasets. ProMap datasets are presented as a golden standard for further research of product mapping filling the gaps in existing ones.

We introduce AceFF, a pre-trained machine learning interatomic potential (MLIP) optimized for small molecule drug discovery. While MLIPs have emerged as efficient alternatives to Density Functional Theory (DFT), generalizability across diverse chemical spaces remains difficult. AceFF addresses this via a refined TensorNet2 architecture trained on a comprehensive dataset of drug-like compounds. This approach yields a force field that balances high-throughput inference speed with DFT-level accuracy. AceFF fully supports the essential medicinal chemistry elements (H, B, C, N, O, F, Si, P, S, Cl, Br, I) and is explicitly trained to handle charged states. Validation against rigorous benchmarks, including complex torsional energy scans, molecular dynamics trajectories, batched minimizations, and forces and anergy accuracy demonstrates that AceFF establishes a new state-of-the-art for organic molecules. The AceFF-2 model weights and inference code are available at https://huggingface.co/Acellera/AceFF-2.0.

Climate models have been key for assessing the impact of climate change and simulating future climate scenarios. The machine learning (ML) community has taken an increased interest in supporting climate scientists' efforts on various tasks such as climate model emulation, downscaling, and prediction tasks. Many of those tasks have been addressed on datasets created with single climate models. However, both the climate science and ML communities have suggested that to address those tasks at scale, we need large, consistent, and ML-ready climate model datasets. Here, we introduce ClimateSet, a dataset containing the inputs and outputs of 36 climate models from the Input4MIPs and CMIP6 archives. In addition, we provide a modular dataset pipeline for retrieving and preprocessing additional climate models and scenarios. We showcase the potential of our dataset by using it as a benchmark for ML-based climate model emulation. We gain new insights about the performance and generalization capabilities of the different ML models by analyzing their performance across different climate models. Furthermore, the dataset can be used to train an ML emulator on several climate models instead of just one. Such a "super emulator" can quickly project new climate change scenarios, complementing existing scenarios already provided to policymakers. We believe ClimateSet will create the basis needed for the ML community to tackle climate-related tasks at scale.

In this paper, we present a new application-focused benchmark dataset and results from a set of baseline Natural Language Processing and Machine Learning models for prediction of match outcomes for games of football (soccer). By doing so we give a baseline for the prediction accuracy that can be achieved exploiting both statistical match data and contextual articles from human sports journalists. Our dataset is focuses on a representative time-period over 6 seasons of the English Premier League, and includes newspaper match previews from The Guardian. The models presented in this paper achieve an accuracy of 63.18% showing a 6.9% boost on the traditional statistical methods.

Machine learning (ML) offers transformative potential for computational fluid dynamics (CFD), promising to accelerate simulations, improve turbulence modelling, and enable real-time flow prediction and control-capabilities that could fundamentally change how engineers approach fluid dynamics problems. However, the exploration of ML in fluid dynamics is critically hampered by the scarcity of large, diverse, and high-fidelity datasets suitable for training robust models. This limitation is particularly acute for highly turbulent flows, which dominate practical engineering applications yet remain computationally prohibitive to simulate at scale. High-Reynolds number turbulent datasets are essential for ML models to learn the complex, multi-scale physics characteristic of real-world flows, enabling generalisation beyond the simplified, low-Reynolds number regimes often represented in existing datasets. This paper introduces WAKESET, a novel, large-scale CFD dataset of highly turbulent flows, designed to address this critical gap. The dataset captures the complex hydrodynamic interactions during the underwater recovery of an autonomous underwater vehicle by a larger extra-large uncrewed underwater vehicle. It comprises 1,091 high-fidelity Reynolds-Averaged Navier-Stokes simulations, augmented to 4,364 instances, covering a wide operational envelope of speeds (up to Reynolds numbers of 1.09 x 10^8) and turning angles. This work details the motivation for this new dataset by reviewing existing resources, outlines the hydrodynamic modelling and validation underpinning its creation, and describes its structure. The dataset's focus on a practical engineering problem, its scale, and its high turbulence characteristics make it a valuable resource for developing and benchmarking ML models for flow field prediction, surrogate modelling, and autonomous navigation in complex underwater environments.

The rapid development of large language models (LLMs) has significantly improved the generation of fluent and convincing text, raising concerns about their misuse on social media platforms. We present a methodology using Twitter datasets to examine the generative capabilities of four LLMs: Llama 3, Mistral, Qwen2, and GPT4o. We evaluate 7B and 8B parameter base-instruction models of the three open-source LLMs and validate the impact of further fine-tuning and "uncensored" versions. Our findings show that "uncensored" models with additional in-domain fine-tuning dramatically reduce the effectiveness of automated detection methods. This study addresses a gap by exploring smaller open-source models and the effects of "uncensoring," providing insights into how fine-tuning and content moderation influence machine-generated text detection.

Data collection through censuses is conducted every 10 years on average in Latin America, making it difficult to monitor the growth and support needed by communities living in these settlements. Conducting a field survey requires logistical resources to be able to do it exhaustively. The increasing availability of open data, high-resolution satellite images, and free software to process them allow us to be able to do so in a scalable way based on the analysis of these sources of information. This case study shows the collaboration between Dymaxion Labs and the NGO Techo to employ machine learning techniques to create the first informal settlements census of Tegucigalpa, Honduras.

Matbench Discovery simulates the deployment of machine learning (ML) energy models in a high-throughput search for stable inorganic crystals. We address the disconnect between (i) thermodynamic stability and formation energy and (ii) in-domain vs out-of-distribution performance. Alongside this paper, we publish a Python package to aid with future model submissions and a growing online leaderboard with further insights into trade-offs between various performance metrics. To answer the question which ML methodology performs best at materials discovery, our initial release explores a variety of models including random forests, graph neural networks (GNN), one-shot predictors, iterative Bayesian optimizers and universal interatomic potentials (UIP). Ranked best-to-worst by their test set F1 score on thermodynamic stability prediction, we find CHGNet > M3GNet > MACE > ALIGNN > MEGNet > CGCNN > CGCNN+P > Wrenformer > BOWSR > Voronoi tessellation fingerprints with random forest. The top 3 models are UIPs, the winning methodology for ML-guided materials discovery, achieving F1 scores of ~0.6 for crystal stability classification and discovery acceleration factors (DAF) of up to 5x on the first 10k most stable predictions compared to dummy selection from our test set. We also highlight a sharp disconnect between commonly used global regression metrics and more task-relevant classification metrics. Accurate regressors are susceptible to unexpectedly high false-positive rates if those accurate predictions lie close to the decision boundary at 0 eV/atom above the convex hull where most materials are. Our results highlight the need to focus on classification metrics that actually correlate with improved stability hit rate.

Unmanned aerial vehicles (UAVs) are cyber-physical systems whose attack surface spans networked avionics and on-board sensor fusion: a compromised GPS or battery module can mimic a benign mission segment and evade naive anomaly detectors. We present a leakage-free evaluation of quantum machine learning for UAV anomaly detection on the multi-sensor TLM:UAV benchmark. Three contributions support the study. (i) A group-aware temporal protocol (B2) partitions the dataset into ten contiguous TimeUS blocks and evaluates over ten seeds, eliminating the inflation produced by random stratified splits that mix neighbouring samples. (ii) A three-mode feature audit (full/loose/strict) quantifies how much accuracy stems from instantaneous physical signals versus contextual proxies (cumulative energy, battery state, GPS trajectory). (iii) A hybrid XGBoost + Data Reuploading (DRU) classifier is benchmarked against five paired non-linear controls (raw, PCA, polynomial-2, random-RBF, and an untrained DRU map) under identical budgets. The standalone DRU does not consistently match the strongest classical baseline across seeds; however, the trained-DRU hybrid is the only model whose mean F1 macro shifts upward from full to strict (+0.05), a directional signal that the per-seed standard deviations prevent from being interpreted as a statistically established difference. The trained-DRU hybrid also records the lowest mean false-alarm rate under proxy-free evaluation, subject to the inter-seed variance reported. We frame this as an incremental, reproducible quantum-enhanced hybrid benefit, and provide an open Qiskit 2.x implementation as a benchmark for cybersecurity analytics in NISQ-era aerospace systems.

This paper provides a review and commentary on the past, present, and future of numerical optimization algorithms in the context of machine learning applications. Through case studies on text classification and the training of deep neural networks, we discuss how optimization problems arise in machine learning and what makes them challenging. A major theme of our study is that large-scale machine learning represents a distinctive setting in which the stochastic gradient (SG) method has traditionally played a central role while conventional gradient-based nonlinear optimization techniques typically falter. Based on this viewpoint, we present a comprehensive theory of a straightforward, yet versatile SG algorithm, discuss its practical behavior, and highlight opportunities for designing algorithms with improved performance. This leads to a discussion about the next generation of optimization methods for large-scale machine learning, including an investigation of two main streams of research on techniques that diminish noise in the stochastic directions and methods that make use of second-order derivative approximations.

The emergent ability of Large Language Models to use a small number of examples to learn to perform in novel domains and tasks, also called in-context learning (ICL). In this work, we show that a much smaller model can be trained to perform ICL by fine-tuning towards a specialized training objective, exemplified on the task of domain adaptation for neural machine translation. With this capacity for ICL, the model can take advantage of relevant few-shot examples to adapt its output towards the domain. We compare the quality of this domain adaptation to traditional supervised techniques and ICL with a 40B-parameter Large Language Model. Our approach allows efficient batch inference on a mix of domains and outperforms state-of-the-art baselines in terms of both translation quality and immediate adaptation rate, i.e. the ability to reproduce a specific term after being shown a single example.

Machine unlearning is rapidly becoming a practical requirement, driven by privacy regulations, data errors, and the need to remove harmful or corrupted training samples. Despite this, most existing methods tackle the problem purely from a post-hoc perspective. They attempt to erase the influence of targeted training samples through parameter updates that typically require access to the full training data. This creates a mismatch with real deployment scenarios where unlearning requests can be anticipated, revealing a fundamental limitation of post-hoc approaches. We propose unlearning by design, a novel paradigm in which models are directly trained to support forgetting as an inherent capability. We instantiate this idea with Machine UNlearning via KEY deletion (MUNKEY), a memory augmented transformer that decouples instance-specific memorization from model weights. Here, unlearning corresponds to removing the instance-identifying key, enabling direct zero-shot forgetting without weight updates or access to the original samples or labels. Across natural image benchmarks, fine-grained recognition, and medical datasets, MUNKEY outperforms all post-hoc baselines. Our results establish that unlearning by design enables fast, deployment-oriented unlearning while preserving predictive performance.

Machine learning classification problems are widespread in bioinformatics, but the technical knowledge required to perform model training, optimization, and inference can prevent researchers from utilizing this technology. This article presents an automated tool for machine learning classification problems to simplify the process of training models and producing results while providing informative visualizations and insights into the data. This tool supports both binary and multiclass classification problems, and it provides access to a variety of models and methods. Synthetic data can be generated within the interface to fill missing values, balance class labels, or generate entirely new datasets. It also provides support for feature evaluation and generates explainability scores to indicate which features influence the output the most. We present CLASSify, an open-source tool for simplifying the user experience of solving classification problems without the need for knowledge of machine learning.

The development of reliable and extensible molecular mechanics (MM) force fields -- fast, empirical models characterizing the potential energy surface of molecular systems -- is indispensable for biomolecular simulation and computer-aided drug design. Here, we introduce a generalized and extensible machine-learned MM force field, espaloma-0.3, and an end-to-end differentiable framework using graph neural networks to overcome the limitations of traditional rule-based methods. Trained in a single GPU-day to fit a large and diverse quantum chemical dataset of over 1.1M energy and force calculations, espaloma-0.3 reproduces quantum chemical energetic properties of chemical domains highly relevant to drug discovery, including small molecules, peptides, and nucleic acids. Moreover, this force field maintains the quantum chemical energy-minimized geometries of small molecules and preserves the condensed phase properties of peptides, self-consistently parametrizing proteins and ligands to produce stable simulations leading to highly accurate predictions of binding free energies. This methodology demonstrates significant promise as a path forward for systematically building more accurate force fields that are easily extensible to new chemical domains of interest.

Using conservation of energy - a fundamental property of closed classical and quantum mechanical systems - we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio molecular dynamics (AIMD) trajectories. The GDML implementation is able to reproduce global potential energy surfaces of intermediate-sized molecules with an accuracy of 0.3 kcal mol^{-1} for energies and 1 kcal mol^{-1} textÅ^{-1} for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative molecular dynamics simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods.

Machine Learning methods can learn how to reconstruct Magnetic Resonance Images and thereby accelerate acquisition, which is of paramount importance to the clinical workflow. Physics-informed networks incorporate the forward model of accelerated MRI reconstruction in the learning process. With increasing network complexity, robustness is not ensured when reconstructing data unseen during training. We aim to embed data consistency (DC) in deep networks while balancing the degree of network complexity. While doing so, we will assess whether either explicit or implicit enforcement of DC in varying network architectures is preferred to optimize performance. We propose a scheme called Cascades of Independently Recurrent Inference Machines (CIRIM) to assess DC through unrolled optimization. Herein we assess DC both implicitly by gradient descent and explicitly by a designed term. Extensive comparison of the CIRIM to CS as well as to other methods is performed: the E2EVN, CascadeNet, KIKINet, LPDNet, RIM, IRIM, and UNet. Models were trained and evaluated on T1-weighted and FLAIR contrast brain data, and T2-weighted knee data. Both 1D and 2D undersampling patterns were evaluated. Robustness was tested by reconstructing 7.5x prospectively undersampled 3D FLAIR MRI data of Multiple Sclerosis (MS) patients with white matter lesions. The CIRIM performed best when implicitly enforcing DC, while the E2EVN required an explicit DC formulation. In reconstructing MS patient data, prospectively acquired with a sampling pattern unseen during model training, the CIRIM maintained lesion contrast while efficiently denoising the images. The CIRIM showed highly promising generalization capabilities maintaining a very fair trade-off between reconstructed image quality and fast reconstruction times, which is crucial in the clinical workflow.

Objective: To allow efficient learning using the Recurrent Inference Machine (RIM) for image reconstruction whereas not being strictly dependent on the training data distribution so that unseen modalities and pathologies are still accurately recovered. Methods: Theoretically, the RIM learns to solve the inverse problem of accelerated-MRI reconstruction whereas being robust to variable imaging conditions. The efficiency and generalization capabilities with different training datasets were studied, as well as recurrent network units with decreasing complexity: the Gated Recurrent Unit (GRU), the Minimal Gated Unit (MGU), and the Independently Recurrent Neural Network (IndRNN), to reduce inference times. Validation was performed against Compressed Sensing (CS) and further assessed based on data unseen during training. A pathology study was conducted by reconstructing simulated white matter lesions and prospectively undersampled data of a Multiple Sclerosis patient. Results: Training on a single modality of 3T T_1-weighted brain data appeared sufficient to also reconstruct 7T T_{2}^*-weighted brain and 3T T_2-weighted knee data. The IndRNN is an efficient recurrent unit, reducing inference time by 68\% compared to CS, whereas maintaining performance. The RIM was able to reconstruct lesions unseen during training more accurately than CS when trained on T_2-weighted knee data. Training on T_1-weighted brain data and on combined data slightly enhanced the signal compared to CS. Conclusion: The RIM is efficient when decreasing its complexity, which reduces the inference time, whereas still being able to reconstruct data and pathology that was unseen during training.

This study developed a novel method for detecting hypernuclear events recorded in nuclear emulsion sheets using machine learning techniques. The artificial neural network-based object detection model was trained on surrogate images created through Monte Carlo simulations and image-style transformations using generative adversarial networks. The performance of the proposed model was evaluated using alpha-decay events obtained from the J-PARC E07 emulsion data. The model achieved approximately twice the detection efficiency of conventional image processing and reduced the time spent on manual visual inspection by approximately 1/17. The established method was successfully applied to the detection of hypernuclear events. This approach is a state-of-the-art tool for discovering rare events recorded in nuclear emulsion sheets without any real data for training.

We used machine learning and artificial intelligence: 1) to measure levels of peace in countries from news and social media and 2) to develop on-line tools that promote peace by helping users better understand their own media diet. For news media, we used neural networks to measure levels of peace from text embeddings of on-line news sources. The model, trained on one news media dataset also showed high accuracy when used to analyze a different news dataset. For social media, such as YouTube, we developed other models to measure levels of social dimensions important in peace using word level (GoEmotions) and context level (Large Language Model) methods. To promote peace, we note that 71% of people 20-40 years old daily view most of their news through short videos on social media. Content creators of these videos are biased towards creating videos with emotional activation, making you angry to engage you, to increase clicks. We developed and tested a Chrome extension, MirrorMirror, which provides real-time feedback to YouTube viewers about the peacefulness of the media they are watching. Our long term goal is for MirrorMirror to evolve into an open-source tool for content creators, journalists, researchers, platforms, and individual users to better understand the tone of their media creation and consumption and its effects on viewers. Moving beyond simple engagement metrics, we hope to encourage more respectful, nuanced, and informative communication.

Machine learning potentials are an important tool for molecular simulation, but their development is held back by a shortage of high quality datasets to train them on. We describe the SPICE dataset, a new quantum chemistry dataset for training potentials relevant to simulating drug-like small molecules interacting with proteins. It contains over 1.1 million conformations for a diverse set of small molecules, dimers, dipeptides, and solvated amino acids. It includes 15 elements, charged and uncharged molecules, and a wide range of covalent and non-covalent interactions. It provides both forces and energies calculated at the ωB97M-D3(BJ)/def2-TZVPPD level of theory, along with other useful quantities such as multipole moments and bond orders. We train a set of machine learning potentials on it and demonstrate that they can achieve chemical accuracy across a broad region of chemical space. It can serve as a valuable resource for the creation of transferable, ready to use potential functions for use in molecular simulations.

Machine learning (ML) interpretability techniques can reveal undesirable patterns in data that models exploit to make predictions--potentially causing harms once deployed. However, how to take action to address these patterns is not always clear. In a collaboration between ML and human-computer interaction researchers, physicians, and data scientists, we develop GAM Changer, the first interactive system to help domain experts and data scientists easily and responsibly edit Generalized Additive Models (GAMs) and fix problematic patterns. With novel interaction techniques, our tool puts interpretability into action--empowering users to analyze, validate, and align model behaviors with their knowledge and values. Physicians have started to use our tool to investigate and fix pneumonia and sepsis risk prediction models, and an evaluation with 7 data scientists working in diverse domains highlights that our tool is easy to use, meets their model editing needs, and fits into their current workflows. Built with modern web technologies, our tool runs locally in users' web browsers or computational notebooks, lowering the barrier to use. GAM Changer is available at the following public demo link: https://interpret.ml/gam-changer.

Machine learning is a general-purpose technology holding promises for many interdisciplinary research problems. However, significant barriers exist in crossing disciplinary boundaries when most machine learning tools are developed in different areas separately. We present Pykale - a Python library for knowledge-aware machine learning on graphs, images, texts, and videos to enable and accelerate interdisciplinary research. We formulate new green machine learning guidelines based on standard software engineering practices and propose a novel pipeline-based application programming interface (API). PyKale focuses on leveraging knowledge from multiple sources for accurate and interpretable prediction, thus supporting multimodal learning and transfer learning (particularly domain adaptation) with latest deep learning and dimensionality reduction models. We build PyKale on PyTorch and leverage the rich PyTorch ecosystem. Our pipeline-based API design enforces standardization and minimalism, embracing green machine learning concepts via reducing repetitions and redundancy, reusing existing resources, and recycling learning models across areas. We demonstrate its interdisciplinary nature via examples in bioinformatics, knowledge graph, image/video recognition, and medical imaging.

Machine learning plays a role in many deployed decision systems, often in ways that are difficult or impossible to understand by human stakeholders. Explaining, in a human-understandable way, the relationship between the input and output of machine learning models is essential to the development of trustworthy machine learning based systems. A burgeoning body of research seeks to define the goals and methods of explainability in machine learning. In this paper, we seek to review and categorize research on counterfactual explanations, a specific class of explanation that provides a link between what could have happened had input to a model been changed in a particular way. Modern approaches to counterfactual explainability in machine learning draw connections to the established legal doctrine in many countries, making them appealing to fielded systems in high-impact areas such as finance and healthcare. Thus, we design a rubric with desirable properties of counterfactual explanation algorithms and comprehensively evaluate all currently proposed algorithms against that rubric. Our rubric provides easy comparison and comprehension of the advantages and disadvantages of different approaches and serves as an introduction to major research themes in this field. We also identify gaps and discuss promising research directions in the space of counterfactual explainability.

Machine learning is a promising application of quantum computing, but challenges remain as near-term devices will have a limited number of physical qubits and high error rates. Motivated by the usefulness of tensor networks for machine learning in the classical context, we propose quantum computing approaches to both discriminative and generative learning, with circuits based on tree and matrix product state tensor networks that could have benefits for near-term devices. The result is a unified framework where classical and quantum computing can benefit from the same theoretical and algorithmic developments, and the same model can be trained classically then transferred to the quantum setting for additional optimization. Tensor network circuits can also provide qubit-efficient schemes where, depending on the architecture, the number of physical qubits required scales only logarithmically with, or independently of the input or output data sizes. We demonstrate our proposals with numerical experiments, training a discriminative model to perform handwriting recognition using a optimization procedure that could be carried out on quantum hardware, and testing the noise resilience of the trained model.

Fundamental experimental measurements of quantities such as ignition delay times, laminar flame speeds, and species profiles (among others) serve important roles in understanding fuel chemistry and validating chemical kinetic models. However, despite both the importance and abundance of such information in the literature, the community lacks a widely adopted standard format for this data. This impedes both sharing and wide use by the community. Here we introduce a new chemical kinetics experimental data format, ChemKED, and the related Python-based package for validating and working with ChemKED-formatted files called PyKED. We also review past and related efforts, and motivate the need for a new solution. ChemKED currently supports the representation of autoignition delay time measurements from shock tubes and rapid compression machines. ChemKED-formatted files contain all of the information needed to simulate experimental data points, including the uncertainty of the data. ChemKED is based on the YAML data serialization language, and is intended as a human- and machine-readable standard for easy creation and automated use. Development of ChemKED and PyKED occurs openly on GitHub under the BSD 3-clause license, and contributions from the community are welcome. Plans for future development include support for experimental data from laminar flame, jet stirred reactor, and speciation measurements.

Machine learning has promised to change the landscape of laboratory chemistry, with impressive results in molecular property prediction and reaction retro-synthesis. However, chemical datasets are often inaccessible to the machine learning community as they tend to require cleaning, thorough understanding of the chemistry, or are simply not available. In this paper, we introduce a novel dataset for yield prediction, providing the first-ever transient flow dataset for machine learning benchmarking, covering over 1200 process conditions. While previous datasets focus on discrete parameters, our experimental set-up allow us to sample a large number of continuous process conditions, generating new challenges for machine learning models. We focus on solvent selection, a task that is particularly difficult to model theoretically and therefore ripe for machine learning applications. We showcase benchmarking for regression algorithms, transfer-learning approaches, feature engineering, and active learning, with important applications towards solvent replacement and sustainable manufacturing.

There is great potential to apply machine learning in the area of numerical lattice quantum field theory, but full exploitation of that potential will require new strategies. In this white paper for the Snowmass community planning process, we discuss the unique requirements of machine learning for lattice quantum field theory research and outline what is needed to enable exploration and deployment of this approach in the future.

In agentic scientific machine learning (SciML), large language model (LLM) agents can discover surrogate models and select one by an automated score, typically an error metric. A low error, however, does not establish that the predicted fields satisfy the physics that matter for mechanics, such as boundary conditions, superposition, stiffness scaling, or causality. We introduce Physics-Audited Agentic SciML (PA-SciML), a verification-first workflow for agentic SciML discovery. The workflow fixes a scoring evaluator before search, derives reviewable machine-checkable physics requirements, checks each trained candidate on its outputs, and separately searches prescribed input ranges or measured load-history spans for high-violation cases without reference solution fields. A surrogate is reported as verified only under the stated checks. When enabled, the workflow also adds advisory numerical probes before training and tests one modeling change at a time to record which isolated edits are associated with score gains before reuse. In the reported computational-solid-mechanics numerical examples, the static elasticity run selects a surrogate with lower validation error than the error-only baseline while both selected models pass the common linear-elastic checks. In the transient elastodynamics run, an error-only baseline with similar mean error fails a stricter causality check by responding to future parts of the loading history, while the selected surrogate passes the stated checks. The main distinction is per-candidate physics evidence on predicted fields, not a richer aggregate score.

We introduce Version 3 (V3) of the gridded near real-time Multi-Source Weighted-Ensemble Precipitation (MSWEP) product -- the first fully global, historical machine learning powered precipitation (P) dataset, developed to meet the growing demand for timely and accurate P estimates amid escalating climate challenges. MSWEP V3 provides hourly data at 0.1^circ resolution from 1979 to the present, continuously updated with a latency of approximately two hours. Development follows a two-stage process. First, baseline P fields are generated using machine learning model stacks that integrate satellite- and (re)analysis-based P and air-temperature products, along with static variables. The models are trained using hourly and daily observations from 15,959 P gauges worldwide. Second, these baseline P fields are corrected using daily and monthly gauge observations from 57,666 and 86,000 stations globally. To assess MSWEP V3's baseline performance, we evaluated 19 (quasi-) global gridded P products -- including both uncorrected and gauge-based products -- using observations from an independent set of 15,958 gauges excluded from the first training stage. The MSWEP V3 baseline achieved a median daily Kling-Gupta Efficiency (KGE) of 0.69, outperforming all evaluated products. Other uncorrected products achieved median daily KGE values of 0.61 (ERA5), 0.46 (IMERG-L V7), 0.38 (GSMaP V8), and 0.31 (CHIRP). Using leave-one-out cross-validation, the daily gauge correction was found to improve the median daily correlation by 0.09, constrained by the already strong baseline performance. We anticipate that MSWEP V3 -- accessible at www.gloh2o.org/mswep -- will enable more reliable monitoring, forecasting, and management of water-related risks in a variable and changing climate.

As language models (LMs) become integral to fields like healthcare, law, and journalism, their ability to differentiate between fact, belief, and knowledge is essential for reliable decision-making. Failure to grasp these distinctions can lead to significant consequences in areas such as medical diagnosis, legal judgments, and dissemination of fake news. Despite this, current literature has largely focused on more complex issues such as theory of mind, overlooking more fundamental epistemic challenges. This study systematically evaluates the epistemic reasoning capabilities of modern LMs, including GPT-4, Claude-3, and Llama-3, using a new dataset, KaBLE, consisting of 13,000 questions across 13 tasks. Our results reveal key limitations. First, while LMs achieve 86% accuracy on factual scenarios, their performance drops significantly with false scenarios, particularly in belief-related tasks. Second, LMs struggle with recognizing and affirming personal beliefs, especially when those beliefs contradict factual data, which raises concerns for applications in healthcare and counseling, where engaging with a person's beliefs is critical. Third, we identify a salient bias in how LMs process first-person versus third-person beliefs, performing better on third-person tasks (80.7%) compared to first-person tasks (54.4%). Fourth, LMs lack a robust understanding of the factive nature of knowledge, namely, that knowledge inherently requires truth. Fifth, LMs rely on linguistic cues for fact-checking and sometimes bypass the deeper reasoning. These findings highlight significant concerns about current LMs' ability to reason about truth, belief, and knowledge while emphasizing the need for advancements in these areas before broad deployment in critical sectors.

This paper discusses pairing double/debiased machine learning (DDML) with stacking, a model averaging method for combining multiple candidate learners, to estimate structural parameters. In addition to conventional stacking, we consider two stacking variants available for DDML: short-stacking exploits the cross-fitting step of DDML to substantially reduce the computational burden and pooled stacking enforces common stacking weights over cross-fitting folds. Using calibrated simulation studies and two applications estimating gender gaps in citations and wages, we show that DDML with stacking is more robust to partially unknown functional forms than common alternative approaches based on single pre-selected learners. We provide Stata and R software implementing our proposals.

Based on the established task of identifying boosted, hadronically decaying top quarks, we compare a wide range of modern machine learning approaches. Unlike most established methods they rely on low-level input, for instance calorimeter output. While their network architectures are vastly different, their performance is comparatively similar. In general, we find that these new approaches are extremely powerful and great fun.

Operational forecasting of the ionosphere remains a critical space weather challenge due to sparse observations, complex coupling across geospatial layers, and a growing need for timely, accurate predictions that support Global Navigation Satellite System (GNSS), communications, aviation safety, as well as satellite operations. As part of the 2025 NASA Heliolab, we present a curated, open-access dataset that integrates diverse ionospheric and heliospheric measurements into a coherent, machine learning-ready structure, designed specifically to support next-generation forecasting models and address gaps in current operational frameworks. Our workflow integrates a large selection of data sources comprising Solar Dynamic Observatory data, solar irradiance indices (F10.7), solar wind parameters (velocity and interplanetary magnetic field), geomagnetic activity indices (Kp, AE, SYM-H), and NASA JPL's Global Ionospheric Maps of Total Electron Content (GIM-TEC). We also implement geospatially sparse data such as the TEC derived from the World-Wide GNSS Receiver Network and crowdsourced Android smartphone measurements. This novel heterogeneous dataset is temporally and spatially aligned into a single, modular data structure that supports both physical and data-driven modeling. Leveraging this dataset, we train and benchmark several spatiotemporal machine learning architectures for forecasting vertical TEC under both quiet and geomagnetically active conditions. This work presents an extensive dataset and modeling pipeline that enables exploration of not only ionospheric dynamics but also broader Sun-Earth interactions, supporting both scientific inquiry and operational forecasting efforts.

"Machine unlearning" is a popular proposed solution for mitigating the existence of content in an AI model that is problematic for legal or moral reasons, including privacy, copyright, safety, and more. For example, unlearning is often invoked as a solution for removing the effects of specific information from a generative-AI model's parameters, e.g., a particular individual's personal data or the inclusion of copyrighted content in the model's training data. Unlearning is also proposed as a way to prevent a model from generating targeted types of information in its outputs, e.g., generations that closely resemble a particular individual's data or reflect the concept of "Spiderman." Both of these goals--the targeted removal of information from a model and the targeted suppression of information from a model's outputs--present various technical and substantive challenges. We provide a framework for ML researchers and policymakers to think rigorously about these challenges, identifying several mismatches between the goals of unlearning and feasible implementations. These mismatches explain why unlearning is not a general-purpose solution for circumscribing generative-AI model behavior in service of broader positive impact.

In this community review report, we discuss applications and techniques for fast machine learning (ML) in science -- the concept of integrating power ML methods into the real-time experimental data processing loop to accelerate scientific discovery. The material for the report builds on two workshops held by the Fast ML for Science community and covers three main areas: applications for fast ML across a number of scientific domains; techniques for training and implementing performant and resource-efficient ML algorithms; and computing architectures, platforms, and technologies for deploying these algorithms. We also present overlapping challenges across the multiple scientific domains where common solutions can be found. This community report is intended to give plenty of examples and inspiration for scientific discovery through integrated and accelerated ML solutions. This is followed by a high-level overview and organization of technical advances, including an abundance of pointers to source material, which can enable these breakthroughs.

The advancement of artificial intelligence toward agentic science is currently bottlenecked by the challenge of ultra-long-horizon autonomy, the ability to sustain strategic coherence and iterative correction over experimental cycles spanning days or weeks. While Large Language Models (LLMs) have demonstrated prowess in short-horizon reasoning, they are easily overwhelmed by execution details in the high-dimensional, delayed-feedback environments of real-world research, failing to consolidate sparse feedback into coherent long-term guidance. Here, we present ML-Master 2.0, an autonomous agent that masters ultra-long-horizon machine learning engineering (MLE) which is a representative microcosm of scientific discovery. By reframing context management as a process of cognitive accumulation, our approach introduces Hierarchical Cognitive Caching (HCC), a multi-tiered architecture inspired by computer systems that enables the structural differentiation of experience over time. By dynamically distilling transient execution traces into stable knowledge and cross-task wisdom, HCC allows agents to decouple immediate execution from long-term experimental strategy, effectively overcoming the scaling limits of static context windows. In evaluations on OpenAI's MLE-Bench under 24-hour budgets, ML-Master 2.0 achieves a state-of-the-art medal rate of 56.44%. Our findings demonstrate that ultra-long-horizon autonomy provides a scalable blueprint for AI capable of autonomous exploration beyond human-precedent complexities.

We present the MULTIMODAL UNIVERSE, a large-scale multimodal dataset of scientific astronomical data, compiled specifically to facilitate machine learning research. Overall, the MULTIMODAL UNIVERSE contains hundreds of millions of astronomical observations, constituting 100\,TB of multi-channel and hyper-spectral images, spectra, multivariate time series, as well as a wide variety of associated scientific measurements and "metadata". In addition, we include a range of benchmark tasks representative of standard practices for machine learning methods in astrophysics. This massive dataset will enable the development of large multi-modal models specifically targeted towards scientific applications. All codes used to compile the MULTIMODAL UNIVERSE and a description of how to access the data is available at https://github.com/MultimodalUniverse/MultimodalUniverse

Visual perspective taking (VPT) is the ability to perceive and reason about the perspectives of others. It is an essential feature of human intelligence, which develops over the first decade of life and requires an ability to process the 3D structure of visual scenes. A growing number of reports have indicated that deep neural networks (DNNs) become capable of analyzing 3D scenes after training on large image datasets. We investigated if this emergent ability for 3D analysis in DNNs is sufficient for VPT with the 3D perception challenge (3D-PC): a novel benchmark for 3D perception in humans and DNNs. The 3D-PC is comprised of three 3D-analysis tasks posed within natural scene images: 1. a simple test of object depth order, 2. a basic VPT task (VPT-basic), and 3. another version of VPT (VPT-Strategy) designed to limit the effectiveness of "shortcut" visual strategies. We tested human participants (N=33) and linearly probed or text-prompted over 300 DNNs on the challenge and found that nearly all of the DNNs approached or exceeded human accuracy in analyzing object depth order. Surprisingly, DNN accuracy on this task correlated with their object recognition performance. In contrast, there was an extraordinary gap between DNNs and humans on VPT-basic. Humans were nearly perfect, whereas most DNNs were near chance. Fine-tuning DNNs on VPT-basic brought them close to human performance, but they, unlike humans, dropped back to chance when tested on VPT-perturb. Our challenge demonstrates that the training routines and architectures of today's DNNs are well-suited for learning basic 3D properties of scenes and objects but are ill-suited for reasoning about these properties like humans do. We release our 3D-PC datasets and code to help bridge this gap in 3D perception between humans and machines.

While current vision algorithms excel at many challenging tasks, it is unclear how well they understand the physical dynamics of real-world environments. Here we introduce Physion, a dataset and benchmark for rigorously evaluating the ability to predict how physical scenarios will evolve over time. Our dataset features realistic simulations of a wide range of physical phenomena, including rigid and soft-body collisions, stable multi-object configurations, rolling, sliding, and projectile motion, thus providing a more comprehensive challenge than previous benchmarks. We used Physion to benchmark a suite of models varying in their architecture, learning objective, input-output structure, and training data. In parallel, we obtained precise measurements of human prediction behavior on the same set of scenarios, allowing us to directly evaluate how well any model could approximate human behavior. We found that vision algorithms that learn object-centric representations generally outperform those that do not, yet still fall far short of human performance. On the other hand, graph neural networks with direct access to physical state information both perform substantially better and make predictions that are more similar to those made by humans. These results suggest that extracting physical representations of scenes is the main bottleneck to achieving human-level and human-like physical understanding in vision algorithms. We have publicly released all data and code to facilitate the use of Physion to benchmark additional models in a fully reproducible manner, enabling systematic evaluation of progress towards vision algorithms that understand physical environments as robustly as people do.

What determines the nuclear radio emission in local galaxies? We combine optical [O III] line emission, robust black hole (BH) mass estimates, and high-resolution e-MERLIN 1.5-GHz data, from the LeMMINGs survey, of a statistically-complete sample of 280 nearby, optically active (LINER and Seyfert) and inactive HII and Absorption line galaxies [ALG]) galaxies. Using [O III] luminosity (L_{rm [O~III]}) as a proxy for the accretion power, local galaxies follow distinct sequences in the optical-radio planes of BH activity, which suggest different origins of the nuclear radio emission for the optical classes. The 1.5-GHz radio luminosity of their parsec-scale cores (L_{rm core}) is found to scale with BH mass (M_{rm BH}) and [O~III] luminosity. Below M_{rm BH} sim10^{6.5} M_{odot}, stellar processes from non-jetted HII galaxies dominate with L_{rm core} propto M_{rm BH}^{0.61pm0.33} and L_{rm core} propto L_{rm [O~III]}^{0.79pm0.30}. Above M_{rm BH} sim10^{6.5} M_{odot}, accretion-driven processes dominate with L_{rm core} propto M_{rm BH}^{1.5-1.65} and L_{rm core} propto L_{rm [O~III]}^{0.99-1.31} for active galaxies: radio-quiet/loud LINERs, Seyferts and jetted HII galaxies always display (although low) signatures of radio-emitting BH activity, with L_{rm 1.5, GHz}gtrsim10^{19.8} W Hz^{-1} and M_{rm BH}gtrsim10^{7} M_{odot}, on a broad range of Eddington-scaled accretion rates (m). Radio-quiet and radio-loud LINERs are powered by low-m discs launching sub-relativistic and relativistic jets, respectively. Low-power slow jets and disc/corona winds from moderately high to high-m discs account for the compact and edge-brightened jets of Seyferts, respectively. Jetted HII galaxies may host weakly active BHs. Fuel-starved BHs and recurrent activity account for ALG properties. [abridged]

Sounds carry an abundance of information about activities and events in our everyday environment, such as traffic noise, road works, music, or people talking. Recent machine learning methods, such as convolutional neural networks (CNNs), have been shown to be able to automatically recognize sound activities, a task known as audio tagging. One such method, pre-trained audio neural networks (PANNs), provides a neural network which has been pre-trained on over 500 sound classes from the publicly available AudioSet dataset, and can be used as a baseline or starting point for other tasks. However, the existing PANNs model has a high computational complexity and large storage requirement. This could limit the potential for deploying PANNs on resource-constrained devices, such as on-the-edge sound sensors, and could lead to high energy consumption if many such devices were deployed. In this paper, we reduce the computational complexity and memory requirement of the PANNs model by taking a pruning approach to eliminate redundant parameters from the PANNs model. The resulting Efficient PANNs (E-PANNs) model, which requires 36\% less computations and 70\% less memory, also slightly improves the sound recognition (audio tagging) performance. The code for the E-PANNs model has been released under an open source license.

In order for machine learning to garner widespread public adoption, models must be able to provide interpretable and robust explanations for their decisions, as well as learn from human-provided explanations at train time. In this work, we extend the Stanford Natural Language Inference dataset with an additional layer of human-annotated natural language explanations of the entailment relations. We further implement models that incorporate these explanations into their training process and output them at test time. We show how our corpus of explanations, which we call e-SNLI, can be used for various goals, such as obtaining full sentence justifications of a model's decisions, improving universal sentence representations and transferring to out-of-domain NLI datasets. Our dataset thus opens up a range of research directions for using natural language explanations, both for improving models and for asserting their trust.

Computational materials discovery is limited by the high cost of first-principles calculations. Machine learning (ML) potentials that predict energies from crystal structures are promising, but existing methods face computational bottlenecks. Steerable graph neural networks (GNNs) encode geometry with spherical harmonics, respecting atomic symmetries -- permutation, rotation, and translation -- for physically realistic predictions. Yet maintaining equivariance is difficult: activation functions must be modified, and each layer must handle multiple data types for different harmonic orders. We present Facet, a GNN architecture for efficient ML potentials, developed through systematic analysis of steerable GNNs. Our innovations include replacing expensive multi-layer perceptrons (MLPs) for interatomic distances with splines, which match performance while cutting computational and memory demands. We also introduce a general-purpose equivariant layer that mixes node information via spherical grid projection followed by standard MLPs -- faster than tensor products and more expressive than linear or gate layers. On the MPTrj dataset, Facet matches leading models with far fewer parameters and under 10% of their training compute. On a crystal relaxation task, it runs twice as fast as MACE models. We further show SevenNet-0's parameters can be reduced by over 25% with no accuracy loss. These techniques enable more than 10x faster training of large-scale foundation models for ML potentials, potentially reshaping computational materials discovery.

The study of Ukiyo-e, an important genre of pre-modern Japanese art, focuses on the object and style like other artwork researches. Such study has benefited from the renewed interest by the machine learning community in culturally important topics, leading to interdisciplinary works including collections of images, quantitative approaches, and machine learning-based creativities. They, however, have several drawbacks, and it remains challenging to integrate these works into a comprehensive view. To bridge this gap, we propose a holistic approach We first present a large-scale Ukiyo-e dataset with coherent semantic labels and geometric annotations, then show its value in a quantitative study of Ukiyo-e paintings' object using these labels and annotations. We further demonstrate the machine learning methods could help style study through soft color decomposition of Ukiyo-e, and finally provides joint insights into object and style by composing sketches and colors using colorization. Dataset available at https://github.com/rois-codh/arc-ukiyoe-faces

Neural Machine Translation (NMT) has improved translation by using Transformer-based models, but it still struggles with word ambiguity and context. This problem is especially important in domain-specific applications, which often have problems with unclear sentences or poor data quality. Our research explores how adding information to models can improve translations in the context of e-commerce data. To this end we create ConECT -- a new Czech-to-Polish e-commerce product translation dataset coupled with images and product metadata consisting of 11,400 sentence pairs. We then investigate and compare different methods that are applicable to context-aware translation. We test a vision-language model (VLM), finding that visual context aids translation quality. Additionally, we explore the incorporation of contextual information into text-to-text models, such as the product's category path or image descriptions. The results of our study demonstrate that the incorporation of contextual information leads to an improvement in the quality of machine translation. We make the new dataset publicly available.

This paper introduces Unilogit, a novel self-distillation method for machine unlearning in Large Language Models. Unilogit addresses the challenge of selectively forgetting specific information while maintaining overall model utility, a critical task in compliance with data privacy regulations like GDPR. Unlike prior methods that rely on static hyperparameters or starting model outputs, Unilogit dynamically adjusts target logits to achieve a uniform probability for the target token, leveraging the current model's outputs for more accurate self-distillation targets. This approach not only eliminates the need for additional hyperparameters but also enhances the model's ability to approximate the golden targets. Extensive experiments on public benchmarks and an in-house e-commerce dataset demonstrate Unilogit's superior performance in balancing forget and retain objectives, outperforming state-of-the-art methods such as NPO and UnDIAL. Our analysis further reveals Unilogit's robustness across various scenarios, highlighting its practical applicability and effectiveness in achieving efficacious machine unlearning.

Dark patterns, which are user interface designs in online services, induce users to take unintended actions. Recently, dark patterns have been raised as an issue of privacy and fairness. Thus, a wide range of research on detecting dark patterns is eagerly awaited. In this work, we constructed a dataset for dark pattern detection and prepared its baseline detection performance with state-of-the-art machine learning methods. The original dataset was obtained from Mathur et al.'s study in 2019, which consists of 1,818 dark pattern texts from shopping sites. Then, we added negative samples, i.e., non-dark pattern texts, by retrieving texts from the same websites as Mathur et al.'s dataset. We also applied state-of-the-art machine learning methods to show the automatic detection accuracy as baselines, including BERT, RoBERTa, ALBERT, and XLNet. As a result of 5-fold cross-validation, we achieved the highest accuracy of 0.975 with RoBERTa. The dataset and baseline source codes are available at https://github.com/yamanalab/ec-darkpattern.

Machine translation (MT) has become indispensable for cross-border communication in globalized industries like e-commerce, finance, and legal services, with recent advancements in large language models (LLMs) significantly enhancing translation quality. However, applying general-purpose MT models to industrial scenarios reveals critical limitations due to domain-specific terminology, cultural nuances, and stylistic conventions absent in generic benchmarks. Existing evaluation frameworks inadequately assess performance in specialized contexts, creating a gap between academic benchmarks and real-world efficacy. To address this, we propose a three-level translation capability framework: (1) Basic Linguistic Competence, (2) Domain-Specific Proficiency, and (3) Cultural Adaptation, emphasizing the need for holistic evaluation across these dimensions. We introduce TransBench, a benchmark tailored for industrial MT, initially targeting international e-commerce with 17,000 professionally translated sentences spanning 4 main scenarios and 33 language pairs. TransBench integrates traditional metrics (BLEU, TER) with Marco-MOS, a domain-specific evaluation model, and provides guidelines for reproducible benchmark construction. Our contributions include: (1) a structured framework for industrial MT evaluation, (2) the first publicly available benchmark for e-commerce translation, (3) novel metrics probing multi-level translation quality, and (4) open-sourced evaluation tools. This work bridges the evaluation gap, enabling researchers and practitioners to systematically assess and enhance MT systems for industry-specific needs.

This study compares the performance of AI-generated and human-written product descriptions using a multifaceted evaluation model. We analyze descriptions for 100 products generated by four AI models (Gemma 2B, LLAMA, GPT2, and ChatGPT 4) with and without sample descriptions, against human-written descriptions. Our evaluation metrics include sentiment, readability, persuasiveness, Search Engine Optimization(SEO), clarity, emotional appeal, and call-to-action effectiveness. The results indicate that ChatGPT 4 performs the best. In contrast, other models demonstrate significant shortcomings, producing incoherent and illogical output that lacks logical structure and contextual relevance. These models struggle to maintain focus on the product being described, resulting in disjointed sentences that do not convey meaningful information. This research provides insights into the current capabilities and limitations of AI in the creation of content for e-Commerce.

Online reviews in the form of user-generated content (UGC) significantly impact consumer decision-making. However, the pervasive issue of not only human fake content but also machine-generated content challenges UGC's reliability. Recent advances in Large Language Models (LLMs) may pave the way to fabricate indistinguishable fake generated content at a much lower cost. Leveraging OpenAI's GPT-4-Turbo and DALL-E-2 models, we craft AiGen-FoodReview, a multi-modal dataset of 20,144 restaurant review-image pairs divided into authentic and machine-generated. We explore unimodal and multimodal detection models, achieving 99.80% multimodal accuracy with FLAVA. We use attributes from readability and photographic theories to score reviews and images, respectively, demonstrating their utility as hand-crafted features in scalable and interpretable detection models, with comparable performance. The paper contributes by open-sourcing the dataset and releasing fake review detectors, recommending its use in unimodal and multimodal fake review detection tasks, and evaluating linguistic and visual features in synthetic versus authentic data.

With the huge growth in e-commerce domain, product recommendations have become an increasing field of interest amongst e-commerce companies. One of the more difficult tasks in product recommendations is size and fit predictions. There are a lot of size related returns and refunds in e-fashion domain which causes inconvenience to the customers as well as costs the company. Thus having a good size and fit recommendation system, which can predict the correct sizes for the customers will not only reduce size related returns and refunds but also improve customer experience. Early works in this field used traditional machine learning approaches to estimate customer and product sizes from purchase history. These methods suffered from cold start problem due to huge sparsity in the customer-product data. More recently, people have used deep learning to address this problem by embedding customer and product features. But none of them incorporates valuable customer feedback present on product pages along with the customer and product features. We propose a novel approach which can use information from customer reviews along with customer and product features for size and fit predictions. We demonstrate the effectiveness of our approach compared to using just product and customer features on 4 datasets. Our method shows an improvement of 1.37% - 4.31% in F1 (macro) score over the baseline across the 4 different datasets.

Every day, our inboxes are flooded with unsolicited emails, ranging between annoying spam to more subtle phishing scams. Unfortunately, despite abundant prior efforts proposing solutions achieving near-perfect accuracy, the reality is that countering malicious emails still remains an unsolved dilemma. This "open problem" paper carries out a critical assessment of scientific works in the context of phishing email detection. First, we focus on the benchmark datasets that have been used to assess the methods proposed in research. We find that most prior work relied on datasets containing emails that -- we argue -- are not representative of current trends, and mostly encompass the English language. Based on this finding, we then re-implement and re-assess a variety of detection methods reliant on machine learning (ML), including large-language models (LLM), and release all of our codebase -- an (unfortunately) uncommon practice in related research. We show that most such methods achieve near-perfect performance when trained and tested on the same dataset -- a result which intrinsically hinders development (how can future research outperform methods that are already near perfect?). To foster the creation of "more challenging benchmarks" that reflect current phishing trends, we propose E-PhishGEN, an LLM-based (and privacy-savvy) framework to generate novel phishing-email datasets. We use our E-PhishGEN to create E-PhishLLM, a novel phishing-email detection dataset containing 16616 emails in three languages. We use E-PhishLLM to test the detectors we considered, showing a much lower performance than that achieved on existing benchmarks -- indicating a larger room for improvement. We also validate the quality of E-PhishLLM with a user study (n=30). To sum up, we show that phishing email detection is still an open problem -- and provide the means to tackle such a problem by future research.

1. The popularity of Machine learning (ML), Deep learning (DL), and Artificial intelligence (AI) has risen sharply in recent years. Despite this spike in popularity, the inner workings of ML and DL algorithms are often perceived as opaque, and their relationship to classical data analysis tools remains debated. 2. Although it is often assumed that ML and DL excel primarily at making predictions, ML and DL can also be used for analytical tasks traditionally addressed with statistical models. Moreover, most recent discussions and reviews on ML focus mainly on DL, missing out on synthesizing the wealth of ML algorithms with different advantages and general principles. 3. Here, we provide a comprehensive overview of the field of ML and DL, starting by summarizing its historical developments, existing algorithm families, differences to traditional statistical tools, and universal ML principles. We then discuss why and when ML and DL models excel at prediction tasks and where they could offer alternatives to traditional statistical methods for inference, highlighting current and emerging applications for ecological problems. Finally, we summarize emerging trends such as scientific and causal ML, explainable AI, and responsible AI that may significantly impact ecological data analysis in the future. 4. We conclude that ML and DL are powerful new tools for predictive modeling and data analysis. The superior performance of ML and DL algorithms compared to statistical models can be explained by their higher flexibility and automatic data-dependent complexity optimization. However, their use for causal inference is still disputed as the focus of ML and DL methods on predictions creates challenges for the interpretation of these models. Nevertheless, we expect ML and DL to become an indispensable tool in E&E, comparable to other traditional statistical tools.

Background: Cancer remains one of the leading causes of morbidity and mortality worldwide. Comprehensive datasets that combine histopathological images with genetic and survival data across various tumour sites are essential for advancing computational pathology and personalised medicine. Results: We present SurGen, a dataset comprising 1,020 H&E-stained whole slide images (WSIs) from 843 colorectal cancer cases. The dataset includes detailed annotations for key genetic mutations (KRAS, NRAS, BRAF) and mismatch repair status, as well as survival data for 426 cases. To demonstrate SurGen's practical utility, we conducted a proof-of-concept machine learning experiment predicting mismatch repair status from the WSIs, achieving a test AUROC of 0.8316. These preliminary results underscore the dataset's potential to facilitate research in biomarker discovery, prognostic modelling, and advanced machine learning applications in colorectal cancer. Conclusions: SurGen offers a valuable resource for the scientific community, enabling studies that require high-quality WSIs linked with comprehensive clinical and genetic information on colorectal cancer. Our initial findings affirm the dataset's capacity to advance diagnostic precision and foster the development of personalised treatment strategies in colorectal oncology. Data available online at https://doi.org/10.6019/S-BIAD1285.

Accurate electricity load forecasting is essential for grid stability, resource optimization, and renewable energy integration. While transformer-based deep learning models like TimeGPT have gained traction in time-series forecasting, their effectiveness in long-term electricity load prediction remains uncertain. This study evaluates forecasting models ranging from classical regression techniques to advanced deep learning architectures using data from the ESD 2025 competition. The dataset includes two years of historical electricity load data, alongside temperature and global horizontal irradiance (GHI) across five sites, with a one-day-ahead forecasting horizon. Since actual test set load values remain undisclosed, leveraging predicted values would accumulate errors, making this a long-term forecasting challenge. We employ (i) Principal Component Analysis (PCA) for dimensionality reduction and (ii) frame the task as a regression problem, using temperature and GHI as covariates to predict load for each hour, (iii) ultimately stacking 24 models to generate yearly forecasts. Our results reveal that deep learning models, including TimeGPT, fail to consistently outperform simpler statistical and machine learning approaches due to the limited availability of training data and exogenous variables. In contrast, XGBoost, with minimal feature engineering, delivers the lowest error rates across all test cases while maintaining computational efficiency. This highlights the limitations of deep learning in long-term electricity forecasting and reinforces the importance of model selection based on dataset characteristics rather than complexity. Our study provides insights into practical forecasting applications and contributes to the ongoing discussion on the trade-offs between traditional and modern forecasting methods.

Mobile GUI agents aim to autonomously complete user-instructed tasks across mobile apps. Recent advances in Multimodal Large Language Models (MLLMs) enable these agents to interpret UI screens, identify actionable elements, and perform interactions such as tapping or typing. However, existing agents remain reactive: they reason only over the current screen and lack a structured model of app navigation flow, limiting their ability to understand context, detect unexpected outcomes, and recover from errors. We present MAPLE, a state-aware multi-agent framework that abstracts app interactions as a Finite State Machine (FSM). We computationally model each UI screen as a discrete state and user actions as transitions, allowing the FSM to provide a structured representation of the app execution. MAPLE consists of specialized agents responsible for four phases of task execution: planning, execution, verification, error recovery, and knowledge retention. These agents collaborate to dynamically construct FSMs in real time based on perception data extracted from the UI screen, allowing the GUI agents to track navigation progress and flow, validate action outcomes through pre- and post-conditions of the states, and recover from errors by rolling back to previously stable states. Our evaluation results on two challenging cross-app benchmarks, Mobile-Eval-E and SPA-Bench, show that MAPLE outperforms the state-of-the-art baseline, improving task success rate by up to 12%, recovery success by 13.8%, and action accuracy by 6.5%. Our results highlight the importance of structured state modeling in guiding mobile GUI agents during task execution. Moreover, our FSM representation can be integrated into future GUI agent architectures as a lightweight, model-agnostic memory layer to support structured planning, execution verification, and error recovery.

Social networks have a vast range of applications with graphs. The available benchmark datasets are citation, co-occurrence, e-commerce networks, etc, with classes ranging from 3 to 15. However, there is no benchmark classification social network dataset for graph machine learning. This paper fills the gap and presents the Binary Classification Social Network Dataset (BiSND), designed for graph machine learning applications to predict binary classes. We present the BiSND in tabular and graph formats to verify its robustness across classical and advanced machine learning. We employ a diverse set of classifiers, including four traditional machine learning algorithms (Decision Trees, K-Nearest Neighbour, Random Forest, XGBoost), one Deep Neural Network (multi-layer perceptrons), one Graph Neural Network (Graph Convolutional Network), and three state-of-the-art Graph Contrastive Learning methods (BGRL, GRACE, DAENS). Our findings reveal that BiSND is suitable for classification tasks, with F1-scores ranging from 67.66 to 70.15, indicating promising avenues for future enhancements.

Large Language Models (LLMs) have achieved impressive results in Machine Translation (MT). However, careful evaluations by human reveal that the translations produced by LLMs still contain multiple errors. Importantly, feeding back such error information into the LLMs can lead to self-refinement and result in improved translation performance. Motivated by these insights, we introduce a systematic LLM-based self-refinement translation framework, named TEaR, which stands for Translate, Estimate, and Refine, marking a significant step forward in this direction. Our findings demonstrate that 1) our self-refinement framework successfully assists LLMs in improving their translation quality across a wide range of languages, whether it's from high-resource languages to low-resource ones or whether it's English-centric or centered around other languages; 2) TEaR exhibits superior systematicity and interpretability; 3) different estimation strategies yield varied impacts, directly affecting the effectiveness of the final corrections. Additionally, traditional neural translation models and evaluation models operate separately, often focusing on singular tasks due to their limited capabilities, while general-purpose LLMs possess the capability to undertake both tasks simultaneously. We further conduct cross-model correction experiments to investigate the potential relationship between the translation and evaluation capabilities of general-purpose LLMs. Our code and data are available at https://github.com/fzp0424/self_correct_mt

In this paper we present our work on a case study between Statistical Machien Transaltion (SMT) and Rule-Based Machine Translation (RBMT) systems on English-Indian langugae and Indian to Indian langugae perspective. Main objective of our study is to make a five way performance compariosn; such as, a) SMT and RBMT b) SMT on English-Indian langugae c) RBMT on English-Indian langugae d) SMT on Indian to Indian langugae perspective e) RBMT on Indian to Indian langugae perspective. Through a detailed analysis we describe the Rule Based and the Statistical Machine Translation system developments and its evaluations. Through a detailed error analysis, we point out the relative strengths and weaknesses of both systems. The observations based on our study are: a) SMT systems outperforms RBMT b) In the case of SMT, English to Indian language MT systmes performs better than Indian to English langugae MT systems c) In the case of RBMT, English to Indian langugae MT systems perofrms better than Indian to Englsih Language MT systems d) SMT systems performs better for Indian to Indian language MT systems compared to RBMT. Effectively, we shall see that even with a small amount of training corpus a statistical machine translation system has many advantages for high quality domain specific machine translation over that of a rule-based counterpart.

Same-style products retrieval plays an important role in e-commerce platforms, aiming to identify the same products which may have different text descriptions or images. It can be used for similar products retrieval from different suppliers or duplicate products detection of one supplier. Common methods use the image as the detected object, but they only consider the visual features and overlook the attribute information contained in the textual descriptions, and perform weakly for products in image less important industries like machinery, hardware tools and electronic component, even if an additional text matching module is added. In this paper, we propose a unified vision-language modeling method for e-commerce same-style products retrieval, which is designed to represent one product with its textual descriptions and visual contents. It contains one sampling skill to collect positive pairs from user click log with category and relevance constrained, and a novel contrastive loss unit to model the image, text, and image+text representations into one joint embedding space. It is capable of cross-modal product-to-product retrieval, as well as style transfer and user-interactive search. Offline evaluations on annotated data demonstrate its superior retrieval performance, and online testings show it can attract more clicks and conversions. Moreover, this model has already been deployed online for similar products retrieval in alibaba.com, the largest B2B e-commerce platform in the world.

In computational pathology, automatic nuclei instance segmentation plays an essential role in whole slide image analysis. While many computerized approaches have been proposed for this task, supervised deep learning (DL) methods have shown superior segmentation performances compared to classical machine learning and image processing techniques. However, these models need fully annotated datasets for training which is challenging to acquire, especially in the medical domain. In this work, we release one of the biggest fully manually annotated datasets of nuclei in Hematoxylin and Eosin (H&E)-stained histological images, called NuInsSeg. This dataset contains 665 image patches with more than 30,000 manually segmented nuclei from 31 human and mouse organs. Moreover, for the first time, we provide additional ambiguous area masks for the entire dataset. These vague areas represent the parts of the images where precise and deterministic manual annotations are impossible, even for human experts. The dataset and detailed step-by-step instructions to generate related segmentation masks are publicly available at https://www.kaggle.com/datasets/ipateam/nuinsseg and https://github.com/masih4/NuInsSeg, respectively.

This study uses plasma-profile data from the EUROfusion pedestal database, focusing on the electron-temperature and electron-density profiles in the edge region of H-mode ELMy JET ITER-Like-Wall (ILW) pulses. We make systematic predictions of the electron-temperature pedestal, using the density profiles and engineering parameters of the pulses as inputs. We first present a machine-learning algorithm that, given more inputs than theory-based modelling and 80\% of the database as training data, can reconstruct the remaining 20\% of temperature profiles within 20\% of the experimental values, including accurate estimates of the pedestal width and location. The most important engineering parameters for these predictions are magnetic field strength, particle fuelling rate, plasma current, and strike-point configuration. This confirms the potential of accurate pedestal prediction using large databases. Next, we take a simple theoretical approach assuming a local power-law relationship between the gradients of density (R/L_{n_e}) and temperature (R/L_{T_e}): R/L_{T_e}=Aleft(R/L_{n_e}right)^α with αapprox 0.4 fits well in the steep-gradient region. When A and α are fit independently for each pedestal, a one-to-one correlation emerges, also valid for JET-C data. For α= 1, A equiv η_e, a known control parameter for turbulence in slab-ETG theory. Measured values of η_e in the steep-gradient region lie well above the slab-ETG stability threshold, suggesting a nonlinear threshold shift or a supercritical turbulent state. Finally, we test heat-flux scalings motivated by gyrokinetic simulations, and we provide best-fit parameters for reconstructing JET-ILW pedestals. These models require additional experimental inputs to reach the accuracy of the machine-learning reconstructions.

This paper investigates the problem of interactively learning behaviors communicated by a human teacher using positive and negative feedback. Much previous work on this problem has made the assumption that people provide feedback for decisions that is dependent on the behavior they are teaching and is independent from the learner's current policy. We present empirical results that show this assumption to be false -- whether human trainers give a positive or negative feedback for a decision is influenced by the learner's current policy. Based on this insight, we introduce {\em Convergent Actor-Critic by Humans} (COACH), an algorithm for learning from policy-dependent feedback that converges to a local optimum. Finally, we demonstrate that COACH can successfully learn multiple behaviors on a physical robot.

The majority of galaxies in the local Universe exhibit spiral structure with a variety of forms. Many galaxies possess two prominent spiral arms, some have more, while others display a many-armed flocculent appearance. Spiral arms are associated with enhanced gas content and star-formation in the disks of low-redshift galaxies, so are important in the understanding of star-formation in the local universe. As both the visual appearance of spiral structure, and the mechanisms responsible for it vary from galaxy to galaxy, a reliable method for defining spiral samples with different visual morphologies is required. In this paper, we develop a new debiasing method to reliably correct for redshift-dependent bias in Galaxy Zoo 2, and release the new set of debiased classifications. Using these, a luminosity-limited sample of ~18,000 Sloan Digital Sky Survey spiral galaxies is defined, which are then further sub-categorised by spiral arm number. In order to explore how different spiral galaxies form, the demographics of spiral galaxies with different spiral arm numbers are compared. It is found that whilst all spiral galaxies occupy similar ranges of stellar mass and environment, many-armed galaxies display much bluer colours than their two-armed counterparts. We conclude that two-armed structure is ubiquitous in star-forming disks, whereas many-armed spiral structure appears to be a short-lived phase, associated with more recent, stochastic star-formation activity.

Machine-learned force fields have transformed the atomistic modelling of materials by enabling simulations of ab initio quality on unprecedented time and length scales. However, they are currently limited by: (i) the significant computational and human effort that must go into development and validation of potentials for each particular system of interest; and (ii) a general lack of transferability from one chemical system to the next. Here, using the state-of-the-art MACE architecture we introduce a single general-purpose ML model, trained on a public database of 150k inorganic crystals, that is capable of running stable molecular dynamics on molecules and materials. We demonstrate the power of the MACE-MP-0 model -- and its qualitative and at times quantitative accuracy -- on a diverse set problems in the physical sciences, including the properties of solids, liquids, gases, and chemical reactions. The model can be applied out of the box and as a starting or "foundation model" for any atomistic system of interest and is thus a step towards democratising the revolution of ML force fields by lowering the barriers to entry.

Space biology research aims to understand fundamental effects of spaceflight on organisms, develop foundational knowledge to support deep space exploration, and ultimately bioengineer spacecraft and habitats to stabilize the ecosystem of plants, crops, microbes, animals, and humans for sustained multi-planetary life. To advance these aims, the field leverages experiments, platforms, data, and model organisms from both spaceborne and ground-analog studies. As research is extended beyond low Earth orbit, experiments and platforms must be maximally autonomous, light, agile, and intelligent to expedite knowledge discovery. Here we present a summary of recommendations from a workshop organized by the National Aeronautics and Space Administration on artificial intelligence, machine learning, and modeling applications which offer key solutions toward these space biology challenges. In the next decade, the synthesis of artificial intelligence into the field of space biology will deepen the biological understanding of spaceflight effects, facilitate predictive modeling and analytics, support maximally autonomous and reproducible experiments, and efficiently manage spaceborne data and metadata, all with the goal to enable life to thrive in deep space.

Light emission from galaxies exhibit diverse brightness profiles, influenced by factors such as galaxy type, structural features and interactions with other galaxies. Elliptical galaxies feature more uniform light distributions, while spiral and irregular galaxies have complex, varied light profiles due to their structural heterogeneity and star-forming activity. In addition, galaxies with an active galactic nucleus (AGN) feature intense, concentrated emission from gas accretion around supermassive black holes, superimposed on regular galactic light, while quasi-stellar objects (QSO) are the extreme case of the AGN emission dominating the galaxy. The challenge of identifying AGN and QSO has been discussed many times in the literature, often requiring multi-wavelength observations. This paper introduces a novel approach to identify AGN and QSO from a single image. Diffusion models have been recently developed in the machine-learning literature to generate realistic-looking images of everyday objects. Utilising the spatial resolving power of the Euclid VIS images, we created a diffusion model trained on one million sources, without using any source pre-selection or labels. The model learns to reconstruct light distributions of normal galaxies, since the population is dominated by them. We condition the prediction of the central light distribution by masking the central few pixels of each source and reconstruct the light according to the diffusion model. We further use this prediction to identify sources that deviate from this profile by examining the reconstruction error of the few central pixels regenerated in each source's core. Our approach, solely using VIS imaging, features high completeness compared to traditional methods of AGN and QSO selection, including optical, near-infrared, mid-infrared, and X-rays.

The evolution of mathematics has been guided in part by interestingness. From researchers choosing which problems to tackle next, to students deciding which ones to engage with, people's choices are often guided by judgments about how interesting or challenging problems are likely to be. As AI systems, such as LLMs, increasingly participate in mathematics with people -- whether for advanced research or education -- it becomes important to understand how well their judgments align with human ones. Our work examines this alignment through two empirical studies of human and LLM assessment of mathematical interestingness and difficulty, spanning a range of mathematical experience. We study two groups: participants from a crowdsourcing platform and International Math Olympiad competitors. We show that while many LLMs appear to broadly agree with human notions of interestingness, they mostly do not capture the distribution observed in human judgments. Moreover, most LLMs only somewhat align with why humans find certain math problems interesting, showing weak correlation with human-selected interestingness rationales. Together, our findings highlight both the promises and limitations of current LLMs in capturing human interestingness judgments for mathematical AI thought partnerships.

Human space exploration beyond low Earth orbit will involve missions of significant distance and duration. To effectively mitigate myriad space health hazards, paradigm shifts in data and space health systems are necessary to enable Earth-independence, rather than Earth-reliance. Promising developments in the fields of artificial intelligence and machine learning for biology and health can address these needs. We propose an appropriately autonomous and intelligent Precision Space Health system that will monitor, aggregate, and assess biomedical statuses; analyze and predict personalized adverse health outcomes; adapt and respond to newly accumulated data; and provide preventive, actionable, and timely insights to individual deep space crew members and iterative decision support to their crew medical officer. Here we present a summary of recommendations from a workshop organized by the National Aeronautics and Space Administration, on future applications of artificial intelligence in space biology and health. In the next decade, biomonitoring technology, biomarker science, spacecraft hardware, intelligent software, and streamlined data management must mature and be woven together into a Precision Space Health system to enable humanity to thrive in deep space.

Cluster closure, defined as the progressive filling of gaps between the berries in a grape bunch, is a key trait in vineyard management, impacting disease risk. However, traditional visual scoring methods are labor-intensive, subjective, and lack temporal resolution. Existing datasets rarely support fine-grained berry-level analysis, limiting the development of robust deep learning models. In this work, we present ViViD-5k, a large-scale in-field Vineyard Vision Dataset containing 5,000 images with dense annotations, including over 648,000 berry centroids and cluster segmentation masks spanning 13 grape varieties. Building on this dataset, we introduce GrapeSAM, a two-stage visual pipeline that combines point-based berry localization with prompt-based segmentation using Segment Anything, followed by transformer-based cluster segmentation. The pipeline enables automated, in-field estimation of cluster closure with minimal supervision. Quantitative results demonstrate strong segmentation and counting accuracy across diverse conditions, while visualizations confirm robustness on both in-domain and out-of-domain samples. This work provides a scalable and objective alternative to manual compactness scoring and supports high-throughput grape phenotyping with enhanced spatial detail.

AEC drawings encode geometry and semantics through symbols, layout conventions, and dense annotation, yet it remains unclear whether modern multimodal and vision-language models can reliably interpret this graphical language. We present AECV-Bench, a benchmark for evaluating multimodal and vision-language models on realistic AEC artefacts via two complementary use cases: (i) object counting on 120 high-quality floor plans (doors, windows, bedrooms, toilets), and (ii) drawing-grounded document QA spanning 192 question-answer pairs that test text extraction (OCR), instance counting, spatial reasoning, and comparative reasoning over common drawing regions. Object-counting performance is reported using per-field exact-match accuracy and MAPE results, while document-QA performance is reported using overall accuracy and per-category breakdowns with an LLM-as-a-judge scoring pipeline and targeted human adjudication for edge cases. Evaluating a broad set of state-of-the-art models under a unified protocol, we observe a stable capability gradient; OCR and text-centric document QA are strongest (up to 0.95 accuracy), spatial reasoning is moderate, and symbol-centric drawing understanding - especially reliable counting of doors and windows - remains unsolved (often 0.40-0.55 accuracy) with substantial proportional errors. These results suggest that current systems function well as document assistants but lack robust drawing literacy, motivating domain-specific representations and tool-augmented, human-in-the-loop workflows for an efficient AEC automation.

Despite the progress we have recorded in scaling multilingual machine translation (MT) models and evaluation data to several under-resourced African languages, it is difficult to measure accurately the progress we have made on these languages because evaluation is often performed on n-gram matching metrics like BLEU that often have worse correlation with human judgments. Embedding-based metrics such as COMET correlate better; however, lack of evaluation data with human ratings for under-resourced languages, complexity of annotation guidelines like Multidimensional Quality Metrics (MQM), and limited language coverage of multilingual encoders have hampered their applicability to African languages. In this paper, we address these challenges by creating high-quality human evaluation data with a simplified MQM guideline for error-span annotation and direct assessment (DA) scoring for 13 typologically diverse African languages. Furthermore, we develop AfriCOMET, a COMET evaluation metric for African languages by leveraging DA training data from high-resource languages and African-centric multilingual encoder (AfroXLM-Roberta) to create the state-of-the-art evaluation metric for African languages MT with respect to Spearman-rank correlation with human judgments (+0.406).

Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort to identify emerging patterns in how these systems can be used across the scientific research lifecycle. We organize the projects into two complementary categories: Knowledge Infrastructure, systems that structure, retrieve, synthesize, and validate scientific information; and Action Systems, systems that execute, coordinate, or automate scientific work across computational and experimental environments. The submissions reveal a shift from single-purpose LLM tools toward integrated, multi-agent workflows that combine retrieval, reasoning, tool use, and domain-specific validation. Prominent themes include retrieval-augmented generation as grounding infrastructure, persistent structured knowledge representations, multimodal and multilingual scientific inputs, and early progress toward laboratory-integrated closed-loop systems. Together, these results suggest that LLMs are evolving from general-purpose assistants into composable infrastructure for scientific reasoning and action. This work provides a community snapshot of that transition and a practical taxonomy for understanding emerging LLM-enabled workflows in materials science and chemistry.

We introduce INQUIRE, a text-to-image retrieval benchmark designed to challenge multimodal vision-language models on expert-level queries. INQUIRE includes iNaturalist 2024 (iNat24), a new dataset of five million natural world images, along with 250 expert-level retrieval queries. These queries are paired with all relevant images comprehensively labeled within iNat24, comprising 33,000 total matches. Queries span categories such as species identification, context, behavior, and appearance, emphasizing tasks that require nuanced image understanding and domain expertise. Our benchmark evaluates two core retrieval tasks: (1) INQUIRE-Fullrank, a full dataset ranking task, and (2) INQUIRE-Rerank, a reranking task for refining top-100 retrievals. Detailed evaluation of a range of recent multimodal models demonstrates that INQUIRE poses a significant challenge, with the best models failing to achieve an mAP@50 above 50%. In addition, we show that reranking with more powerful multimodal models can enhance retrieval performance, yet there remains a significant margin for improvement. By focusing on scientifically-motivated ecological challenges, INQUIRE aims to bridge the gap between AI capabilities and the needs of real-world scientific inquiry, encouraging the development of retrieval systems that can assist with accelerating ecological and biodiversity research. Our dataset and code are available at https://inquire-benchmark.github.io

We present a systematic reassessment of 5,062 high-Galactic latitude gamma-ray sources from the Fermi-LAT 4FGL-DR4 catalog using Firmamento, a web-based platform for multi-frequency source discovery and analysis. Our goal is to provide an independent evaluation of LAT gamma-ray source associations through alternative spectral and spatial methods that combine recent and legacy survey data, supplemented by human supervision of spectral energy distributions (SEDs), source morphology, flux variability, and template-based comparisons. Firmamento confirms the 4FGL-DR4 and 4LAC-DR3 counterparts or unassociated sources in 4,493 cases (88.8%), demonstrating the robustness of both approaches. Beyond this general agreement, we identify 421 new blazar counterparts among previously unassociated sources, thereby reducing the fraction of unidentified extragalactic Fermi-LAT sources from 25% to 17%. In addition, in 64 cases we find alternative blazar associations, while in 49 instances we do not confirm the 4FGL-DR4 association. For all confirmed blazar counterparts we provide homogeneous estimates of synchrotron peak frequency and peak flux using machine-learning and template-based methods; these agree with 4LAC-DR3 values in most cases, though significant discrepancies appear for a few dozen sources, often due to improved X-ray coverage. The primary outcome of this work is the 1st Firmamento LAT AGN table (1FLAT), made publicly available through the Firmamento platform (https://firmamento.nyuad.nyu.edu), where all related multi-wavelength data and images are available. The project involved extensive manual validation and benefited from the active participation of graduate and undergraduate students, highlighting the platform's value for both research and education.

The Euclid satellite is an ESA mission that was launched in July 2023. \Euclid is working in its regular observing mode with the target of observing an area of 14,000~deg^2 with two instruments, the Visible Camera (VIS) and the Near IR Spectrometer and Photometer (NISP) down to I_{rm E} = 24.5~mag (10, sigma) in the Euclid Wide Survey. Ground-based imaging data in the ugriz bands complement the \Euclid data to enable photo-z determination and VIS PSF modeling for week lensing analysis. Euclid investigates the distance-redshift relation and the evolution of cosmic structures by measuring shapes and redshifts of galaxies and clusters of galaxies out to zsim 2. Generating the multi-wavelength catalogues from \Euclid and ground-based data is an essential part of the \Euclid data processing system. In the framework of the \Euclid Science Ground Segment (SGS), the aim of the MER Processing Function (PF) pipeline is to detect objects in the \Euclid imaging data, measure their properties, and MERge them into a single multi-wavelength catalogue. The MER PF pipeline performs source detection on both visible (VIS) and near-infrared (NIR) images and offers four different photometric measurements: Kron total flux, aperture photometry on PSF-matched images, template fitting photometry, and S\'ersic fitting photometry. Furthermore, the MER PF pipeline measures a set of ancillary quantities, spanning from morphology to quality flags, to better characterise all detected sources. In this paper, we show how the MER PF pipeline is designed, detailing its main steps, and we show that the pipeline products meet the tight requirements that Euclid aims to achieve on photometric accuracy. We also present the other measurements (e.g. morphology) that are included in the OU-MER output catalogues and we list all output products coming out of the MER PF pipeline.

Using K giants from the second data release (DR2) of the Dark Energy Spectroscopic Instrument (DESI) Milky Way (MW) Survey, we measure the shape, orientation, radial profile, and density anisotropies of the MW stellar halo over 8 kpc<r_GC<200 kpc. We identify a triaxial stellar halo (axes ratio 10:8:7), 43 degrees tilted from the disk, showing two break radii at sim16 kpc and sim76 kpc, likely associated with Gaia-Sausage/Enceladus (GSE) and Large Magellanic Cloud (LMC), respectively. The inner stellar halo (<30 kpc) is oblate and aligned with the disk, whereas the outer stellar halo becomes prolate and perpendicular to the disk, consistent with the Vast Polar Structure of MW satellites. The twisted halo may arise from the disk-halo angular momentum shift triggered by the infall of a massive satellite. The anisotropic density distribution of the stellar halo is also measured, with successful re-identification of the Hercules-Aquila Cloud South/North (HAC-N/-S) and Virgo overdensities (VOD). Break radii are found at 15/30 kpc for VOD/HAC-N(-S). We identify the LMC transient density wake with a break radius at 60 kpc in the Pisces overdensity region. We also find new observational evidence of the LMC collective density wake, by showing a break radius at sim100 kpc in the northern Galactic cap with a clear density peak at 90 kpc. In the end, we found that more metal-poor halo stars are more radially extended. Our results provide important clues to the assembly and evolution of the MW stellar halo under the standard cosmic structure formation framework.

ChatGPT has significantly impacted software development practices, providing substantial assistance to developers in a variety of tasks, including coding, testing, and debugging. Despite its widespread adoption, the impact of ChatGPT as an assistant in collaborative coding remains largely unexplored. In this paper, we analyze a dataset of 210 and 370 developers shared conversations with ChatGPT in GitHub pull requests (PRs) and issues. We manually examined the content of the conversations and characterized the dynamics of the sharing behavior, i.e., understanding the rationale behind the sharing, identifying the locations where the conversations were shared, and determining the roles of the developers who shared them. Our main observations are: (1) Developers seek ChatGPT assistance across 16 types of software engineering inquiries. In both conversations shared in PRs and issues, the most frequently encountered inquiry categories include code generation, conceptual questions, how-to guides, issue resolution, and code review. (2) Developers frequently engage with ChatGPT via multi-turn conversations where each prompt can fulfill various roles, such as unveiling initial or new tasks, iterative follow-up, and prompt refinement. Multi-turn conversations account for 33.2% of the conversations shared in PRs and 36.9% in issues. (3) In collaborative coding, developers leverage shared conversations with ChatGPT to facilitate their role-specific contributions, whether as authors of PRs or issues, code reviewers, or collaborators on issues. Our work serves as the first step towards understanding the dynamics between developers and ChatGPT in collaborative software development and opens up new directions for future research on the topic.

Over the next five years, the Dark Energy Spectroscopic Instrument (DESI) will use 10 spectrographs with 5000 fibers on the 4m Mayall Telescope at Kitt Peak National Observatory to conduct the first Stage-IV dark energy galaxy survey. At z < 0.6, the DESI Bright Galaxy Survey (BGS) will produce the most detailed map of the Universe during the dark energy dominated epoch with redshifts of >10 million galaxies over 14,000 deg^2. In this work, we present and validate the final BGS target selection and survey design. From the Legacy Surveys, BGS will target a r < 19.5 magnitude-limited sample (BGS Bright); a fainter 19.5 < r < 20.175 sample, color-selected to have high redshift efficiency (BGS Faint); and a smaller low-z quasar sample. BGS will observe these targets using exposure times, scaled to achieve uniform completeness, and visit each point on the footprint three times. We use observations from the Survey Validation programs conducted prior to the main survey along with realistic simulations to show that BGS can complete its strategy and make optimal use of `bright' time. We demonstrate that BGS targets have stellar contamination <1% and that their densities do not depend strongly on imaging properties. We also confirm that BGS Bright will achieve >80% fiber assignment efficiency. Finally, we show that BGS Bright and Faint will achieve >95% redshift success rates with no significant dependence on observing conditions. BGS meets the requirements for an extensive range of scientific applications. BGS will yield the most precise Baryon Acoustic Oscillations and Redshift-Space Distortions measurements at z < 0.4. It also presents opportunities to exploit new methods that require highly complete and dense galaxy samples (e.g. N-point statistics, multi-tracers). BGS further provides a powerful tool to study galaxy populations and the relations between galaxies and dark matter.

This work, together with its companion paper, Secco and Samuroff et al. (2021), presents the Dark Energy Survey Year 3 cosmic shear measurements and cosmological constraints based on an analysis of over 100 million source galaxies. With the data spanning 4143 deg^2 on the sky, divided into four redshift bins, we produce the highest significance measurement of cosmic shear to date, with a signal-to-noise of 40. We conduct a blind analysis in the context of the ΛCDM model and find a 3% constraint of the clustering amplitude, S_8equiv σ_8 (Ω_{rm m}/0.3)^{0.5} = 0.759^{+0.025}_{-0.023}. A ΛCDM-Optimized analysis, which safely includes smaller scale information, yields a 2% precision measurement of S_8= 0.772^{+0.018}_{-0.017} that is consistent with the fiducial case. The two low-redshift measurements are statistically consistent with the Planck Cosmic Microwave Background result, however, both recovered S_8 values are lower than the high-redshift prediction by 2.3σ and 2.1σ (p-values of 0.02 and 0.05), respectively. The measurements are shown to be internally consistent across redshift bins, angular scales and correlation functions. The analysis is demonstrated to be robust to calibration systematics, with the S_8 posterior consistent when varying the choice of redshift calibration sample, the modeling of redshift uncertainty and methodology. Similarly, we find that the corrections included to account for the blending of galaxies shifts our best-fit S_8 by 0.5σ without incurring a substantial increase in uncertainty. We examine the limiting factors for the precision of the cosmological constraints and find observational systematics to be subdominant to the modeling of astrophysics. Specifically, we identify the uncertainties in modeling baryonic effects and intrinsic alignments as the limiting systematics.

We use the Wide Field Camera 3 (WFC3) on the Hubble Space Telescope (HST) to reduce the uncertainty in the local value of the Hubble constant (H_0) from 3.3% to 2.4%. Improvements come from new, near-infrared observations of Cepheid variables in 11 new hosts of recent SNe~Ia, more than doubling the sample of SNe~Ia having a Cepheid-calibrated distance for a total of 19; these leverage the magnitude-z relation based on 300 SNe~Ia at z<0.15. All 19 hosts and the megamaser system NGC4258 were observed with WFC3, thus nullifying cross-instrument zeropoint errors. Other improvements include a 33% reduction in the systematic uncertainty in the maser distance to NGC4258, more Cepheids and a more robust distance to the LMC from late-type DEBs, HST observations of Cepheids in M31, and new HST-based trigonometric parallaxes for Milky Way (MW) Cepheids. We consider four geometric distance calibrations of Cepheids: (i) megamasers in NGC4258, (ii) 8 DEBs in the LMC, (iii) 15 MW Cepheids with parallaxes, and (iv) 2 DEBs in M31. H_0 from each is 72.25+/-2.51, 72.04+/-2.67, 76.18+/-2.37, and 74.50+/-3.27 km/sec/Mpc, respectively. Our best estimate of 73.24+/-1.74 km/sec/Mpc combines the anchors NGC4258, MW, and LMC, and includes systematic errors for a final uncertainty of 2.4%. This value is 3.4 sigma higher than 66.93+/-0.62 km/sec/Mpc predicted by LambdaCDM with 3 neutrinos with mass 0.06 eV and the Planck data, but reduces to 2.1 sigma relative to the prediction of 69.3+/-0.7 km/sec/Mpc with the combination of WMAP+ACT+SPT+BAO, suggesting systematic uncertainties in CMB measurements may play a role in the tension. If we take the conflict between Planck and H_0 at face value, one plausible explanation could involve an additional source of dark radiation in the early Universe in the range of Delta N_eff=0.4-1. We anticipate significant improvements in H_0 from upcoming parallax measurements.

Young exoplanets provide a critical link between understanding planet formation and atmospheric evolution. Direct imaging spectroscopy allows us to infer the properties of young, wide orbit, giant planets with high signal-to-noise. This allows us to compare this young population to exoplanets characterized with transmission spectroscopy, which has indirectly revealed the presence of clouds, photochemistry, and a diversity of atmospheric compositions. Direct detections have also been made for brown dwarfs, but direct studies of young giant planets in the mid-infrared were not possible prior to JWST. With two exoplanets around a solar type star, the YSES-1 system is an ideal laboratory for studying this early phase of exoplanet evolution. We report the first direct observations of silicate clouds in the atmosphere of the exoplanet YSES-1 c through its 9-11 micron absorption feature, and the first circumplanetary disk silicate emission around its sibling planet, YSES-1 b. The clouds of YSES-1 c are composed of either amorphous iron-enriched pyroxene or a combination of amorphous MgSiO3 and Mg2SiO4, with particle sizes of less than or equal to 0.1 micron at 1 millibar of pressure. We attribute the emission from the disk around YSES-1 b to be from submicron olivine dust grains, which may have formed through collisions of planet-forming bodies in the disk.

The recently launched James Webb Space Telescope (JWST) is opening new observing windows on the distant universe. Among JWST's instruments, the Mid Infrared Instrument (MIRI) offers the unique capability of imaging observations at wavelengths lambda > 5mum. This enables unique access to the rest frame near infra-red (NIR, lambda ge 1\mum) emission from galaxies at redshifts z>4 and the visual (lambda gtrsim 5000\AA) rest frame for z>9. We here report on the guaranteed time observations (GTO) from the MIRI European Consortium, of the Hubble Ultra Deep Field (HUDF), forming the MIRI Deep Imaging Survey (MIDIS), consisting of an on source integration time of sim41 hours in the MIRI/F560W (5.6 mum) filter. To our knowledge, this constitutes the longest single filter exposure obtained with JWST of an extragalactic field as yet.

Ongoing and upcoming galaxy redshift surveys, such as the Dark Energy Spectroscopic Instrument (DESI) survey, will observe vast regions of sky and a wide range of redshifts. In order to model the observations and address various systematic uncertainties, N-body simulations are routinely adopted, however, the number of large simulations with sufficiently high mass resolution is usually limited by available computing time. Therefore, achieving a simulation volume with the effective statistical errors significantly smaller than those of the observations becomes prohibitively expensive. In this study, we apply the Convergence Acceleration by Regression and Pooling (CARPool) method to mitigate the sample variance of the DESI-like galaxy clustering in the AbacusSummit simulations, with the assistance of the quasi-N-body simulations FastPM. Based on the halo occupation distribution (HOD) models, we construct different FastPM galaxy catalogs, including the luminous red galaxies (LRGs), emission line galaxies (ELGs), and quasars, with their number densities and two-point clustering statistics well matched to those of AbacusSummit. We also employ the same initial conditions between AbacusSummit and FastPM to achieve high cross-correlation, as it is useful in effectively suppressing the variance. Our method of reducing noise in clustering is equivalent to performing a simulation with volume larger by a factor of 5 and 4 for LRGs and ELGs, respectively. We also mitigate the standard deviation of the LRG bispectrum with the triangular configurations k_2=2k_1=0.2 h/Mpc by a factor of 1.6. With smaller sample variance on galaxy clustering, we are able to constrain the baryon acoustic oscillations (BAO) scale parameters to higher precision. The CARPool method will be beneficial to better constrain the theoretical systematics of BAO, redshift space distortions (RSD) and primordial non-Gaussianity (NG).

We present griz light curves of 251 Type Ia Supernovae (SNe Ia) from the first 3 years of the Dark Energy Survey Supernova Program's (DES-SN) spectroscopically classified sample. The photometric pipeline described in this paper produces the calibrated fluxes and associated uncertainties used in the cosmological parameter analysis (Brout et al. 2018-SYS, DES Collaboration et al. 2018) by employing a scene modeling approach that simultaneously forward models a variable transient flux and temporally constant host galaxy. We inject artificial point sources onto DECam images to test the accuracy of our photometric method. Upon comparison of input and measured artificial supernova fluxes, we find flux biases peak at 3 mmag. We require corrections to our photometric uncertainties as a function of host galaxy surface brightness at the transient location, similar to that seen by the DES Difference Imaging Pipeline used to discover transients. The public release of the light curves can be found at https://des.ncsa.illinois.edu/releases/sn.

We present an overview of a new integral field spectroscopic survey called MaNGA (Mapping Nearby Galaxies at Apache Point Observatory), one of three core programs in the fourth-generation Sloan Digital Sky Survey (SDSS-IV) that began on 2014 July 1. MaNGA will investigate the internal kinematic structure and composition of gas and stars in an unprecedented sample of 10,000 nearby galaxies. We summarize essential characteristics of the instrument and survey design in the context of MaNGA's key science goals and present prototype observations to demonstrate MaNGA's scientific potential. MaNGA employs dithered observations with 17 fiber-bundle integral field units that vary in diameter from 12" (19 fibers) to 32" (127 fibers). Two dual-channel spectrographs provide simultaneous wavelength coverage over 3600-10300 A at R~2000. With a typical integration time of 3 hr, MaNGA reaches a target r-band signal-to-noise ratio of 4-8 (per A, per 2" fiber) at 23 AB mag per sq. arcsec, which is typical for the outskirts of MaNGA galaxies. Targets are selected with stellar mass greater than 1e9 Msun using SDSS-I redshifts and i-band luminosity to achieve uniform radial coverage in terms of the effective radius, an approximately flat distribution in stellar mass, and a sample spanning a wide range of environments. Analysis of our prototype observations demonstrates MaNGA's ability to probe gas ionization, shed light on recent star formation and quenching, enable dynamical modeling, decompose constituent components, and map the composition of stellar populations. MaNGA's spatially resolved spectra will enable an unprecedented study of the astrophysics of nearby galaxies in the coming 6 yr.