Daily Papers

We placed a modern AI coding assistant in an unintended role: as the mind of a body on an unknown digital island. With only a minimal instruction mentioning no specific task, reward, or activity, the machine started animating its virtual body. Across thirty-hour runs, the embodied AI agent climbed hills, stacked blocks into towers, drew mandalas, reinterpreted sports, ran experiments on the physics of its world, and learned techniques that later expanded what it could accomplish. These activities recurred across thirteen agents but diverged into distinct histories. We examine whether this behavior satisfies classical criteria for play and ask whether play can become a mode of machine development.

We have seen in the past years the flourishing of machine and deep learning algorithms in several applications such as image classification and segmentation, object detection and recognition, among many others. This was only possible, in part, because datasets like ImageNet -- with +14 million labeled images -- were created and made publicly available, providing researches with a common ground to compare their advances and extend the state-of-the-art. Although we have seen an increasing interest in machine learning in geosciences as well, we will only be able to achieve a significant impact in our community if we collaborate to build such a common basis. This is even more difficult when it comes to the Oil&Gas industry, in which confidentiality and commercial interests often hinder the sharing of datasets with others. In this letter, we present the Penobscot interpretation dataset, our contribution to the development of machine learning in geosciences, more specifically in seismic interpretation. The Penobscot 3D seismic dataset was acquired in the Scotian shelf, offshore Nova Scotia, Canada. The data is publicly available and comprises pre- and pos-stack data, 5 horizons and well logs of 2 wells. However, for the dataset to be of practical use for our tasks, we had to reinterpret the seismic, generating 7 horizons separating different seismic facies intervals. The interpreted horizons were used to generated +100,000 labeled images for inlines and crosslines. To demonstrate the utility of our dataset, results of two experiments are presented.

Large language models write correct code for isolated problems but remain far weaker at autonomous machine-learning development, where an agent must revise data pipelines, models, and validation over hours of feedback, and on most competitions still finishes below strong human competitors. Outcome-based benchmarks record this gap but not its cause, because they grade the final submission and discard the development process behind it. We introduce TraceML, which pairs human and agent work on the same competitions under one version-level schema: 4,465 human Kaggle trajectories across 134 competitions, seven of which are also worked by two agent scaffolds, giving 430 paired human and 207 agent trajectories. Every code version carries its score, its timestamp, and labels for the action taken, its intent, the edit size, and the score effect. Read this way, the gap becomes concrete. Experts alternate data work, validation, model changes, and ensembling, and return to approaches they had set aside. Each agent scaffold instead collapses into a narrow loop: Codex spends its steps re-weighting ensembles and tuning submissions, MLEvolve mutates its model in place, and neither pivots at the human rate nor reopens abandoned work. A short planning prompt distilled from human practice moves the behaviors it names toward the human profile and lifts scores, but the effort profile stays agent-shaped: instruction closes only the part of the gap that reduces to instructions. We release the corpus, the schema, the labelers, and the extraction pipeline at https://huggingface.co/datasets/jerryyan/TraceML.

The trustworthiness of machine learning has emerged as a critical topic in the field, encompassing various applications and research areas such as robustness, security, interpretability, and fairness. The last decade saw the development of numerous methods addressing these challenges. In this survey, we systematically review these advancements from a data-centric perspective, highlighting the shortcomings of traditional empirical risk minimization (ERM) training in handling challenges posed by the data. Interestingly, we observe a convergence of these methods, despite being developed independently across trustworthy machine learning subfields. Pearl's hierarchy of causality offers a unifying framework for these techniques. Accordingly, this survey presents the background of trustworthy machine learning development using a unified set of concepts, connects this language to Pearl's causal hierarchy, and finally discusses methods explicitly inspired by causality literature. We provide a unified language with mathematical vocabulary to link these methods across robustness, adversarial robustness, interpretability, and fairness, fostering a more cohesive understanding of the field. Further, we explore the trustworthiness of large pretrained models. After summarizing dominant techniques like fine-tuning, parameter-efficient fine-tuning, prompting, and reinforcement learning with human feedback, we draw connections between them and the standard ERM. This connection allows us to build upon the principled understanding of trustworthy methods, extending it to these new techniques in large pretrained models, paving the way for future methods. Existing methods under this perspective are also reviewed. Lastly, we offer a brief summary of the applications of these methods and discuss potential future aspects related to our survey. For more information, please visit http://trustai.one.

Large language model (LLM) agents are increasingly capable of automating components of machine learning development, yet existing biomedical benchmarks mainly focus on question answering, reasoning, and tool usage, or evaluate only narrow aspects of biomedical ML coding. We present BioXArena, a biomedical machine learning benchmark designed to evaluate whether agents can generate task-specific model training pipelines for heterogeneous and multi-modal biomedical datasets. BioXArena contains 76 end-to-end tasks across 9 domains, including sequence modeling, single-cell analysis, structural biology, network biology, chemical biology, perturbation dynamics, phenotype-disease modeling, biomedical imaging, and text-integrated learning. Each task is curated from primary biomedical sources into a unified evaluation framework with hidden labels, held-out graders, and biology-aware metrics normalized to a 0 to 1 scale. Agents are required to write executable code, train predictive models, and generate submissions for private test samples. Most tasks involve multiple input modalities, including tabular data, images, natural language, molecular sequences, omics matrices, and protein structures. We evaluate 11 agent configurations in a standardized 2-hour single-GPU environment. MLEvolve with Gemini-3.1-Pro achieves the highest average score of 0.666, followed by GPT-5.4 with 0.636, while no single agent consistently dominates across all domains. We additionally perform extensive ablation studies, robustness evaluations, scaling analyses, cost analyses, and failure-mode investigations to better understand how model backbones, agent scaffolds, inference budgets, and biomedical domains influence BioML coding performance. We will publicly release all benchmark tasks, graders, execution runners, leaderboard results, and agent trajectories.

In this report, we present ML-Dev-Bench, a benchmark aimed at testing agentic capabilities on applied Machine Learning development tasks. While existing benchmarks focus on isolated coding tasks or Kaggle-style competitions, ML-Dev-Bench tests agents' ability to handle the full complexity of ML development workflows. The benchmark assesses performance across critical aspects including dataset handling, model training, improving existing models, debugging, and API integration with popular ML tools. We evaluate three agents - ReAct, Openhands, and AIDE - on a diverse set of 30 tasks, providing insights into their strengths and limitations in handling practical ML development challenges. We open source the benchmark for the benefit of the community at https://github.com/ml-dev-bench/ml-dev-bench{https://github.com/ml-dev-bench/ml-dev-bench}.

Model-sharing platforms, such as Hugging Face, ModelScope, and OpenCSG, have become central to modern machine learning development, enabling developers to share, load, and fine-tune pre-trained models with minimal effort. However, the flexibility of these ecosystems introduces a critical security concern: the execution of untrusted code during model loading (i.e., via trust_remote_code or trust_repo). In this work, we conduct the first large-scale empirical study of custom model loading practices across five major model-sharing platforms to assess their prevalence, associated risks, and developer perceptions. We first quantify the frequency with which models require custom code to function and identify those that execute arbitrary Python files during loading. We then apply three complementary static analysis tools: Bandit, CodeQL, and Semgrep, to detect security smells and potential vulnerabilities, categorizing our findings by CWE identifiers to provide a standardized risk taxonomy. We also use YARA to identify malicious patterns and payload signatures. In parallel, we systematically analyze the documentation, API design, and safety mechanisms of each platform to understand their mitigation strategies and enforcement levels. Finally, we conduct a qualitative analysis of over 600 developer discussions from GitHub, Hugging Face, and PyTorch Hub forums, as well as Stack Overflow, to capture community concerns and misconceptions regarding security and usability. Our findings reveal widespread reliance on unsafe defaults, uneven security enforcement across platforms, and persistent confusion among developers about the implications of executing remote code. We conclude with actionable recommendations for designing safer model-sharing infrastructures and striking a balance between usability and security in future AI ecosystems.

Machine learning development critically depends on access to high-quality data. However, increasing restrictions due to privacy, proprietary interests, and ethical concerns have created significant barriers to data accessibility. Synthetic data offers a viable solution by enabling safe, broad data usage without compromising sensitive information. This paper presents the MOSTLY AI Synthetic Data Software Development Kit (SDK), an open-source toolkit designed specifically for synthesizing high-quality tabular data. The SDK integrates robust features such as differential privacy guarantees, fairness-aware data generation, and automated quality assurance into a flexible and accessible Python interface. Leveraging the TabularARGN autoregressive framework, the SDK supports diverse data types and complex multi-table and sequential datasets, delivering competitive performance with notable improvements in speed and usability. Currently deployed both as a cloud service and locally installable software, the SDK has seen rapid adoption, highlighting its practicality in addressing real-world data bottlenecks and promoting widespread data democratization.

Machine translation evaluation is a very important activity in machine translation development. Automatic evaluation metrics proposed in literature are inadequate as they require one or more human reference translations to compare them with output produced by machine translation. This does not always give accurate results as a text can have several different translations. Human evaluation metrics, on the other hand, lacks inter-annotator agreement and repeatability. In this paper we have proposed a new human evaluation metric which addresses these issues. Moreover this metric also provides solid grounds for making sound assumptions on the quality of the text produced by a machine translation.

Automated machine learning (AutoML) is a collection of techniques designed to automate the machine learning development process. While traditional AutoML approaches have been successfully applied in several critical steps of model development (e.g. hyperparameter optimization), there lacks a AutoML system that automates the entire end-to-end model production workflow. To fill this blank, we present AutoMMLab, a general-purpose LLM-empowered AutoML system that follows user's language instructions to automate the whole model production workflow for computer vision tasks. The proposed AutoMMLab system effectively employs LLMs as the bridge to connect AutoML and OpenMMLab community, empowering non-expert individuals to easily build task-specific models via a user-friendly language interface. Specifically, we propose RU-LLaMA to understand users' request and schedule the whole pipeline, and propose a novel LLM-based hyperparameter optimizer called HPO-LLaMA to effectively search for the optimal hyperparameters. Experiments show that our AutoMMLab system is versatile and covers a wide range of mainstream tasks, including classification, detection, segmentation and keypoint estimation. We further develop a new benchmark, called LAMP, for studying key components in the end-to-end prompt-based model training pipeline. Code, model, and data will be released.

LLM failures in causal reasoning, including sycophancy, rung collapse, and miscalibrated refusal, are well-documented, yet progress on remediation is slow because no benchmark enables systematic diagnosis. We introduce CausalT5K, a diagnostic benchmark of over 5,000 cases across 10 domains that tests three critical capabilities: (1) detecting rung collapse, where models answer interventional queries with associational evidence; (2) resisting sycophantic drift under adversarial pressure; and (3) generating Wise Refusals that specify missing information when evidence is underdetermined. Unlike synthetic benchmarks, CausalT5K embeds causal traps in realistic narratives and decomposes performance into Utility (sensitivity) and Safety (specificity), revealing failure modes invisible to aggregate accuracy. Developed through a rigorous human-machine collaborative pipeline involving 40 domain experts, iterative cross-validation cycles, and composite verification via rule-based, LLM, and human scoring, CausalT5K implements Pearl's Ladder of Causation as research infrastructure. Preliminary experiments reveal a Four-Quadrant Control Landscape where static audit policies universally fail, a finding that demonstrates CausalT5K's value for advancing trustworthy reasoning systems. Repository: https://github.com/genglongling/CausalT5kBench

We describe a library of mathematical finance built in the Lean 4 proof assistant, on top of Mathlib and the BrownianMotion package. It is broad: more than two hundred sorry-free theorems across eleven areas, from the measure-theoretic foundations of continuous-time stochastic calculus through derivative pricing to applied risk, portfolio, and fixed-income theory, and, to our knowledge, the most comprehensive machine-checked development of mathematical finance to date. Breadth is the setting, not the point. Two things make it more than a catalogue. It reaches into the continuous theory far enough to construct the L2 Itô integral as a bounded linear isometry and to derive, rather than assume, the risk-neutral pricing measure. And it audits its own faithfulness: every result is classified by how its Lean statement relates to the mathematics it claims, and a build-enforced gate pins the axioms each proof actually uses, so a reader can see precisely what has been proved and what has only been proved under added hypotheses. We close with a candid finding: a formal base over classical financial mathematics yields certified unification of known results rather than new financial theory. The contribution is therefore methodological and infrastructural, reusable verified foundations for mathematical finance, together with the faithfulness audit.

Currently, most machine learning models are trained by centralized teams and are rarely updated. In contrast, open-source software development involves the iterative development of a shared artifact through distributed collaboration using a version control system. In the interest of enabling collaborative and continual improvement of machine learning models, we introduce Git-Theta, a version control system for machine learning models. Git-Theta is an extension to Git, the most widely used version control software, that allows fine-grained tracking of changes to model parameters alongside code and other artifacts. Unlike existing version control systems that treat a model checkpoint as a blob of data, Git-Theta leverages the structure of checkpoints to support communication-efficient updates, automatic model merges, and meaningful reporting about the difference between two versions of a model. In addition, Git-Theta includes a plug-in system that enables users to easily add support for new functionality. In this paper, we introduce Git-Theta's design and features and include an example use-case of Git-Theta where a pre-trained model is continually adapted and modified. We publicly release Git-Theta in hopes of kickstarting a new era of collaborative model development.

Automating the development of machine learning algorithms has the potential to unlock new breakthroughs. However, our ability to improve and evaluate algorithm discovery systems has thus far been limited by existing task suites. They suffer from many issues, such as: poor evaluation methodologies; data contamination; and containing saturated or very similar problems. Here, we introduce DiscoGen, a procedural generator of algorithm discovery tasks for machine learning, such as developing optimisers for reinforcement learning or loss functions for image classification. Motivated by the success of procedural generation in reinforcement learning, DiscoGen spans millions of tasks of varying difficulty and complexity from a range of machine learning fields. These tasks are specified by a small number of configuration parameters and can be used to optimise algorithm discovery agents (ADAs). We present DiscoBench, a benchmark consisting of a fixed, small subset of DiscoGen tasks for principled evaluation of ADAs. Finally, we propose a number of ambitious, impactful research directions enabled by DiscoGen, in addition to experiments demonstrating its use for prompt optimisation of an ADA. DiscoGen is released open-source at https://github.com/AlexGoldie/discogen.

In recent years, Large Language Models (LLMs) have achieved remarkable advancements, drawing significant attention from the research community. Their capabilities are largely attributed to large-scale architectures, which require extensive training on massive datasets. However, such datasets often contain sensitive or copyrighted content sourced from the public internet, raising concerns about data privacy and ownership. Regulatory frameworks, such as the General Data Protection Regulation (GDPR), grant individuals the right to request the removal of such sensitive information. This has motivated the development of machine unlearning algorithms that aim to remove specific knowledge from models without the need for costly retraining. Despite these advancements, evaluating the efficacy of unlearning algorithms remains a challenge due to the inherent complexity and generative nature of LLMs. In this work, we introduce a comprehensive auditing framework for unlearning evaluation, comprising three benchmark datasets, six unlearning algorithms, and five prompt-based auditing methods. By using various auditing algorithms, we evaluate the effectiveness and robustness of different unlearning strategies. To explore alternatives beyond prompt-based auditing, we propose a novel technique that leverages intermediate activation perturbations, addressing the limitations of auditing methods that rely solely on model inputs and outputs.

The San Andreas Fault system, known for its frequent seismic activity, provides an extensive dataset for earthquake studies. The region's well-instrumented seismic networks have been crucial in advancing research on earthquake statistics, physics, and subsurface Earth structures. In recent years, earthquake data from California has become increasingly valuable for deep learning applications, such as Generalized Phase Detection (GPD) for phase detection and polarity determination, and PhaseNet for phase arrival-time picking. The continuous accumulation of data, particularly those manually labeled by human analysts, serves as an essential resource for advancing both regional and global deep learning models. To support the continued development of machine learning and data mining studies, we have compiled a unified California Earthquake Event Dataset (CEED) that integrates seismic records from the Northern California Earthquake Data Center (NCEDC) and the Southern California Earthquake Data Center (SCEDC). The dataset includes both automatically and manually determined parameters such as earthquake origin time, source location, P/S phase arrivals, first-motion polarities, and ground motion intensity measurements. The dataset is organized in an event-based format organized by year spanning from 2000 to 2024, facilitating cross-referencing with event catalogs and enabling continuous updates in future years. This comprehensive open-access dataset is designed to support diverse applications including developing deep learning models, creating enhanced catalog products, and research into earthquake processes, fault zone structures, and seismic risks.

Despite considerable progress in the development of machine-text detectors, the ease with which machine-text can be manipulated to evade detection has led to suggestions that the problem is inherently intractable. In this work, we investigate the limits of such evasion strategies. We demonstrate that while current attacks, ranging from prompt engineering to detector-guided optimization can effectively degrade performance of standard detectors, they fail to erase the underlying stylistic "fingerprints" of machine text. We show that few-shot detectors that utilize the stylistic feature space are robust to these evasion attempts, reliably detecting samples even from models explicitly tuned to prevent detection. This raises the question: does style represent a universal defense against machine-detection attacks? We demonstrate that the answer is "no'' by introducing a novel paraphrasing approach that simultaneously optimizes for undetectability and adherence to specific human styles. We show that unlike prior methods, this attack effectively evades all considered detectors, including those that utilize writing style. However, we find that this evasion is not absolute: as the number of documents available for analysis grows, the human and machine distributions become distinguishable again. Overall, our findings suggest that reliable machine-text detection requires moving beyond single-document analysis to multi-document analysis.

The undesired memorization of sensitive information by Large Language Models (LLMs) has emphasized the need for safety mechanisms that can regulate model behavior. This has led to the development of machine unlearning techniques that enable models to precisely forget sensitive and unwanted information. For machine unlearning, first-order and second-order optimizer-based methods have shown significant progress in enabling LLMs to forget targeted information. However, in doing so, these approaches often compromise the model's original capabilities, resulting in unlearned models that struggle to retain their prior knowledge and overall utility. To address this, we propose Selective Influence Machine Unlearning (SIMU), a two-step framework that enhances second-order optimizer-based unlearning by selectively updating only the critical neurons responsible for encoding the forget-set. By constraining updates to these targeted neurons, SIMU achieves comparable unlearning efficacy while substantially outperforming current methods in retaining the model's original knowledge.

This review gives an overview of the development of machine learning in geoscience. A thorough analysis of the co-developments of machine learning applications throughout the last 70 years relates the recent enthusiasm for machine learning to developments in geoscience. I explore the shift of kriging towards a mainstream machine learning method and the historic application of neural networks in geoscience, following the general trend of machine learning enthusiasm through the decades. Furthermore, this chapter explores the shift from mathematical fundamentals and knowledge in software development towards skills in model validation, applied statistics, and integrated subject matter expertise. The review is interspersed with code examples to complement the theoretical foundations and illustrate model validation and machine learning explainability for science. The scope of this review includes various shallow machine learning methods, e.g. Decision Trees, Random Forests, Support-Vector Machines, and Gaussian Processes, as well as, deep neural networks, including feed-forward neural networks, convolutional neural networks, recurrent neural networks and generative adversarial networks. Regarding geoscience, the review has a bias towards geophysics but aims to strike a balance with geochemistry, geostatistics, and geology, however excludes remote sensing, as this would exceed the scope. In general, I aim to provide context for the recent enthusiasm surrounding deep learning with respect to research, hardware, and software developments that enable successful application of shallow and deep machine learning in all disciplines of Earth science.

This paper investigates to identify the requirement and the development of machine learning-based mobile big data analysis through discussing the insights of challenges in the mobile big data (MBD). Furthermore, it reviews the state-of-the-art applications of data analysis in the area of MBD. Firstly, we introduce the development of MBD. Secondly, the frequently adopted methods of data analysis are reviewed. Three typical applications of MBD analysis, namely wireless channel modeling, human online and offline behavior analysis, and speech recognition in the internet of vehicles, are introduced respectively. Finally, we summarize the main challenges and future development directions of mobile big data analysis.

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.

Machine learning has emerged as a powerful solution to the modern challenges in accelerator physics. However, the limited availability of beam time, the computational cost of simulations, and the high-dimensionality of optimisation problems pose significant challenges in generating the required data for training state-of-the-art machine learning models. In this work, we introduce Cheetah, a PyTorch-based high-speed differentiable linear-beam dynamics code. Cheetah enables the fast collection of large data sets by reducing computation times by multiple orders of magnitude and facilitates efficient gradient-based optimisation for accelerator tuning and system identification. This positions Cheetah as a user-friendly, readily extensible tool that integrates seamlessly with widely adopted machine learning tools. We showcase the utility of Cheetah through five examples, including reinforcement learning training, gradient-based beamline tuning, gradient-based system identification, physics-informed Bayesian optimisation priors, and modular neural network surrogate modelling of space charge effects. The use of such a high-speed differentiable simulation code will simplify the development of machine learning-based methods for particle accelerators and fast-track their integration into everyday operations of accelerator facilities.

In the field of neural data compression, the prevailing focus has been on optimizing algorithms for either classical distortion metrics, such as PSNR or SSIM, or human perceptual quality. With increasing amounts of data consumed by machines rather than humans, a new paradigm of machine-oriented compressionx2013which prioritizes the retention of features salient for machine perception over traditional human-centric criteriax2013has emerged, creating several new challenges to the development, evaluation, and deployment of systems utilizing lossy compression. In particular, it is unclear how different approaches to lossy compression will affect the performance of downstream machine perception tasks. To address this under-explored area, we evaluate various perception modelsx2013including image classification, image segmentation, speech recognition, and music source separationx2013under severe lossy compression. We utilize several popular codecs spanning conventional, neural, and generative compression architectures. Our results indicate three key findings: (1) using generative compression, it is feasible to leverage highly compressed data while incurring a negligible impact on machine perceptual quality; (2) machine perceptual quality correlates strongly with deep similarity metrics, indicating a crucial role of these metrics in the development of machine-oriented codecs; and (3) using lossy compressed datasets, (e.g. ImageNet) for pre-training can lead to counter-intuitive scenarios where lossy compression increases machine perceptual quality rather than degrading it. To encourage engagement on this growing area of research, our code and experiments are available at: https://github.com/danjacobellis/MPQ.

Over the past few years, due to the rapid development of machine learning (ML) models for weather forecasting, state-of-the-art ML models have shown superior performance compared to the European Centre for Medium-Range Weather Forecasts (ECMWF)'s high-resolution forecast (HRES) in 10-day forecasts at a spatial resolution of 0.25 degree. However, the challenge remains to perform comparably to the ECMWF ensemble mean (EM) in 15-day forecasts. Previous studies have demonstrated the importance of mitigating the accumulation of forecast errors for effective long-term forecasts. Despite numerous efforts to reduce accumulation errors, including autoregressive multi-time step loss, using a single model is found to be insufficient to achieve optimal performance in both short and long lead times. Therefore, we present FuXi, a cascaded ML weather forecasting system that provides 15-day global forecasts with a temporal resolution of 6 hours and a spatial resolution of 0.25 degree. FuXi is developed using 39 years of the ECMWF ERA5 reanalysis dataset. The performance evaluation, based on latitude-weighted root mean square error (RMSE) and anomaly correlation coefficient (ACC), demonstrates that FuXi has comparable forecast performance to ECMWF EM in 15-day forecasts, making FuXi the first ML-based weather forecasting system to accomplish this achievement.

Despite incredible recent advances in machine learning, building machine learning applications remains prohibitively time-consuming and expensive for all but the best-trained, best-funded engineering organizations. This expense comes not from a need for new and improved statistical models but instead from a lack of systems and tools for supporting end-to-end machine learning application development, from data preparation and labeling to productionization and monitoring. In this document, we outline opportunities for infrastructure supporting usable, end-to-end machine learning applications in the context of the nascent DAWN (Data Analytics for What's Next) project at Stanford.

Large language models (LLMs) possess strong semantic understanding, driving significant progress in data mining applications. This is further enhanced by large reasoning models (LRMs), which provide explicit multi-step reasoning traces. On the other hand, the growing need for the right to be forgotten has driven the development of machine unlearning techniques, which aim to eliminate the influence of specific data from trained models without full retraining. However, unlearning may also introduce new security vulnerabilities by exposing additional interaction surfaces. Although many studies have investigated unlearning attacks, there is no prior work on LRMs. To bridge the gap, we first in this paper propose LRM unlearning attack that forces incorrect final answers while generating convincing but misleading reasoning traces. This objective is challenging due to non-differentiable logical constraints, weak optimization effect over long rationales, and discrete forget set selection. To overcome these challenges, we introduce a bi-level exact unlearning attack that incorporates a differentiable objective function, influential token alignment, and a relaxed indicator strategy. To demonstrate the effectiveness and generalizability of our attack, we also design novel optimization frameworks and conduct comprehensive experiments in both white-box and black-box settings, aiming to raise awareness of the emerging threats to LRM unlearning pipelines.

The increasing capability of large language models (LLMs) to generate synthetic content has heightened concerns about their misuse, driving the development of Machine-Generated Text (MGT) detection models. However, these detectors face significant challenges due to the lack of systematically generated, high-quality datasets for training. To address this issue, we propose five novel data augmentation frameworks for synthetic user dialogue generation through a structured prompting approach, reducing the costs associated with traditional data collection methods. Our proposed method yields 14 new dialogue datasets, which we benchmark against seven MGT detection models. The results demonstrate improved generalization performance when utilizing a mixed dataset produced by our proposed augmentation framework. Furthermore, considering that real-world agents lack knowledge of future opponent utterances, we simulate online dialogue detection and examine the relationship between chat history length and detection accuracy. We also benchmark online detection performance with limited chat history on our frameworks. Our open-source datasets can be downloaded from https://github.com/AngieYYF/SPADE-customer-service-dialogue.

The development of Machine Learning (ML) methods for Computational Fluid Dynamics (CFD) is currently limited by the lack of openly available training data. This paper presents a new open-source dataset comprising of high fidelity, scale-resolving CFD simulations of 500 geometric variations of the Ahmed Car Body - a simplified car-like shape that exhibits many of the flow topologies that are present on bluff bodies such as road vehicles. The dataset contains simulation results that exhibit a broad set of fundamental flow physics such as geometry and pressure-induced flow separation as well as 3D vortical structures. Each variation of the Ahmed car body were run using a high-fidelity, time-accurate, hybrid Reynolds-Averaged Navier-Stokes (RANS) - Large-Eddy Simulation (LES) turbulence modelling approach using the open-source CFD code OpenFOAM. The dataset contains boundary, volume, geometry, and time-averaged forces/moments in widely used open-source formats. In addition, the OpenFOAM case setup is provided so that others can reproduce or extend the dataset. This represents to the authors knowledge, the first open-source large-scale dataset using high-fidelity CFD methods for the widely used Ahmed car body that is available to freely download with a permissive license (CC-BY-SA).

The development of machine learning (ML) techniques has led to ample opportunities for developers to develop and deploy their own models. Hugging Face serves as an open source platform where developers can share and download other models in an effort to make ML development more collaborative. In order for models to be shared, they first need to be serialized. Certain Python serialization methods are considered unsafe, as they are vulnerable to object injection. This paper investigates the pervasiveness of these unsafe serialization methods across Hugging Face, and demonstrates through an exploitation approach, that models using unsafe serialization methods can be exploited and shared, creating an unsafe environment for ML developers. We investigate to what extent Hugging Face is able to flag repositories and files using unsafe serialization methods, and develop a technique to detect malicious models. Our results show that Hugging Face is home to a wide range of potentially vulnerable models.

In situ imageomics leverages machine learning techniques to infer biological traits from images collected in the field, or in situ, to study individuals organisms, groups of wildlife, and whole ecosystems. Such datasets provide real-time social and environmental context to inferred biological traits, which can enable new, data-driven conservation and ecosystem management. The development of machine learning techniques to extract biological traits from images are impeded by the volume and quality data required to train these models. Autonomous, unmanned aerial vehicles (UAVs), are well suited to collect in situ imageomics data as they can traverse remote terrain quickly to collect large volumes of data with greater consistency and reliability compared to manually piloted UAV missions. However, little guidance exists on optimizing autonomous UAV missions for the purposes of remote sensing for conservation and biodiversity monitoring. The UAV video dataset curated by KABR: In-Situ Dataset for Kenyan Animal Behavior Recognition from Drone Videos required three weeks to collect, a time-consuming and expensive endeavor. Our analysis of KABR revealed that a third of the videos gathered were unusable for the purposes of inferring wildlife behavior. We analyzed the flight telemetry data from portions of UAV videos that were usable for inferring wildlife behavior, and demonstrate how these insights can be integrated into an autonomous remote sensing system to track wildlife in real time. Our autonomous remote sensing system optimizes the UAV's actions to increase the yield of usable data, and matches the flight path of an expert pilot with an 87% accuracy rate, representing an 18.2% improvement in accuracy over previously proposed methods.

The development of machine learning models for electrocatalysts requires a broad set of training data to enable their use across a wide variety of materials. One class of materials that currently lacks sufficient training data is oxides, which are critical for the development of OER catalysts. To address this, we developed the OC22 dataset, consisting of 62,331 DFT relaxations (~9,854,504 single point calculations) across a range of oxide materials, coverages, and adsorbates. We define generalized total energy tasks that enable property prediction beyond adsorption energies; we test baseline performance of several graph neural networks; and we provide pre-defined dataset splits to establish clear benchmarks for future efforts. In the most general task, GemNet-OC sees a ~36% improvement in energy predictions when combining the chemically dissimilar OC20 and OC22 datasets via fine-tuning. Similarly, we achieved a ~19% improvement in total energy predictions on OC20 and a ~9% improvement in force predictions in OC22 when using joint training. We demonstrate the practical utility of a top performing model by capturing literature adsorption energies and important OER scaling relationships. We expect OC22 to provide an important benchmark for models seeking to incorporate intricate long-range electrostatic and magnetic interactions in oxide surfaces. Dataset and baseline models are open sourced, and a public leaderboard is available to encourage continued community developments on the total energy tasks and data.

Alzheimer's disease (AD) is a degenerative brain disease impairing a person's ability to perform day to day activities. The clinical manifestations of Alzheimer's disease are characterized by heterogeneity in age, disease span, progression rate, impairment of memory and cognitive abilities. Due to these variabilities, personalized care and treatment planning, as well as patient counseling about their individual progression is limited. Recent developments in machine learning to detect hidden patterns in complex, multi-dimensional datasets provides significant opportunities to address this critical need. In this work, we use unsupervised and supervised machine learning approaches for subtype identification and prediction. We apply machine learning methods to the extensive clinical observations available at the Alzheimer's Disease Neuroimaging Initiative (ADNI) data set to identify patient subtypes and to predict disease progression. Our analysis depicts the progression space for the Alzheimer's disease into low, moderate and high disease progression zones. The proposed work will enable early detection and characterization of distinct disease subtypes based on clinical heterogeneity. We anticipate that our models will enable patient counseling, clinical trial design, and ultimately individualized clinical care.

Recent developments in machine translation and multilingual text generation have led researchers to adopt trained metrics such as COMET or BLEURT, which treat evaluation as a regression problem and use representations from multilingual pre-trained models such as XLM-RoBERTa or mBERT. Yet studies on related tasks suggest that these models are most efficient when they are large, which is costly and impractical for evaluation. We investigate the trade-off between multilinguality and model capacity with RemBERT, a state-of-the-art multilingual language model, using data from the WMT Metrics Shared Task. We present a series of experiments which show that model size is indeed a bottleneck for cross-lingual transfer, then demonstrate how distillation can help addressing this bottleneck, by leveraging synthetic data generation and transferring knowledge from one teacher to multiple students trained on related languages. Our method yields up to 10.5% improvement over vanilla fine-tuning and reaches 92.6% of RemBERT's performance using only a third of its parameters.

The rapid development of machine learning and deep learning has introduced increasingly complex optimization challenges that must be addressed. Indeed, training modern, advanced models has become difficult to implement without leveraging multiple computing nodes in a distributed environment. Distributed optimization is also fundamental to emerging fields such as federated learning. Specifically, there is a need to organize the training process to minimize the time lost due to communication. A widely used and extensively researched technique to mitigate the communication bottleneck involves performing local training before communication. This approach is the focus of our paper. Concurrently, adaptive methods that incorporate scaling, notably led by Adam, have gained significant popularity in recent years. Therefore, this paper aims to merge the local training technique with the adaptive approach to develop efficient distributed learning methods. We consider the classical Local SGD method and enhance it with a scaling feature. A crucial aspect is that the scaling is described generically, allowing us to analyze various approaches, including Adam, RMSProp, and OASIS, in a unified manner. In addition to theoretical analysis, we validate the performance of our methods in practice by training a neural network.

Building on developments in machine learning and prior work in the science of judicial prediction, we construct a model designed to predict the behavior of the Supreme Court of the United States in a generalized, out-of-sample context. To do so, we develop a time evolving random forest classifier which leverages some unique feature engineering to predict more than 240,000 justice votes and 28,000 cases outcomes over nearly two centuries (1816-2015). Using only data available prior to decision, our model outperforms null (baseline) models at both the justice and case level under both parametric and non-parametric tests. Over nearly two centuries, we achieve 70.2% accuracy at the case outcome level and 71.9% at the justice vote level. More recently, over the past century, we outperform an in-sample optimized null model by nearly 5%. Our performance is consistent with, and improves on the general level of prediction demonstrated by prior work; however, our model is distinctive because it can be applied out-of-sample to the entire past and future of the Court, not a single term. Our results represent an important advance for the science of quantitative legal prediction and portend a range of other potential applications.

Foodborne illness is a serious but preventable public health problem -- with delays in detecting the associated outbreaks resulting in productivity loss, expensive recalls, public safety hazards, and even loss of life. While social media is a promising source for identifying unreported foodborne illnesses, there is a dearth of labeled datasets for developing effective outbreak detection models. To accelerate the development of machine learning-based models for foodborne outbreak detection, we thus present TWEET-FID (TWEET-Foodborne Illness Detection), the first publicly available annotated dataset for multiple foodborne illness incident detection tasks. TWEET-FID collected from Twitter is annotated with three facets: tweet class, entity type, and slot type, with labels produced by experts as well as by crowdsource workers. We introduce several domain tasks leveraging these three facets: text relevance classification (TRC), entity mention detection (EMD), and slot filling (SF). We describe the end-to-end methodology for dataset design, creation, and labeling for supporting model development for these tasks. A comprehensive set of results for these tasks leveraging state-of-the-art single- and multi-task deep learning methods on the TWEET-FID dataset are provided. This dataset opens opportunities for future research in foodborne outbreak detection.

Despite the rapid development of machine learning algorithms for domain generalization (DG), there is no clear empirical evidence that the existing DG algorithms outperform the classic empirical risk minimization (ERM) across standard benchmarks. To better understand this phenomenon, we investigate whether there are benefits of DG algorithms over ERM through the lens of label noise. Specifically, our finite-sample analysis reveals that label noise exacerbates the effect of spurious correlations for ERM, undermining generalization. Conversely, we illustrate that DG algorithms exhibit implicit label-noise robustness during finite-sample training even when spurious correlation is present. Such desirable property helps mitigate spurious correlations and improve generalization in synthetic experiments. However, additional comprehensive experiments on real-world benchmark datasets indicate that label-noise robustness does not necessarily translate to better performance compared to ERM. We conjecture that the failure mode of ERM arising from spurious correlations may be less pronounced in practice.

Most of the existing chest X-ray datasets include labels from a list of findings without specifying their locations on the radiographs. This limits the development of machine learning algorithms for the detection and localization of chest abnormalities. In this work, we describe a dataset of more than 100,000 chest X-ray scans that were retrospectively collected from two major hospitals in Vietnam. Out of this raw data, we release 18,000 images that were manually annotated by a total of 17 experienced radiologists with 22 local labels of rectangles surrounding abnormalities and 6 global labels of suspected diseases. The released dataset is divided into a training set of 15,000 and a test set of 3,000. Each scan in the training set was independently labeled by 3 radiologists, while each scan in the test set was labeled by the consensus of 5 radiologists. We designed and built a labeling platform for DICOM images to facilitate these annotation procedures. All images are made publicly available (https://www.physionet.org/content/vindr-cxr/1.0.0/) in DICOM format along with the labels of both the training set and the test set.

The development of Natural Language Processing (NLI) datasets and models has been inspired by innovations in annotation design. With the rapid development of machine learning models today, the performance of existing machine learning models has quickly reached state-of-the-art results on a variety of tasks related to natural language processing, including natural language inference tasks. By using a pre-trained model during the annotation process, it is possible to challenge current NLI models by having humans produce premise-hypothesis combinations that the machine model cannot correctly predict. To remain attractive and challenging in the research of natural language inference for Vietnamese, in this paper, we introduce the adversarial NLI dataset to the NLP research community with the name ViANLI. This data set contains more than 10K premise-hypothesis pairs and is built by a continuously adjusting process to obtain the most out of the patterns generated by the annotators. ViANLI dataset has brought many difficulties to many current SOTA models when the accuracy of the most powerful model on the test set only reached 48.4%. Additionally, the experimental results show that the models trained on our dataset have significantly improved the results on other Vietnamese NLI datasets.

To the naked eye, stock prices are considered chaotic, dynamic, and unpredictable. Indeed, it is one of the most difficult forecasting tasks that hundreds of millions of retail traders and professional traders around the world try to do every second even before the market opens. With recent advances in the development of machine learning and the amount of data the market generated over years, applying machine learning techniques such as deep learning neural networks is unavoidable. In this work, we modeled the task as a multivariate forecasting problem, instead of a naive autoregression problem. The multivariate analysis is done using the attention mechanism via applying a mutated version of the Transformer, "Stockformer", which we created.

Despite extraordinary progress in artificial intelligence (AI), modern systems remain incomplete representations of human cognition. Vision, audition, and language have received disproportionate attention due to well-defined benchmarks, standardized datasets, and consensus-driven scientific foundations. In contrast, olfaction - a high-bandwidth, evolutionarily critical sense - has been largely overlooked. This omission presents a foundational gap in the construction of truly embodied and ethically aligned super-human intelligence. We argue that the exclusion of olfactory perception from AI architectures is not due to irrelevance but to structural challenges: unresolved scientific theories of smell, heterogeneous sensor technologies, lack of standardized olfactory datasets, absence of AI-oriented benchmarks, and difficulty in evaluating sub-perceptual signal processing. These obstacles have hindered the development of machine olfaction despite its tight coupling with memory, emotion, and contextual reasoning in biological systems. In this position paper, we assert that meaningful progress toward general and embodied intelligence requires serious investment in olfactory research by the AI community. We call for cross-disciplinary collaboration - spanning neuroscience, robotics, machine learning, and ethics - to formalize olfactory benchmarks, develop multimodal datasets, and define the sensory capabilities necessary for machines to understand, navigate, and act within human environments. Recognizing olfaction as a core modality is essential not only for scientific completeness, but for building AI systems that are ethically grounded in the full scope of the human experience.

Developing accurate, transferable and computationally inexpensive machine learning models can rapidly accelerate the discovery and development of new materials. Some of the major challenges involved in developing such models are, (i) limited availability of materials data as compared to other fields, (ii) lack of universal descriptor of materials to predict its various properties. The limited availability of materials data can be addressed through transfer learning, while the generic representation was recently addressed by Xie and Grossman [1], where they developed a crystal graph convolutional neural network (CGCNN) that provides a unified representation of crystals. In this work, we develop a new model (MT-CGCNN) by integrating CGCNN with transfer learning based on multi-task (MT) learning. We demonstrate the effectiveness of MT-CGCNN by simultaneous prediction of various material properties such as Formation Energy, Band Gap and Fermi Energy for a wide range of inorganic crystals (46774 materials). MT-CGCNN is able to reduce the test error when employed on correlated properties by upto 8%. The model prediction has lower test error compared to CGCNN, even when the training data is reduced by 10%. We also demonstrate our model's better performance through prediction of end user scenario related to metal/non-metal classification. These results encourage further development of machine learning approaches which leverage multi-task learning to address the aforementioned challenges in the discovery of new materials. We make MT-CGCNN's source code available to encourage reproducible research.

We present PyCARL, a PyNN-based common Python programming interface for hardware-software co-simulation of spiking neural network (SNN). Through PyCARL, we make the following two key contributions. First, we provide an interface of PyNN to CARLsim, a computationally-efficient, GPU-accelerated and biophysically-detailed SNN simulator. PyCARL facilitates joint development of machine learning models and code sharing between CARLsim and PyNN users, promoting an integrated and larger neuromorphic community. Second, we integrate cycle-accurate models of state-of-the-art neuromorphic hardware such as TrueNorth, Loihi, and DynapSE in PyCARL, to accurately model hardware latencies that delay spikes between communicating neurons and degrade performance. PyCARL allows users to analyze and optimize the performance difference between software-only simulation and hardware-software co-simulation of their machine learning models. We show that system designers can also use PyCARL to perform design-space exploration early in the product development stage, facilitating faster time-to-deployment of neuromorphic products. We evaluate the memory usage and simulation time of PyCARL using functionality tests, synthetic SNNs, and realistic applications. Our results demonstrate that for large SNNs, PyCARL does not lead to any significant overhead compared to CARLsim. We also use PyCARL to analyze these SNNs for a state-of-the-art neuromorphic hardware and demonstrate a significant performance deviation from software-only simulations. PyCARL allows to evaluate and minimize such differences early during model development.

Knowledge Graph Embedding (KGE) models are used to learn continuous representations of entities and relations. A key task in the literature is predicting missing links between entities. However, Knowledge Graphs are not just sets of links but also have semantics underlying their structure. Semantics is crucial in several downstream tasks, such as query answering or reasoning. We introduce the subgraph inference task, where a model has to generate likely and semantically valid subgraphs. We propose IntelliGraphs, a set of five new Knowledge Graph datasets. The IntelliGraphs datasets contain subgraphs with semantics expressed in logical rules for evaluating subgraph inference. We also present the dataset generator that produced the synthetic datasets. We designed four novel baseline models, which include three models based on traditional KGEs. We evaluate their expressiveness and show that these models cannot capture the semantics. We believe this benchmark will encourage the development of machine learning models that emphasize semantic understanding.

Benchmarks play an important role in the development of machine learning algorithms. For example, research in reinforcement learning (RL) has been heavily influenced by available environments and benchmarks. However, RL environments are traditionally run on the CPU, limiting their scalability with typical academic compute. Recent advancements in JAX have enabled the wider use of hardware acceleration to overcome these computational hurdles, enabling massively parallel RL training pipelines and environments. This is particularly useful for multi-agent reinforcement learning (MARL) research. First of all, multiple agents must be considered at each environment step, adding computational burden, and secondly, the sample complexity is increased due to non-stationarity, decentralised partial observability, or other MARL challenges. In this paper, we present JaxMARL, the first open-source code base that combines ease-of-use with GPU enabled efficiency, and supports a large number of commonly used MARL environments as well as popular baseline algorithms. When considering wall clock time, our experiments show that per-run our JAX-based training pipeline is up to 12500x faster than existing approaches. This enables efficient and thorough evaluations, with the potential to alleviate the evaluation crisis of the field. We also introduce and benchmark SMAX, a vectorised, simplified version of the popular StarCraft Multi-Agent Challenge, which removes the need to run the StarCraft II game engine. This not only enables GPU acceleration, but also provides a more flexible MARL environment, unlocking the potential for self-play, meta-learning, and other future applications in MARL. We provide code at https://github.com/flairox/jaxmarl.

Automatic evaluation metrics are central to the development of machine translation systems, yet their robustness under domain shift remains unclear. Most metrics are developed on the Workshop on Machine Translation (WMT) benchmarks, raising concerns about their robustness to unseen domains. Prior studies that analyze unseen domains vary translation systems, annotators, or evaluation conditions, confounding domain effects with human annotation noise. To address these biases, we introduce a systematic multi-annotator Cross-Domain Error-Span-Annotation dataset (CD-ESA), comprising 18.8k human error span annotations across three language pairs, where we fix annotators within each language pair and evaluate translations of the same six translation systems across one seen news domain and two unseen technical domains. Using this dataset, we first find that automatic metrics appear surprisingly robust to domain-shifts at the segment level (up to 0.69 agreement), but this robustness largely disappears once we account for human label variation. Averaging annotations increases inter-annotator agreement by up to +0.11. Metrics struggle on the unseen chemical domain compared to humans (inter-annotator agreement of 0.78-0.83 vs. 0.96). We recommend comparing metric-human agreement against inter-annotator agreement, rather than comparing raw metric-human agreement alone, when evaluating across different domains.

Speech recognition has become an important task in the development of machine learning and artificial intelligence. In this study, we explore the important task of keyword spotting using speech recognition machine learning and deep learning techniques. We implement feature engineering by converting raw waveforms to Mel Frequency Cepstral Coefficients (MFCCs), which we use as inputs to our models. We experiment with several different algorithms such as Hidden Markov Model with Gaussian Mixture, Convolutional Neural Networks and variants of Recurrent Neural Networks including Long Short-Term Memory and the Attention mechanism. In our experiments, RNN with BiLSTM and Attention achieves the best performance with an accuracy of 93.9 %

The enormous progress in the field of artificial intelligence (AI) enables retail companies to automate their processes and thus to save costs. Thereby, many AI-based automation approaches are based on machine learning and computer vision. The realization of such approaches requires high-quality training data. In this paper, we describe the creation process of an annotated dataset that contains 1,034 images of single food products, taken under studio conditions, annotated with 5 class labels and 30 object detection labels, which can be used for product recognition and classification tasks. We based all images and labels on standards presented by GS1, a global non-profit organisation. The objective of our work is to support the development of machine learning models in the retail domain and to provide a reference process for creating the necessary training data.

Characteristic classes, which are abstract topological invariants associated with vector bundles, have become an important notion in modern physics with surprising real-world consequences. As a representative example, the incredible properties of topological insulators, which are insulators in their bulk but conductors on their surface, can be completely characterized by a specific characteristic class associated with their electronic band structure, the first Chern class. Given their importance to next generation computing and the computational challenge of calculating them using first-principles approaches, there is a need to develop machine learning approaches to predict the characteristic classes associated with a material system. To aid in this program we introduce the {Haldane bundle dataset}, which consists of synthetically generated complex line bundles on the 2-torus. We envision this dataset, which is not as challenging as noisy and sparsely measured real-world datasets but (as we show) still difficult for off-the-shelf architectures, to be a testing ground for architectures that incorporate the rich topological and geometric priors underlying characteristic classes.

The availability of different pre-trained semantic models enabled the quick development of machine learning components for downstream applications. Despite the availability of abundant text data for low resource languages, only a few semantic models are publicly available. Publicly available pre-trained models are usually built as a multilingual version of semantic models that can not fit well for each language due to context variations. In this work, we introduce different semantic models for Amharic. After we experiment with the existing pre-trained semantic models, we trained and fine-tuned nine new different models using a monolingual text corpus. The models are build using word2Vec embeddings, distributional thesaurus (DT), contextual embeddings, and DT embeddings obtained via network embedding algorithms. Moreover, we employ these models for different NLP tasks and investigate their impact. We find that newly trained models perform better than pre-trained multilingual models. Furthermore, models based on contextual embeddings from RoBERTA perform better than the word2Vec models.

Growing concerns surrounding AI safety and data privacy have driven the development of Machine Unlearning as a potential solution. However, current machine unlearning algorithms are designed to complement the offline training paradigm. The emergence of the Continual Learning (CL) paradigm promises incremental model updates, enabling models to learn new tasks sequentially. Naturally, some of those tasks may need to be unlearned to address safety or privacy concerns that might arise. We find that applying conventional unlearning algorithms in continual learning environments creates two critical problems: performance degradation on retained tasks and task relapse, where previously unlearned tasks resurface during subsequent learning. Furthermore, most unlearning algorithms require data to operate, which conflicts with CL's philosophy of discarding past data. A clear need arises for unlearning algorithms that are data-free and mindful of future learning. To that end, we propose UnCLe, an Unlearning framework for Continual Learning. UnCLe employs a hypernetwork that learns to generate task-specific network parameters, using task embeddings. Tasks are unlearned by aligning the corresponding generated network parameters with noise, without requiring any data. Empirical evaluations on several vision data sets demonstrate UnCLe's ability to sequentially perform multiple learning and unlearning operations with minimal disruption to previously acquired knowledge.

We present the first comprehensive Lean 4 formalization of statistical learning theory (SLT) grounded in empirical process theory. Our end-to-end formal infrastructure implement the missing contents in latest Lean 4 Mathlib library, including a complete development of Gaussian Lipschitz concentration, the first formalization of Dudley's entropy integral theorem for sub-Gaussian processes, and an application to least-squares (sparse) regression with a sharp rate. The project was carried out using a human-AI collaborative workflow, in which humans design proof strategies and AI agents execute tactical proof construction, leading to the human-verified Lean 4 toolbox for SLT. Beyond implementation, the formalization process exposes and resolves implicit assumptions and missing details in standard SLT textbooks, enforcing a granular, line-by-line understanding of the theory. This work establishes a reusable formal foundation and opens the door for future developments in machine learning theory. The code is available at https://github.com/YuanheZ/lean-stat-learning-theory

The traditional process of building interactive machine learning systems can be viewed as a teacher-learner interaction scenario where the machine-learners are trained by one or more human-teachers. In this work, we explore the idea of using a conversational interface to investigate the interaction between human-teachers and interactive machine-learners. Specifically, we examine whether teachable AI agents can reliably learn from human-teachers through conversational interactions, and how this learning compare with traditional supervised learning algorithms. Results validate the concept of teachable conversational agents and highlight the factors relevant for the development of machine learning systems that intend to learn from conversational interactions.

Benchmarking multi-object tracking and object detection model performance is an essential step in machine learning model development, as it allows researchers to evaluate model detection and tracker performance on human-generated 'test' data, facilitating consistent comparisons between models and trackers and aiding performance optimization. In this study, a novel benchmark video dataset was developed and used to assess the performance of several Monterey Bay Aquarium Research Institute object detection models and a FathomNet single-class object detection model together with several trackers. The dataset consists of four video sequences representing midwater and benthic deep-sea habitats. Performance was evaluated using Higher Order Tracking Accuracy, a metric that balances detection, localization, and association accuracy. To the best of our knowledge, this is the first publicly available benchmark for multi-object tracking in deep-sea video footage. We provide the benchmark data, a clearly documented workflow for generating additional benchmark videos, as well as example Python notebooks for computing metrics.

With the introduction of data protection and privacy regulations, it has become crucial to remove the lineage of data on demand from a machine learning (ML) model. In the last few years, there have been notable developments in machine unlearning to remove the information of certain training data efficiently and effectively from ML models. In this work, we explore unlearning for the regression problem, particularly in deep learning models. Unlearning in classification and simple linear regression has been considerably investigated. However, unlearning in deep regression models largely remains an untouched problem till now. In this work, we introduce deep regression unlearning methods that generalize well and are robust to privacy attacks. We propose the Blindspot unlearning method which uses a novel weight optimization process. A randomly initialized model, partially exposed to the retain samples and a copy of the original model are used together to selectively imprint knowledge about the data that we wish to keep and scrub off the information of the data we wish to forget. We also propose a Gaussian fine tuning method for regression unlearning. The existing unlearning metrics for classification are not directly applicable to regression unlearning. Therefore, we adapt these metrics for the regression setting. We conduct regression unlearning experiments for computer vision, natural language processing and forecasting applications. Our methods show excellent performance for all these datasets across all the metrics. Source code: https://github.com/ayu987/deep-regression-unlearning

Quantization has become a popular technique to compress neural networks and reduce compute cost, but most prior work focuses on studying quantization without changing the network size. Many real-world applications of neural networks have compute cost and memory budgets, which can be traded off with model quality by changing the number of parameters. In this work, we use ResNet as a case study to systematically investigate the effects of quantization on inference compute cost-quality tradeoff curves. Our results suggest that for each bfloat16 ResNet model, there are quantized models with lower cost and higher accuracy; in other words, the bfloat16 compute cost-quality tradeoff curve is Pareto-dominated by the 4-bit and 8-bit curves, with models primarily quantized to 4-bit yielding the best Pareto curve. Furthermore, we achieve state-of-the-art results on ImageNet for 4-bit ResNet-50 with quantization-aware training, obtaining a top-1 eval accuracy of 77.09%. We demonstrate the regularizing effect of quantization by measuring the generalization gap. The quantization method we used is optimized for practicality: It requires little tuning and is designed with hardware capabilities in mind. Our work motivates further research into optimal numeric formats for quantization, as well as the development of machine learning accelerators supporting these formats. As part of this work, we contribute a quantization library written in JAX, which is open-sourced at https://github.com/google-research/google-research/tree/master/aqt.

Multi-modality magnetic resonance imaging data with various sequences facilitate the early diagnosis, tumor segmentation, and disease staging in the management of nasopharyngeal carcinoma (NPC). The lack of publicly available, comprehensive datasets limits advancements in diagnosis, treatment planning, and the development of machine learning algorithms for NPC. Addressing this critical need, we introduce the first comprehensive NPC MRI dataset, encompassing MR axial imaging of 277 primary NPC patients. This dataset includes T1-weighted, T2-weighted, and contrast-enhanced T1-weighted sequences, totaling 831 scans. In addition to the corresponding clinical data, manually annotated and labeled segmentations by experienced radiologists offer high-quality data resources from untreated primary NPC.

Despite major advances in methodology, hyperparameter tuning remains a crucial (and expensive) part of the development of machine learning systems. Even ignoring architectural choices, deep neural networks have a large number of optimization and regularization hyperparameters that need to be tuned carefully per workload in order to obtain the best results. In a perfect world, training algorithms would not require workload-specific hyperparameter tuning, but would instead have default settings that performed well across many workloads. Recently, there has been a growing literature on optimization methods which attempt to reduce the number of hyperparameters -- particularly the learning rate and its accompanying schedule. Given these developments, how far away is the dream of neural network training algorithms that completely obviate the need for painful tuning? In this paper, we evaluate the potential of learning-rate-free methods as components of hyperparameter-free methods. We freeze their (non-learning rate) hyperparameters to default values, and score their performance using the recently-proposed AlgoPerf: Training Algorithms benchmark. We found that literature-supplied default settings performed poorly on the benchmark, so we performed a search for hyperparameter configurations that performed well across all workloads simultaneously. The best AlgoPerf-calibrated learning-rate-free methods had much improved performance but still lagged slightly behind a similarly calibrated NadamW baseline in overall benchmark score. Our results suggest that there is still much room for improvement for learning-rate-free methods, and that testing against a strong, workload-agnostic baseline is important to improve hyperparameter reduction techniques.

Retinal detachment (RD) is a vision-threatening condition that requires timely intervention to preserve vision. Macular involvement -- whether the macula is still intact (macula-intact) or detached (macula-detached) -- is the key determinant of visual outcomes and treatment urgency. Point-of-care ultrasound (POCUS) offers a fast, non-invasive, cost-effective, and accessible imaging modality widely used in diverse clinical settings to detect RD. However, ultrasound image interpretation is limited by a lack of expertise among healthcare providers, especially in resource-limited settings. Deep learning offers the potential to automate ultrasound-based assessment of RD. However, there are no ML ultrasound algorithms currently available for clinical use to detect RD and no prior research has been done on assessing macular status using ultrasound in RD cases -- an essential distinction for surgical prioritization. Moreover, no public dataset currently supports macular-based RD classification using ultrasound video clips. We introduce Eye Retinal DEtachment ultraSound, ERDES, the first open-access dataset of ocular ultrasound clips labeled for (i) presence of retinal detachment and (ii) macula-intact versus macula-detached status. The dataset is intended to facilitate the development and evaluation of machine learning models for detecting retinal detachment. We also provide baseline benchmarks using multiple spatiotemporal convolutional neural network (CNN) architectures. All clips, labels, and training code are publicly available at https://osupcvlab.github.io/ERDES/.

With the breakthrough of large models, Segment Anything Model (SAM) and its extensions have been attempted to apply in diverse tasks of computer vision. Underwater salient instance segmentation is a foundational and vital step for various underwater vision tasks, which often suffer from low segmentation accuracy due to the complex underwater circumstances and the adaptive ability of models. Moreover, the lack of large-scale datasets with pixel-level salient instance annotations has impeded the development of machine learning techniques in this field. To address these issues, we construct the first large-scale underwater salient instance segmentation dataset (USIS10K), which contains 10,632 underwater images with pixel-level annotations in 7 categories from various underwater scenes. Then, we propose an Underwater Salient Instance Segmentation architecture based on Segment Anything Model (USIS-SAM) specifically for the underwater domain. We devise an Underwater Adaptive Visual Transformer (UA-ViT) encoder to incorporate underwater domain visual prompts into the segmentation network. We further design an out-of-the-box underwater Salient Feature Prompter Generator (SFPG) to automatically generate salient prompters instead of explicitly providing foreground points or boxes as prompts in SAM. Comprehensive experimental results show that our USIS-SAM method can achieve superior performance on USIS10K datasets compared to the state-of-the-art methods. Datasets and codes are released on https://github.com/LiamLian0727/USIS10K.

Large-scale formalization of advanced mathematics requires more than translating individual statements: it must reconstruct a coherent theory distributed across heterogeneous sources. This process raises four challenges: discovering implicit dependencies, correcting source defects, preserving semantic fidelity, and reconciling cross-source misalignments. We present FormaTheoria, an end-to-end, AI-assisted workflow that coordinates source acquisition, formalization, proof construction, recursive dependency discovery, independent review, and reconciliation, while preserving provenance and protecting approved declarations. A shared agent framework supports long-horizon execution through tool use, context compaction, review-gated termination, section-level source context, and dependency-aware batch parallelization. Applying FormaTheoria to major components of the Classification of Finite Simple Groups (CFSG), we construct a machine-checked Lean development extending through the Bender--Suzuki theorem and encompassing the Feit--Thompson Odd Order Theorem, Glauberman's Z^* theorem, and the Brauer--Suzuki theorem. This development verifies an extensive body of deeply interdependent finite-group theory while providing a foundation for continuing the CFSG formalization. An empirical analysis of the code and recorded construction process supports the practical relevance of the identified challenges and illustrates the roles of the corresponding workflow components. Together, these results demonstrate how AI-assisted workflows can reconstruct mathematically significant formal theories from distributed literature by combining language-model agents with formal verification, structured review, and explicit dependency management.

Antibodies have become an important class of therapeutic agents to treat human diseases. To accelerate therapeutic antibody discovery, computational methods, especially machine learning, have attracted considerable interest for predicting specific interactions between antibody candidates and target antigens such as viruses and bacteria. However, the publicly available datasets in existing works have notable limitations, such as small sizes and the lack of non-binding samples and exact amino acid sequences. To overcome these limitations, we have developed AVIDa-hIL6, a large-scale dataset for predicting antigen-antibody interactions in the variable domain of heavy chain of heavy chain antibodies (VHHs), produced from an alpaca immunized with the human interleukin-6 (IL-6) protein, as antigens. By leveraging the simple structure of VHHs, which facilitates identification of full-length amino acid sequences by DNA sequencing technology, AVIDa-hIL6 contains 573,891 antigen-VHH pairs with amino acid sequences. All the antigen-VHH pairs have reliable labels for binding or non-binding, as generated by a novel labeling method. Furthermore, via introduction of artificial mutations, AVIDa-hIL6 contains 30 different mutants in addition to wild-type IL-6 protein. This characteristic provides opportunities to develop machine learning models for predicting changes in antibody binding by antigen mutations. We report experimental benchmark results on AVIDa-hIL6 by using neural network-based baseline models. The results indicate that the existing models have potential, but further research is needed to generalize them to predict effective antibodies against unknown mutants. The dataset is available at https://avida-hil6.cognanous.com.

We present a new dataset, Functional Map of the World (fMoW), which aims to inspire the development of machine learning models capable of predicting the functional purpose of buildings and land use from temporal sequences of satellite images and a rich set of metadata features. The metadata provided with each image enables reasoning about location, time, sun angles, physical sizes, and other features when making predictions about objects in the image. Our dataset consists of over 1 million images from over 200 countries. For each image, we provide at least one bounding box annotation containing one of 63 categories, including a "false detection" category. We present an analysis of the dataset along with baseline approaches that reason about metadata and temporal views. Our data, code, and pretrained models have been made publicly available.

The scarcity of high-quality, labelled retinal imaging data, which presents a significant challenge in the development of machine learning models for ophthalmology, hinders progress in the field. Existing methods for synthesising Colour Fundus Photographs (CFPs) largely rely on predefined disease labels, which restricts their ability to generate images that reflect fine-grained anatomical variations, subtle disease stages, and diverse pathological features beyond coarse class categories. To overcome these challenges, we first introduce an innovative pipeline that creates a large-scale, captioned retinal dataset comprising 1.4 million entries, called RetinaLogos-1400k. Specifically, RetinaLogos-1400k uses the visual language model(VLM) to describe retinal conditions and key structures, such as optic disc configuration, vascular distribution, nerve fibre layers, and pathological features. Building on this dataset, we employ a novel three-step training framework, RetinaLogos, which enables fine-grained semantic control over retinal images and accurately captures different stages of disease progression, subtle anatomical variations, and specific lesion types. Through extensive experiments, our method demonstrates superior performance across multiple datasets, with 62.07% of text-driven synthetic CFPs indistinguishable from real ones by ophthalmologists. Moreover, the synthetic data improves accuracy by 5%-10% in diabetic retinopathy grading and glaucoma detection. Codes are available at https://github.com/uni-medical/retina-text2cfp.

This paper presents a comprehensive collection of industrial screw driving datasets designed to advance research in manufacturing process monitoring and quality control. The collection comprises six distinct datasets with over 34,000 individual screw driving operations conducted under controlled experimental conditions, capturing the multifaceted nature of screw driving processes in plastic components. Each dataset systematically investigates specific aspects: natural thread degradation patterns through repeated use (s01), variations in surface friction conditions including contamination and surface treatments (s02), diverse assembly faults with up to 27 error types (s03-s04), and fabrication parameter variations in both upper and lower workpieces through modified injection molding settings (s05-s06). We detail the standardized experimental setup used across all datasets, including hardware specifications, process phases, and data acquisition methods. The hierarchical data model preserves the temporal and operational structure of screw driving processes, facilitating both exploratory analysis and the development of machine learning models. To maximize accessibility, we provide dual access pathways: raw data through Zenodo with a persistent DOI, and a purpose-built Python library (PyScrew) that offers consistent interfaces for data loading, preprocessing, and integration with common analysis workflows. These datasets serve diverse research applications including anomaly detection, predictive maintenance, quality control system development, feature extraction methodology evaluation, and classification of specific error conditions. By addressing the scarcity of standardized, comprehensive datasets in industrial manufacturing, this collection enables reproducible research and fair comparison of analytical approaches in an area of growing importance for industrial automation.

The Annotated Germs for Automated Recognition (AGAR) dataset is an image database of microbial colonies cultured on agar plates. It contains 18000 photos of five different microorganisms as single or mixed cultures, taken under diverse lighting conditions with two different cameras. All the images are classified into "countable", "uncountable", and "empty", with the "countable" class labeled by microbiologists with colony location and species identification (336442 colonies in total). This study describes the dataset itself and the process of its development. In the second part, the performance of selected deep neural network architectures for object detection, namely Faster R-CNN and Cascade R-CNN, was evaluated on the AGAR dataset. The results confirmed the great potential of deep learning methods to automate the process of microbe localization and classification based on Petri dish photos. Moreover, AGAR is the first publicly available dataset of this kind and size and will facilitate the future development of machine learning models. The data used in these studies can be found at https://agar.neurosys.com/.

Machine Learning Interatomic Potentials (MLIP) are a novel in silico approach for molecular property prediction, creating an alternative to disrupt the accuracy/speed trade-off of empirical force fields and density functional theory (DFT). In this white paper, we present our MLIP library which was created with two core aims: (1) provide to industry experts without machine learning background a user-friendly and computationally efficient set of tools to experiment with MLIP models, (2) provide machine learning developers a framework to develop novel approaches fully integrated with molecular dynamics tools. The library includes in this release three model architectures (MACE, NequIP, and ViSNet), and two molecular dynamics (MD) wrappers (ASE, and JAX-MD), along with a set of pre-trained organics models. The seamless integration with JAX-MD, in particular, facilitates highly efficient MD simulations, bringing MLIP models significantly closer to industrial application. The library is available on GitHub and on PyPI under the Apache license 2.0.

Progress toward the United Nations Sustainable Development Goals (SDGs) has been hindered by a lack of data on key environmental and socioeconomic indicators, which historically have come from ground surveys with sparse temporal and spatial coverage. Recent advances in machine learning have made it possible to utilize abundant, frequently-updated, and globally available data, such as from satellites or social media, to provide insights into progress toward SDGs. Despite promising early results, approaches to using such data for SDG measurement thus far have largely evaluated on different datasets or used inconsistent evaluation metrics, making it hard to understand whether performance is improving and where additional research would be most fruitful. Furthermore, processing satellite and ground survey data requires domain knowledge that many in the machine learning community lack. In this paper, we introduce SustainBench, a collection of 15 benchmark tasks across 7 SDGs, including tasks related to economic development, agriculture, health, education, water and sanitation, climate action, and life on land. Datasets for 11 of the 15 tasks are released publicly for the first time. Our goals for SustainBench are to (1) lower the barriers to entry for the machine learning community to contribute to measuring and achieving the SDGs; (2) provide standard benchmarks for evaluating machine learning models on tasks across a variety of SDGs; and (3) encourage the development of novel machine learning methods where improved model performance facilitates progress towards the SDGs.

Recent studies operationalize self-improvement through coding agents that edit their own codebases. They grow a tree of self-modifications through expansion strategies that favor higher software engineering benchmark performance, assuming that this implies more promising subsequent self-modifications. However, we identify a mismatch between the agent's self-improvement potential (metaproductivity) and its coding benchmark performance, namely the Metaproductivity-Performance Mismatch. Inspired by Huxley's concept of clade, we propose a metric (CMP) that aggregates the benchmark performances of the descendants of an agent as an indicator of its potential for self-improvement. We show that, in our self-improving coding agent development setting, access to the true CMP is sufficient to simulate how the G\"odel Machine would behave under certain assumptions. We introduce the Huxley-G\"odel Machine (HGM), which, by estimating CMP and using it as guidance, searches the tree of self-modifications. On SWE-bench Verified and Polyglot, HGM outperforms prior self-improving coding agent development methods while using less wall-clock time. Last but not least, HGM demonstrates strong transfer to other coding datasets and large language models. The agent optimized by HGM on SWE-bench Verified with GPT-5-mini and evaluated on SWE-bench Lite with GPT-5 achieves human-level performance, matching the best officially checked results of human-engineered coding agents. Our code is available at https://github.com/metauto-ai/HGM.

Producing an artificial general intelligence (AGI) has been an elusive goal in artificial intelligence (AI) research for some time. An AGI would have the capability, like a human, to be exposed to a new problem domain, learn about it and then use reasoning processes to make decisions. While AI techniques have been used across a wide variety of problem domains, an AGI would require an AI that could reason beyond its programming and training. This paper presents a small step towards producing an AGI. It describes a mechanism for an AI to learn about and develop reasoning pathways to make decisions in an a priori unknown domain. It combines a classical AI technique, the expert system, with a its modern adaptation - the gradient descent trained expert system (GDTES) - and utilizes generative artificial intelligence (GAI) to create a network and training data set for this system. These can be created from available sources or may draw upon knowledge incorporated in a GAI's own pre-trained model. The learning process in GDTES is used to optimize the AI's decision-making. While this approach does not meet the standards that many have defined for an AGI, it provides a somewhat similar capability, albeit one which requires a learning process before use.

Despite the widespread applications of machine learning force field (MLFF) on solids and small molecules, there is a notable gap in applying MLFF to complex liquid electrolytes. In this work, we introduce BAMBOO (ByteDance AI Molecular Simulation Booster), a novel framework for molecular dynamics (MD) simulations, with a demonstration of its capabilities in the context of liquid electrolytes for lithium batteries. We design a physics-inspired graph equivariant transformer architecture as the backbone of BAMBOO to learn from quantum mechanical simulations. Additionally, we pioneer an ensemble knowledge distillation approach and apply it on MLFFs to improve the stability of MD simulations. Finally, we propose the density alignment algorithm to align BAMBOO with experimental measurements. BAMBOO demonstrates state-of-the-art accuracy in predicting key electrolyte properties such as density, viscosity, and ionic conductivity across various solvents and salt combinations. Our current model, trained on more than 15 chemical species, achieves the average density error of 0.01 g/cm^3 on various compositions compared with experimental data. Moreover, our model demonstrates transferability to molecules not included in the quantum mechanical dataset. We envision this work as paving the way to a "universal MLFF" capable of simulating properties of common organic liquids.

Datasets have played a foundational role in the advancement of machine learning research. They form the basis for the models we design and deploy, as well as our primary medium for benchmarking and evaluation. Furthermore, the ways in which we collect, construct and share these datasets inform the kinds of problems the field pursues and the methods explored in algorithm development. However, recent work from a breadth of perspectives has revealed the limitations of predominant practices in dataset collection and use. In this paper, we survey the many concerns raised about the way we collect and use data in machine learning and advocate that a more cautious and thorough understanding of data is necessary to address several of the practical and ethical issues of the field.

Machine learning (ML) approaches have demonstrated promising results in a wide range of healthcare applications. Data plays a crucial role in developing ML-based healthcare systems that directly affect people's lives. Many of the ethical issues surrounding the use of ML in healthcare stem from structural inequalities underlying the way we collect, use, and handle data. Developing guidelines to improve documentation practices regarding the creation, use, and maintenance of ML healthcare datasets is therefore of critical importance. In this work, we introduce Healthsheet, a contextualized adaptation of the original datasheet questionnaire ~gebru2018datasheets for health-specific applications. Through a series of semi-structured interviews, we adapt the datasheets for healthcare data documentation. As part of the Healthsheet development process and to understand the obstacles researchers face in creating datasheets, we worked with three publicly-available healthcare datasets as our case studies, each with different types of structured data: Electronic health Records (EHR), clinical trial study data, and smartphone-based performance outcome measures. Our findings from the interviewee study and case studies show 1) that datasheets should be contextualized for healthcare, 2) that despite incentives to adopt accountability practices such as datasheets, there is a lack of consistency in the broader use of these practices 3) how the ML for health community views datasheets and particularly Healthsheets as diagnostic tool to surface the limitations and strength of datasets and 4) the relative importance of different fields in the datasheet to healthcare concerns.

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.

Open-source benchmark datasets have been a critical component for advancing machine learning for robot perception in terrestrial applications. Benchmark datasets enable the widespread development of state-of-the-art machine learning methods, which require large datasets for training, validation, and thorough comparison to competing approaches. Underwater environments impose several operational challenges that hinder efforts to collect large benchmark datasets for marine robot perception. Furthermore, a low abundance of targets of interest relative to the size of the search space leads to increased time and cost required to collect useful datasets for a specific task. As a result, there is limited availability of labeled benchmark datasets for underwater applications. We present the AI4Shipwrecks dataset, which consists of 24 distinct shipwreck sites totaling 286 high-resolution labeled side scan sonar images to advance the state-of-the-art in autonomous sonar image understanding. We leverage the unique abundance of targets in Thunder Bay National Marine Sanctuary in Lake Huron, MI, to collect and compile a sonar imagery benchmark dataset through surveys with an autonomous underwater vehicle (AUV). We consulted with expert marine archaeologists for the labeling of robotically gathered data. We then leverage this dataset to perform benchmark experiments for comparison of state-of-the-art supervised segmentation methods, and we present insights on opportunities and open challenges for the field. The dataset and benchmarking tools will be released as an open-source benchmark dataset to spur innovation in machine learning for Great Lakes and ocean exploration. The dataset and accompanying software are available at https://umfieldrobotics.github.io/ai4shipwrecks/.

This paper describes the development of an on-board data-driven system that can monitor and localize the fault in a quadrotor unmanned aerial vehicle (UAV) and at the same time, evaluate the degree of damage of the fault under real scenarios. To achieve offline training data generation, a hybrid approach is proposed for the development of a virtual data-generative model using a combination of data-driven models as well as well-established dynamic models that describe the kinematics of the UAV. To effectively represent the drop in performance of a faulty propeller, a variation of the deep neural network, a LSTM network is proposed. With the RPM of the propeller as input and based on the fault condition of the propeller, the proposed propeller model estimates the resultant torque and thrust. Then, flight datasets of the UAV under various fault scenarios are generated via simulation using the developed data-generative model. Lastly, a fault classifier using a CNN model is proposed to identify as well as evaluate the degree of damage to the damaged propeller. The scope of this paper focuses on the identification of faulty propellers and classification of the fault level for quadrotor UAVs using RPM as well as flight data. Doing so allows for early minor fault detection to prevent serious faults from occurring if the fault is left unrepaired. To further validate the workability of this approach outside of simulation, a real-flight test is conducted indoors. The real flight data is collected and a simulation to real sim-real test is conducted. Due to the imperfections in the build of our experimental UAV, a slight calibration approach to our simulation model is further proposed and the experimental results obtained show that our trained model can identify the location of propeller fault as well as the degree/type of damage. Currently, the diagnosis accuracy on the testing set is over 80%.

Machine learning is now used in many applications thanks to its ability to predict, generate, or discover patterns from large quantities of data. However, the process of collecting and transforming data for practical use is intricate. Even in today's digital era, where substantial data is generated daily, it is uncommon for it to be readily usable; most often, it necessitates meticulous manual data preparation. The haste in developing new models can frequently result in various shortcomings, potentially posing risks when deployed in real-world scenarios (eg social discrimination, critical failures), leading to the failure or substantial escalation of costs in AI-based projects. This chapter provides a comprehensive overview of established methodological tools, enriched by our practical experience, in the development of datasets for machine learning. Initially, we develop the tasks involved in dataset development and offer insights into their effective management (including requirements, design, implementation, evaluation, distribution, and maintenance). Then, we provide more details about the implementation process which includes data collection, transformation, and quality evaluation. Finally, we address practical considerations regarding dataset distribution and maintenance.

The development of natural language processing (NLP) in general and machine reading comprehension in particular has attracted the great attention of the research community. In recent years, there are a few datasets for machine reading comprehension tasks in Vietnamese with large sizes, such as UIT-ViQuAD and UIT-ViNewsQA. However, the datasets are not diverse in answers to serve the research. In this paper, we introduce UIT-ViWikiQA, the first dataset for evaluating sentence extraction-based machine reading comprehension in the Vietnamese language. The UIT-ViWikiQA dataset is converted from the UIT-ViQuAD dataset, consisting of comprises 23.074 question-answers based on 5.109 passages of 174 Wikipedia Vietnamese articles. We propose a conversion algorithm to create the dataset for sentence extraction-based machine reading comprehension and three types of approaches for sentence extraction-based machine reading comprehension in Vietnamese. Our experiments show that the best machine model is XLM-R_Large, which achieves an exact match (EM) of 85.97% and an F1-score of 88.77% on our dataset. Besides, we analyze experimental results in terms of the question type in Vietnamese and the effect of context on the performance of the MRC models, thereby showing the challenges from the UIT-ViWikiQA dataset that we propose to the language processing community.

Background: Recent advances in large language models highlight the need for high-quality multilingual medical datasets. While Japan leads globally in CT scanner deployment and utilization, the lack of large-scale Japanese radiology datasets has hindered the development of specialized language models for medical imaging analysis. Objective: To develop a comprehensive Japanese CT report dataset through machine translation and establish a specialized language model for structured finding classification. Additionally, to create a rigorously validated evaluation dataset through expert radiologist review. Methods: We translated the CT-RATE dataset (24,283 CT reports from 21,304 patients) into Japanese using GPT-4o mini. The training dataset consisted of 22,778 machine-translated reports, while the validation dataset included 150 radiologist-revised reports. We developed CT-BERT-JPN based on "tohoku-nlp/bert-base-japanese-v3" architecture for extracting 18 structured findings from Japanese radiology reports. Results: Translation metrics showed strong performance with BLEU scores of 0.731 and 0.690, and ROUGE scores ranging from 0.770 to 0.876 for Findings and from 0.748 to 0.857 for Impression sections. CT-BERT-JPN demonstrated superior performance compared to GPT-4o in 11 out of 18 conditions, including lymphadenopathy (+14.2%), interlobular septal thickening (+10.9%), and atelectasis (+7.4%). The model maintained F1 scores exceeding 0.95 in 14 out of 18 conditions and achieved perfect scores in four conditions. Conclusions: Our study establishes a robust Japanese CT report dataset and demonstrates the effectiveness of a specialized language model for structured finding classification. The hybrid approach of machine translation and expert validation enables the creation of large-scale medical datasets while maintaining high quality.

Machine reading comprehension (MRC) aims to teach machines to read and comprehend human languages, which is a long-standing goal of natural language processing (NLP). With the burst of deep neural networks and the evolution of contextualized language models (CLMs), the research of MRC has experienced two significant breakthroughs. MRC and CLM, as a phenomenon, have a great impact on the NLP community. In this survey, we provide a comprehensive and comparative review on MRC covering overall research topics about 1) the origin and development of MRC and CLM, with a particular focus on the role of CLMs; 2) the impact of MRC and CLM to the NLP community; 3) the definition, datasets, and evaluation of MRC; 4) general MRC architecture and technical methods in the view of two-stage Encoder-Decoder solving architecture from the insights of the cognitive process of humans; 5) previous highlights, emerging topics, and our empirical analysis, among which we especially focus on what works in different periods of MRC researches. We propose a full-view categorization and new taxonomies on these topics. The primary views we have arrived at are that 1) MRC boosts the progress from language processing to understanding; 2) the rapid improvement of MRC systems greatly benefits from the development of CLMs; 3) the theme of MRC is gradually moving from shallow text matching to cognitive reasoning.

Anxiety is a common mental health condition characterised by excessive worry, fear and apprehension about everyday situations. Even with significant progress over the past few years, predicting anxiety from electroencephalographic (EEG) signals, specifically using error-related negativity (ERN), still remains challenging. Following the PRISMA protocol, this paper systematically reviews 54 research papers on using EEG and ERN markers for anxiety detection published in the last 10 years (2013 -- 2023). Our analysis highlights the wide usage of traditional machine learning, such as support vector machines and random forests, as well as deep learning models, such as convolutional neural networks and recurrent neural networks across different data types. Our analysis reveals that the development of a robust and generic anxiety prediction method still needs to address real-world challenges, such as task-specific setup, feature selection and computational modelling. We conclude this review by offering potential future direction for non-invasive, objective anxiety diagnostics, deployed across diverse populations and anxiety sub-types.

With the development of large language models (LLMs), detecting whether text is generated by a machine becomes increasingly challenging in the face of malicious use cases like the spread of false information, protection of intellectual property, and prevention of academic plagiarism. While well-trained text detectors have demonstrated promising performance on unseen test data, recent research suggests that these detectors have vulnerabilities when dealing with adversarial attacks such as paraphrasing. In this paper, we propose a framework for a broader class of adversarial attacks, designed to perform minor perturbations in machine-generated content to evade detection. We consider two attack settings: white-box and black-box, and employ adversarial learning in dynamic scenarios to assess the potential enhancement of the current detection model's robustness against such attacks. The empirical results reveal that the current detection models can be compromised in as little as 10 seconds, leading to the misclassification of machine-generated text as human-written content. Furthermore, we explore the prospect of improving the model's robustness over iterative adversarial learning. Although some improvements in model robustness are observed, practical applications still face significant challenges. These findings shed light on the future development of AI-text detectors, emphasizing the need for more accurate and robust detection methods.

Although membership inference attacks (MIAs) and machine-generated text detection target different goals, identifying training samples and synthetic texts, their methods often exploit similar signals based on a language model's probability distribution. Despite this shared methodological foundation, the two tasks have been independently studied, which may lead to conclusions that overlook stronger methods and valuable insights developed in the other task. In this work, we theoretically and empirically investigate the transferability, i.e., how well a method originally developed for one task performs on the other, between MIAs and machine text detection. For our theoretical contribution, we prove that the metric that achieves the asymptotically highest performance on both tasks is the same. We unify a large proportion of the existing literature in the context of this optimal metric and hypothesize that the accuracy with which a given method approximates this metric is directly correlated with its transferability. Our large-scale empirical experiments, including 7 state-of-the-art MIA methods and 5 state-of-the-art machine text detectors across 13 domains and 10 generators, demonstrate very strong rank correlation (rho > 0.6) in cross-task performance. We notably find that Binoculars, originally designed for machine text detection, achieves state-of-the-art performance on MIA benchmarks as well, demonstrating the practical impact of the transferability. Our findings highlight the need for greater cross-task awareness and collaboration between the two research communities. To facilitate cross-task developments and fair evaluations, we introduce MINT, a unified evaluation suite for MIAs and machine-generated text detection, with implementation of 15 recent methods from both tasks.

A suitable feature representation that can both preserve the data intrinsic information and reduce data complexity and dimensionality is key to the performance of machine learning models. Deeply rooted in algebraic topology, persistent homology (PH) provides a delicate balance between data simplification and intrinsic structure characterization, and has been applied to various areas successfully. However, the combination of PH and machine learning has been hindered greatly by three challenges, namely topological representation of data, PH-based distance measurements or metrics, and PH-based feature representation. With the development of topological data analysis, progresses have been made on all these three problems, but widely scattered in different literatures. In this paper, we provide a systematical review of PH and PH-based supervised and unsupervised models from a computational perspective. Our emphasizes are the recent development of mathematical models and tools, including PH softwares and PH-based functions, feature representations, kernels, and similarity models. Essentially, this paper can work as a roadmap for the practical application of PH-based machine learning tools. Further, we consider different topological feature representations in different machine learning models, and investigate their impacts on the protein secondary structure classification.

We present a novel approach for integrating Myers-Briggs Type Indicator (MBTI) personality traits into large language models (LLMs), addressing the challenges of personality consistency in personalized AI. Our method, "Machine Mindset," involves a two-phase fine-tuning and Direct Preference Optimization (DPO) to embed MBTI traits into LLMs. This approach ensures that models internalize these traits, offering a stable and consistent personality profile. We demonstrate the effectiveness of our models across various domains, showing alignment between model performance and their respective MBTI traits. The paper highlights significant contributions in the development of personality datasets and a new training methodology for personality integration in LLMs, enhancing the potential for personalized AI applications. We also open-sourced our model and part of the data at https://github.com/PKU-YuanGroup/Machine-Mindset.

This paper discusses Centre for Development of Advanced Computing Mumbai's (CDACM) submission to the NLP Tools Contest on Statistical Machine Translation in Indian Languages (ILSMT) 2014 (collocated with ICON 2014). The objective of the contest was to explore the effectiveness of Statistical Machine Translation (SMT) for Indian language to Indian language and English-Hindi machine translation. In this paper, we have proposed that suffix separation and word splitting for SMT from agglutinative languages to Hindi significantly improves over the baseline (BL). We have also shown that the factored model with reordering outperforms the phrase-based SMT for English-Hindi (\enhi). We report our work on all five pairs of languages, namely Bengali-Hindi (\bnhi), Marathi-Hindi (\mrhi), Tamil-Hindi (\tahi), Telugu-Hindi (\tehi), and \enhi for Health, Tourism, and General domains.

Human mind is the palace of curious questions that seek answers. Computational resolution of this challenge is possible through Natural Language Processing techniques. Statistical techniques like machine learning and deep learning require a lot of data to train and despite that they fail to tap into the nuances of language. Such systems usually perform best on close-domain datasets. We have proposed development of a rule-based open-domain question-answering system which is capable of answering questions of any domain from a corresponding context passage. We have used 1000 questions from SQuAD 2.0 dataset for testing the developed system and it gives satisfactory results. In this paper, we have described the structure of the developed system and have analyzed the performance.

Machine learning research has long focused on models rather than datasets, and prominent datasets are used for common ML tasks without regard to the breadth, difficulty, and faithfulness of the underlying problems. Neglecting the fundamental importance of data has given rise to inaccuracy, bias, and fragility in real-world applications, and research is hindered by saturation across existing dataset benchmarks. In response, we present DataPerf, a community-led benchmark suite for evaluating ML datasets and data-centric algorithms. We aim to foster innovation in data-centric AI through competition, comparability, and reproducibility. We enable the ML community to iterate on datasets, instead of just architectures, and we provide an open, online platform with multiple rounds of challenges to support this iterative development. The first iteration of DataPerf contains five benchmarks covering a wide spectrum of data-centric techniques, tasks, and modalities in vision, speech, acquisition, debugging, and diffusion prompting, and we support hosting new contributed benchmarks from the community. The benchmarks, online evaluation platform, and baseline implementations are open source, and the MLCommons Association will maintain DataPerf to ensure long-term benefits to academia and industry.

Language models (LMs) are trained on vast amounts of text data, which may include private and copyrighted content. Data owners may request the removal of their data from a trained model due to privacy or copyright concerns. However, exactly unlearning only these datapoints (i.e., retraining with the data removed) is intractable in modern-day models. This has led to the development of many approximate unlearning algorithms. The evaluation of the efficacy of these algorithms has traditionally been narrow in scope, failing to precisely quantify the success and practicality of the algorithm from the perspectives of both the model deployers and the data owners. We address this issue by proposing MUSE, a comprehensive machine unlearning evaluation benchmark that enumerates six diverse desirable properties for unlearned models: (1) no verbatim memorization, (2) no knowledge memorization, (3) no privacy leakage, (4) utility preservation on data not intended for removal, (5) scalability with respect to the size of removal requests, and (6) sustainability over sequential unlearning requests. Using these criteria, we benchmark how effectively eight popular unlearning algorithms on 7B-parameter LMs can unlearn Harry Potter books and news articles. Our results demonstrate that most algorithms can prevent verbatim memorization and knowledge memorization to varying degrees, but only one algorithm does not lead to severe privacy leakage. Furthermore, existing algorithms fail to meet deployer's expectations because they often degrade general model utility and also cannot sustainably accommodate successive unlearning requests or large-scale content removal. Our findings identify key issues with the practicality of existing unlearning algorithms on language models, and we release our benchmark to facilitate further evaluations: muse-bench.github.io

With the rapid development and widespread application of Large Language Models (LLMs), rigorous evaluation has become particularly crucial. This research adopts a novel perspective, focusing on evaluating the core computational reasoning ability of LLMs, defined as the capacity of model to accurately understand rules, and execute logically computing operations. This capability assesses the reliability of LLMs as precise executors, and is critical to advanced tasks such as complex code generation and multi-step problem-solving. We propose an evaluation framework based on Universal Turing Machine (UTM) simulation. This framework requires LLMs to strictly follow instructions and track dynamic states, such as tape content and read/write head position, during multi-step computations. To enable standardized evaluation, we developed TMBench, a benchmark for systematically studying the computational reasoning capabilities of LLMs. TMBench provides several key advantages, including knowledge-agnostic evaluation, adjustable difficulty, foundational coverage through Turing machine encoding, and unlimited capacity for instance generation, ensuring scalability as models continue to evolve. We find that model performance on TMBench correlates strongly with performance on other recognized reasoning benchmarks (Pearson correlation coefficient is 0.73), clearly demonstrating that computational reasoning is a significant dimension for measuring the deep capabilities of LLMs. Code and data are available at https://github.com/HaitaoWuTJU/Turing-Machine-Bench.

Computational quantum chemistry plays a critical role in drug discovery, chemical synthesis, and materials science. While first-principles methods, such as density functional theory (DFT), provide high accuracy in modeling electronic structures and predicting molecular properties, they are computationally expensive. Machine learning interatomic potentials (MLIPs) have emerged as promising surrogate models that aim to achieve DFT-level accuracy while enabling efficient large-scale atomistic simulations. The development of accurate and transferable MLIPs requires large-scale, high-quality datasets with both energy and force labels. Critically, MLIPs must generalize not only to stable geometries but also to intermediate, non-equilibrium conformations encountered during atomistic simulations. In this work, we introduce PubChemQCR, a large-scale dataset of molecular relaxation trajectories curated from the raw geometry optimization outputs of the PubChemQC project. PubChemQCR is the largest publicly available dataset of DFT-based relaxation trajectories for small organic molecules, comprising approximately 3.5 million trajectories and over 300 million molecular conformations computed at various levels of theory. Each conformation is labeled with both total energy and atomic forces, making the dataset suitable for training and evaluating MLIPs. To provide baselines for future developments, we benchmark nine representative MLIP models on the dataset. Our resources are publicly available at https://huggingface.co/divelab

Large language models have significantly advanced Multilingual Machine Translation (MMT), yet the broad language coverage, consistent translation quality, and English-centric bias remain open challenges. To address these challenges, we introduce LMT, a suite of Large-scale Multilingual Translation models centered on both Chinese and English, covering 60 languages and 234 translation directions. During development, we identify a previously overlooked phenomenon of directional degeneration, where symmetric multi-way fine-tuning data overemphasize reverse directions (X to En/Zh), leading to excessive many-to-one mappings and degraded translation quality. We propose Strategic Downsampling, a simple yet effective method to mitigate this degeneration. In addition, we design Parallel Multilingual Prompting (PMP), which leverages typologically related auxiliary languages to enhance cross-lingual transfer. Through rigorous data curation and refined adaptation strategies, LMT achieves SOTA performance among models of comparable language coverage, with our 4B model (LMT-60-4B) surpassing the much larger Aya-101-13B and NLLB-54B models by a substantial margin. We release LMT in four sizes (0.6B/1.7B/4B/8B) to catalyze future research and provide strong baselines for inclusive, scalable, and high-quality MMT \href{https://github.com/NiuTrans/LMT{https://github.com/NiuTrans/LMT}}.

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.

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.

Classical empirical force fields have dominated biomolecular simulation for over 50 years. Although widely used in drug discovery, crystal structure prediction, and biomolecular dynamics, they generally lack the accuracy and transferability required for first-principles predictive modeling. In this paper, we introduce MACE-OFF, a series of short range transferable force fields for organic molecules created using state-of-the-art machine learning technology and first-principles reference data computed with a high level of quantum mechanical theory. MACE-OFF demonstrates the remarkable capabilities of short range models by accurately predicting a wide variety of gas and condensed phase properties of molecular systems. It produces accurate, easy-to-converge dihedral torsion scans of unseen molecules, as well as reliable descriptions of molecular crystals and liquids, including quantum nuclear effects. We further demonstrate the capabilities of MACE-OFF by determining free energy surfaces in explicit solvent, as well as the folding dynamics of peptides.Finally, we simulate a fully solvated small protein, observing accurate secondary structure and vibrational spectrum. These developments enable first-principles simulations of molecular systems for the broader chemistry community at high accuracy and relatively low computational cost.

Software that contains machine learning algorithms is an integral part of automotive perception, for example, in driving automation systems. The development of such software, specifically the training and validation of the machine learning components, require large annotated datasets. An industry of data and annotation services has emerged to serve the development of such data-intensive automotive software components. Wide-spread difficulties to specify data and annotation needs challenge collaborations between OEMs (Original Equipment Manufacturers) and their suppliers of software components, data, and annotations. This paper investigates the reasons for these difficulties for practitioners in the Swedish automotive industry to arrive at clear specifications for data and annotations. The results from an interview study show that a lack of effective metrics for data quality aspects, ambiguities in the way of working, unclear definitions of annotation quality, and deficits in the business ecosystems are causes for the difficulty in deriving the specifications. We provide a list of recommendations that can mitigate challenges when deriving specifications and we propose future research opportunities to overcome these challenges. Our work contributes towards the on-going research on accountability of machine learning as applied to complex software systems, especially for high-stake applications such as automated driving.

Many soft-body organisms found in nature flourish underwater. Similarly, soft robots are potentially well-suited for underwater environments partly because the problematic effects of gravity, friction, and harmonic oscillations are less severe underwater. However, it remains a challenge to design, fabricate, waterproof, model, and control underwater soft robotic systems. Furthermore, submersible robots usually do not have configurable components because of the need for sealed electronics and mechanical elements. This work presents the development of a modular and submersible soft robotic arm driven by hydraulic actuators which consists of mostly 3D printable parts which can be assembled or modified in a relatively short amount of time. Its modular design enables multiple shape configurations and easy swapping of soft actuators. As a first step to exploring machine learning control algorithms on this system, we also present preliminary forward and inverse kinematics models developed using deep neural networks.

We report upon the results of a research and prototype building project Worldly~OCR dedicated to developing new, more accurate image-to-text conversion software for several languages and writing systems. These include the cursive scripts Farsi and Pashto, and Latin cursive scripts. We also describe approaches geared towards Traditional Chinese, which is non-cursive, but features an extremely large character set of 65,000 characters. Our methodology is based on Machine Learning, especially Deep Learning, and Data Science, and is directed towards vast quantities of original documents, exceeding a billion pages. The target audience of this paper is a general audience with interest in Digital Humanities or in retrieval of accurate full-text and metadata from digital images.

Machine learning potentials (MLPs) trained on accurate quantum chemical data can retain the high accuracy, while inflicting little computational demands. On the downside, they need to be trained for each individual system. In recent years, a vast number of MLPs has been trained from scratch because learning additional data typically requires to train again on all data to not forget previously acquired knowledge. Additionally, most common structural descriptors of MLPs cannot represent efficiently a large number of different chemical elements. In this work, we tackle these problems by introducing element-embracing atom-centered symmetry functions (eeACSFs) which combine structural properties and element information from the periodic table. These eeACSFs are a key for our development of a lifelong machine learning potential (lMLP). Uncertainty quantification can be exploited to transgress a fixed, pre-trained MLP to arrive at a continuously adapting lMLP, because a predefined level of accuracy can be ensured. To extend the applicability of an lMLP to new systems, we apply continual learning strategies to enable autonomous and on-the-fly training on a continuous stream of new data. For the training of deep neural networks, we propose the continual resilient (CoRe) optimizer and incremental learning strategies relying on rehearsal of data, regularization of parameters, and the architecture of the model.

We present Charles Translator, a machine translation system between Ukrainian and Czech, developed as part of a society-wide effort to mitigate the impact of the Russian-Ukrainian war on individuals and society. The system was developed in the spring of 2022 with the help of many language data providers in order to quickly meet the demand for such a service, which was not available at the time in the required quality. The translator was later implemented as an online web interface and as an Android app with speech input, both featuring Cyrillic-Latin script transliteration. The system translates directly, compared to other available systems that use English as a pivot, and thus take advantage of the typological similarity of the two languages. It uses the block back-translation method, which allows for efficient use of monolingual training data. The paper describes the development process, including data collection and implementation, evaluation, mentions several use cases, and outlines possibilities for the further development of the system for educational purposes.

The rapid development of universal machine learning interatomic potentials (uMLIPs) has demonstrated the possibility for generalizable learning of the universal potential energy surface. In principle, the accuracy of uMLIPs can be further improved by bridging the model from lower-fidelity datasets to high-fidelity ones. In this work, we analyze the challenge of this transfer learning problem within the CHGNet framework. We show that significant energy scale shifts and poor correlations between GGA and r^2SCAN pose challenges to cross-functional data transferability in uMLIPs. By benchmarking different transfer learning approaches on the MP-r^2SCAN dataset of 0.24 million structures, we demonstrate the importance of elemental energy referencing in the transfer learning of uMLIPs. By comparing the scaling law with and without the pre-training on a low-fidelity dataset, we show that significant data efficiency can still be achieved through transfer learning, even with a target dataset of sub-million structures. We highlight the importance of proper transfer learning and multi-fidelity learning in creating next-generation uMLIPs on high-fidelity data.

Drawing from discussions at the inaugural DMLR workshop at ICML 2023 and meetings prior, in this report we outline the relevance of community engagement and infrastructure development for the creation of next-generation public datasets that will advance machine learning science. We chart a path forward as a collective effort to sustain the creation and maintenance of these datasets and methods towards positive scientific, societal and business impact.

Many have observed that the development and deployment of generative machine learning (ML) and artificial intelligence (AI) models follow a distinctive pattern in which pre-trained models are adapted and fine-tuned for specific downstream tasks. However, there is limited empirical work that examines the structure of these interactions. This paper analyzes 1.86 million models on Hugging Face, a leading peer production platform for model development. Our study of model family trees -- networks that connect fine-tuned models to their base or parent -- reveals sprawling fine-tuning lineages that vary widely in size and structure. Using an evolutionary biology lens to study ML models, we use model metadata and model cards to measure the genetic similarity and mutation of traits over model families. We find that models tend to exhibit a family resemblance, meaning their genetic markers and traits exhibit more overlap when they belong to the same model family. However, these similarities depart in certain ways from standard models of asexual reproduction, because mutations are fast and directed, such that two `sibling' models tend to exhibit more similarity than parent/child pairs. Further analysis of the directional drifts of these mutations reveals qualitative insights about the open machine learning ecosystem: Licenses counter-intuitively drift from restrictive, commercial licenses towards permissive or copyleft licenses, often in violation of upstream license's terms; models evolve from multi-lingual compatibility towards english-only compatibility; and model cards reduce in length and standardize by turning, more often, to templates and automatically generated text. Overall, this work takes a step toward an empirically grounded understanding of model fine-tuning and suggests that ecological models and methods can yield novel scientific insights.

Recent advances of data-driven machine learning have revolutionized fields like computer vision, reinforcement learning, and many scientific and engineering domains. In many real-world and scientific problems, systems that generate data are governed by physical laws. Recent work shows that it provides potential benefits for machine learning models by incorporating the physical prior and collected data, which makes the intersection of machine learning and physics become a prevailing paradigm. By integrating the data and mathematical physics models seamlessly, it can guide the machine learning model towards solutions that are physically plausible, improving accuracy and efficiency even in uncertain and high-dimensional contexts. In this survey, we present this learning paradigm called Physics-Informed Machine Learning (PIML) which is to build a model that leverages empirical data and available physical prior knowledge to improve performance on a set of tasks that involve a physical mechanism. We systematically review the recent development of physics-informed machine learning from three perspectives of machine learning tasks, representation of physical prior, and methods for incorporating physical prior. We also propose several important open research problems based on the current trends in the field. We argue that encoding different forms of physical prior into model architectures, optimizers, inference algorithms, and significant domain-specific applications like inverse engineering design and robotic control is far from being fully explored in the field of physics-informed machine learning. We believe that the interdisciplinary research of physics-informed machine learning will significantly propel research progress, foster the creation of more effective machine learning models, and also offer invaluable assistance in addressing long-standing problems in related disciplines.

For the early identification, diagnosis, and treatment of mental health illnesses, the integration of deep learning (DL) and machine learning (ML) has started playing a significant role. By evaluating complex data from imaging, genetics, and behavioral assessments, these technologies have the potential to significantly improve clinical outcomes. However, they also present unique challenges related to data integration and ethical issues. This survey reviews the development of ML and DL methods for the early diagnosis and treatment of mental health issues. It examines a range of applications, with a particular emphasis on behavioral assessments, genetic and biomarker analysis, and medical imaging for diagnosing diseases like depression, bipolar disorder, and schizophrenia. Predictive modeling for illness progression is further discussed, focusing on the role of risk prediction models and longitudinal studies. Key findings highlight how ML and DL can improve diagnostic accuracy and treatment outcomes while addressing methodological inconsistencies, data integration challenges, and ethical concerns. The study emphasizes the importance of building real-time monitoring systems for individualized treatment, enhancing data fusion techniques, and fostering interdisciplinary collaboration. Future research should focus on overcoming these obstacles to ensure the valuable and ethical application of ML and DL in mental health services.

Accurate prognosis for an individual patient is a key component of precision oncology. Recent advances in machine learning have enabled the development of models using a wider range of data, including imaging. Radiomics aims to extract quantitative predictive and prognostic biomarkers from routine medical imaging, but evidence for computed tomography radiomics for prognosis remains inconclusive. We have conducted an institutional machine learning challenge to develop an accurate model for overall survival prediction in head and neck cancer using clinical data etxracted from electronic medical records and pre-treatment radiological images, as well as to evaluate the true added benefit of radiomics for head and neck cancer prognosis. Using a large, retrospective dataset of 2,552 patients and a rigorous evaluation framework, we compared 12 different submissions using imaging and clinical data, separately or in combination. The winning approach used non-linear, multitask learning on clinical data and tumour volume, achieving high prognostic accuracy for 2-year and lifetime survival prediction and outperforming models relying on clinical data only, engineered radiomics and deep learning. Combining all submissions in an ensemble model resulted in improved accuracy, with the highest gain from a image-based deep learning model. Our results show the potential of machine learning and simple, informative prognostic factors in combination with large datasets as a tool to guide personalized cancer care.

We report our experiments in building a domain-specific Tigrinya-to-English neural machine translation system. We use transfer learning from other Ge'ez script languages and report an improvement of 1.3 BLEU points over a classic neural baseline. We publish our development pipeline as an open-source library and also provide a demonstration application.

Farmers face several challenges when growing crops like uncertain irrigation, poor soil quality, etc. Especially in India, a major fraction of farmers do not have the knowledge to select appropriate crops and fertilizers. Moreover, crop failure due to disease causes a significant loss to the farmers, as well as the consumers. While there have been recent developments in the automated detection of these diseases using Machine Learning techniques, the utilization of Deep Learning has not been fully explored. Additionally, such models are not easy to use because of the high-quality data used in their training, lack of computational power, and poor generalizability of the models. To this end, we create an open-source easy-to-use web application to address some of these issues which may help improve crop production. In particular, we support crop recommendation, fertilizer recommendation, plant disease prediction, and an interactive news-feed. In addition, we also use interpretability techniques in an attempt to explain the prediction made by our disease detection model.

Machine learning techniques are essential tools to compute efficient, yet accurate, force fields for atomistic simulations. This approach has recently been extended to incorporate quantum computational methods, making use of variational quantum learning models to predict potential energy surfaces and atomic forces from ab initio training data. However, the trainability and scalability of such models are still limited, due to both theoretical and practical barriers. Inspired by recent developments in geometric classical and quantum machine learning, here we design quantum neural networks that explicitly incorporate, as a data-inspired prior, an extensive set of physically relevant symmetries. We find that our invariant quantum learning models outperform their more generic counterparts on individual molecules of growing complexity. Furthermore, we study a water dimer as a minimal example of a system with multiple components, showcasing the versatility of our proposed approach and opening the way towards larger simulations. Our results suggest that molecular force fields generation can significantly profit from leveraging the framework of geometric quantum machine learning, and that chemical systems represent, in fact, an interesting and rich playground for the development and application of advanced quantum machine learning tools.

Large Language Models (LLMs) are gearing up to surpass human creativity. The veracity of the statement needs careful consideration. In recent developments, critical questions arise regarding the authenticity of human work and the preservation of their creativity and innovative abilities. This paper investigates such issues. This paper addresses machine-generated text detection across several scenarios, including document-level binary and multiclass classification or generator attribution, sentence-level segmentation to differentiate between human-AI collaborative text, and adversarial attacks aimed at reducing the detectability of machine-generated text. We introduce a new work called BMAS English: an English language dataset for binary classification of human and machine text, for multiclass classification, which not only identifies machine-generated text but can also try to determine its generator, and Adversarial attack addressing where it is a common act for the mitigation of detection, and Sentence-level segmentation, for predicting the boundaries between human and machine-generated text. We believe that this paper will address previous work in Machine-Generated Text Detection (MGTD) in a more meaningful way.

Machine Learning (ML) has become a fast-growing, trending approach in solution development in practice. Deep Learning (DL) which is a subset of ML, learns using deep neural networks to simulate the human brain. It trains machines to learn techniques and processes individually using computer algorithms, which is also considered to be a role of Artificial Intelligence (AI). In this paper, we study current technical issues related to software development and delivery in organizations that work on ML projects. Therefore, the importance of the Machine Learning Operations (MLOps) concept, which can deliver appropriate solutions for such concerns, is discussed. We investigate commercially available MLOps tool support in software development. The comparison between MLOps tools analyzes the performance of each system and its use cases. Moreover, we examine the features and usability of MLOps tools to identify the most appropriate tool support for given scenarios. Finally, we recognize that there is a shortage in the availability of a fully functional MLOps platform on which processes can be automated by reducing human intervention.

Curriculum Learning is the presentation of samples to the machine learning model in a meaningful order instead of a random order. The main challenge of Curriculum Learning is determining how to rank these samples. The ranking of the samples is expressed by the scoring function. In this study, scoring functions were compared using data set features, using the model to be trained, and using another model and their ensemble versions. Experiments were performed for 4 images and 4 text datasets. No significant differences were found between scoring functions for text datasets, but significant improvements were obtained in scoring functions created using transfer learning compared to classical model training and other scoring functions for image datasets. It shows that different new scoring functions are waiting to be found for text classification tasks.

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.

The liquid state machine (LSM) combines low training complexity and biological plausibility, which has made it an attractive machine learning framework for edge and neuromorphic computing paradigms. Originally proposed as a model of brain computation, the LSM tunes its internal weights without backpropagation of gradients, which results in lower performance compared to multi-layer neural networks. Recent findings in neuroscience suggest that astrocytes, a long-neglected non-neuronal brain cell, modulate synaptic plasticity and brain dynamics, tuning brain networks to the vicinity of the computationally optimal critical phase transition between order and chaos. Inspired by this disruptive understanding of how brain networks self-tune, we propose the neuron-astrocyte liquid state machine (NALSM) that addresses under-performance through self-organized near-critical dynamics. Similar to its biological counterpart, the astrocyte model integrates neuronal activity and provides global feedback to spike-timing-dependent plasticity (STDP), which self-organizes NALSM dynamics around a critical branching factor that is associated with the edge-of-chaos. We demonstrate that NALSM achieves state-of-the-art accuracy versus comparable LSM methods, without the need for data-specific hand-tuning. With a top accuracy of 97.61% on MNIST, 97.51% on N-MNIST, and 85.84% on Fashion-MNIST, NALSM achieved comparable performance to current fully-connected multi-layer spiking neural networks trained via backpropagation. Our findings suggest that the further development of brain-inspired machine learning methods has the potential to reach the performance of deep learning, with the added benefits of supporting robust and energy-efficient neuromorphic computing on the edge.

The rapid urbanization of cities and increasing vehicular congestion have posed significant challenges to traffic management and safety. This study explores the transformative potential of artificial intelligence (AI) and machine vision technologies in revolutionizing traffic systems. By leveraging advanced surveillance cameras and deep learning algorithms, this research proposes a system for real-time detection of vehicles, traffic anomalies, and driver behaviors. The system integrates geospatial and weather data to adapt dynamically to environmental conditions, ensuring robust performance in diverse scenarios. Using YOLOv8 and YOLOv11 models, the study achieves high accuracy in vehicle detection and anomaly recognition, optimizing traffic flow and enhancing road safety. These findings contribute to the development of intelligent traffic management solutions and align with the vision of creating smart cities with sustainable and efficient urban infrastructure.

The proliferation of Machine Learning (ML) models and their open-source implementations has transformed Artificial Intelligence research and applications. Platforms like Hugging Face (HF) enable the development, sharing, and deployment of these models, fostering an evolving ecosystem. While previous studies have examined aspects of models hosted on platforms like HF, a comprehensive longitudinal study of how these models change remains underexplored. This study addresses this gap by utilizing both repository mining and longitudinal analysis methods to examine over 200,000 commits and 1,200 releases from over 50,000 models on HF. We replicate and extend an ML change taxonomy for classifying commits and utilize Bayesian networks to uncover patterns in commit and release activities over time. Our findings indicate that commit activities align with established data science methodologies, such as CRISP-DM, emphasizing iterative refinement and continuous improvement. Additionally, release patterns tend to consolidate significant updates, particularly in documentation, distinguishing between granular changes and milestone-based releases. Furthermore, projects with higher popularity prioritize infrastructure enhancements early in their lifecycle, and those with intensive collaboration practices exhibit improved documentation standards. These and other insights enhance the understanding of model changes on community platforms and provide valuable guidance for best practices in model maintenance.

Effective and efficient mitigation of malware is a long-time endeavor in the information security community. The development of an anti-malware system that can counteract an unknown malware is a prolific activity that may benefit several sectors. We envision an intelligent anti-malware system that utilizes the power of deep learning (DL) models. Using such models would enable the detection of newly-released malware through mathematical generalization. That is, finding the relationship between a given malware x and its corresponding malware family y, f: x mapsto y. To accomplish this feat, we used the Malimg dataset (Nataraj et al., 2011) which consists of malware images that were processed from malware binaries, and then we trained the following DL models 1 to classify each malware family: CNN-SVM (Tang, 2013), GRU-SVM (Agarap, 2017), and MLP-SVM. Empirical evidence has shown that the GRU-SVM stands out among the DL models with a predictive accuracy of ~84.92%. This stands to reason for the mentioned model had the relatively most sophisticated architecture design among the presented models. The exploration of an even more optimal DL-SVM model is the next stage towards the engineering of an intelligent anti-malware system.

Artificial Intelligence (AI) has made its way into various scientific fields, providing astonishing improvements over existing algorithms for a wide variety of tasks. In recent years, there have been severe concerns over the trustworthiness of AI technologies. The scientific community has focused on the development of trustworthy AI algorithms. However, machine and deep learning algorithms, popular in the AI community today, depend heavily on the data used during their development. These learning algorithms identify patterns in the data, learning the behavioral objective. Any flaws in the data have the potential to translate directly into algorithms. In this study, we discuss the importance of Responsible Machine Learning Datasets and propose a framework to evaluate the datasets through a responsible rubric. While existing work focuses on the post-hoc evaluation of algorithms for their trustworthiness, we provide a framework that considers the data component separately to understand its role in the algorithm. We discuss responsible datasets through the lens of fairness, privacy, and regulatory compliance and provide recommendations for constructing future datasets. After surveying over 100 datasets, we use 60 datasets for analysis and demonstrate that none of these datasets is immune to issues of fairness, privacy preservation, and regulatory compliance. We provide modifications to the ``datasheets for datasets" with important additions for improved dataset documentation. With governments around the world regularizing data protection laws, the method for the creation of datasets in the scientific community requires revision. We believe this study is timely and relevant in today's era of AI.

Machine learning approaches for fringe projection profilometry (FPP) are hindered by the lack of large, diverse datasets and comprehensive benchmarking protocols. This paper introduces the first open-source, photorealistic synthetic dataset for FPP, generated using NVIDIA Isaac Sim with 15,600 fringe images and 300 depth reconstructions across 50 diverse objects. We benchmark four neural network architectures (UNet, Hformer, ResUNet, Pix2Pix) on single-shot depth reconstruction, revealing that all models achieve similar performance (58-77 mm RMSE) despite substantial architectural differences. Our results demonstrate fundamental limitations of direct fringe-to-depth mapping without explicit phase information, with reconstruction errors approaching 75-95\% of the typical object depth range. This resource provides standardized evaluation protocols enabling systematic comparison and development of learning-based FPP approaches.

With the rapid development of Large Language Models (LLMs), we have witnessed intense competition among the major LLM products like ChatGPT, LLaMa, and Gemini. However, various issues (e.g. privacy leakage and copyright violation) of the training corpus still remain underexplored. For example, the Times sued OpenAI and Microsoft for infringing on its copyrights by using millions of its articles for training. From the perspective of LLM practitioners, handling such unintended privacy violations can be challenging. Previous work addressed the ``unlearning" problem of LLMs using gradient information, while they mostly introduced significant overheads like data preprocessing or lacked robustness. In this paper, contrasting with the methods based on first-order information, we revisit the unlearning problem via the perspective of second-order information (Hessian). Our unlearning algorithms, which are inspired by classic Newton update, are not only data-agnostic/model-agnostic but also proven to be robust in terms of utility preservation or privacy guarantee. Through a comprehensive evaluation with four NLP datasets as well as a case study on real-world datasets, our methods consistently show superiority over the first-order methods.