Comparison

We present a unique, multitask dataset comprising 143 drug and drug candidate molecules, each evaluated on in vitro, parallel artificial-membrane permeability assays (PAMPA) using six different model membranes. Using this resource, we systematically assess the effectiveness of various molecular descriptors and regression models in predicting passive membrane permeability. The studied models range from simple linear regression to a modern pre-trained transformer architecture. Particular attention is given to the trade-off between predictive performance and model interpretability, highlighting the challenges introduced by machine learning approaches. To our knowledge, this is the most comprehensive study on simultaneous modeling of multiple organ-specific PAMPA membranes to date, offering novel insights into membrane-specific permeability profiles. We found that expert-designed physico-chemical property descriptors are more fitting for a limited sample size permeabilty study than deep learning based representations.

AI-powered edge computing security is moving Intelligent Transportation Systems (ITS) from passive, rule-based protections to proactive, smart, zero-touch, self-sufficient safeguards that neutralize threats in milliseconds. As transportation becomes more connected with edge computing, massive IoT, and advanced 5G for vehicle-to-everything (V2X) connectivity, AI at the edge computing nodes plays a crucial role in protecting against sophisticated threats, enabling URLLC (ultra-low-latency communications) for smart transport, and enhancing infrastructure capabilities and safety. This research applies edge computing to improve latency, bandwidth efficiency, and service responsiveness by moving processing closer to devices, gateways, and users. However, this shift also expands the cyberattack surface because edge nodes are distributed, heterogeneous, and often resource-constrained. The paper proposes a trust-aware federated hybrid intrusion detection framework in which a random forest, a decision tree, and a linear SVM network learn complementary traffic representations at each edge site, while a server performs trust-aware aggregation of local model updates.

Stance detection identifies the attitude of a text author toward a given target. Recent studies have explored various LLM-based strategies for this task, from zero-shot prompting to multi-agent debate. However, existing works differ in data splits, base models, and evaluation protocols, making fair comparison difficult. We conduct a systematic comparison that evaluates five methods across two categories -- prompt-based inference (Direct Prompting, Auto-CoT, StSQA) and agent-based debate (COLA, MPRF) -- on four datasets with 14 subtasks, using 15 LLMs from six model families with parameter sizes from 7B to 72B+. Our experiments yield several findings. First, on all models with complete results, the best prompt-based method outperforms the best agent-based method, while agent methods require 7 to 12 times more API calls per sample. Second, model scale has a larger impact on performance than method choice, with gains plateauing around 32B. Third, reasoning-enhanced models (DeepSeek-R1) do not consistently outperform general models of the same size on this task.

Physical video understanding requires more than naming an event correctly. A model can answer a question about pouring, sliding, or collision from textual regularities while still failing to localize the event in time or space. We introduce a grounded benchmark for physical video understanding that extends the what--when--where evaluation structure of V-STaR to four video sources, six physics domains, three prompt families (physics, vstar_like, and neutral_rstr), and four input conditions (original, shuffled, ablated, and frame-masked). The benchmark contains 1,560 base video clips from SSV2, YouCook2, HoloAssist, and Roundabout-TAU. Each clip is first converted into a shared grounded event record, and the three query families are derived from that record. Temporal and spatial targets are shared across prompt families, while the non-physics families use deterministic family-appropriate semantic a_what targets derived from the same record. Across models and prompt families, physics remains the strongest regime overall, vstar_like is the clearest non-physics semantic comparison, and neutral_rstr behaves as a harder templated control. Prompt-family robustness is selective rather than universal, perturbation gains cluster in weak original cases, and spatial grounding is the weakest across settings. These results suggest that video Q&A reasoning benchmarks shall report physically grounded, prompt-aware, and perturbation-aware diagnostics alongside aggregate accuracy.

This technical note revisits the relationship between RaBitQ and TurboQuant under a unified comparison framework. We compare the two methods in terms of methodology, theoretical guarantees, and empirical performance, using a reproducible, transparent, and symmetric setup. Our results show that, despite the claimed advantage of TurboQuant, TurboQuant performs worse than RaBitQ in most tested settings of inner-product estimation, nearest-neighbor search and KV cache quantization. We further find that several reported runtime and recall results in the TurboQuant paper could not be reproduced from the released implementation under the stated configuration. Overall, this note clarifies the shared structure and genuine differences between the two lines of work, while documenting reproducibility issues in the experimental results reported by the TurboQuant paper.

Online hate speech and abusive language pose a growing challenge for content moderation, especially in multilingual settings and for low-resource languages such as Lithuanian. This paper investigates to what extent modern multilingual sentence embedding models can support accurate hate speech detection in Lithuanian, Russian, and English, and how their performance depends on downstream modeling choices and feature dimensionality. We introduce LtHate, a new Lithuanian hate speech corpus derived from news portals and social networks, and benchmark six modern multilingual encoders (potion, gemma, bge, snow, jina, e5) on LtHate, RuToxic, and EnSuperset using a unified Python pipeline. For each embedding, we train both a one class HBOS anomaly detector and a two class CatBoost classifier, with and without principal component analysis (PCA) compression to 64-dimensional feature vectors. Across all datasets, two class supervised models consistently and substantially outperform one class anomaly detection, with the best configurations achieving up to 80.96% accuracy and AUC ROC of 0.887 in Lithuanian (jina), 92.19% accuracy and AUC ROC of 0.978 in Russian (e5), and 77.21% accuracy and AUC ROC of 0.859 in English (e5 with PCA). PCA compression preserves almost all discriminative power in the supervised setting, while showing some negative impact for the unsupervised anomaly detection case. These results demonstrate how modern multilingual sentence embeddings combined with gradient boosted decision trees provide robust soft-computing solutions for multilingual hate speech detection applications.

Quark-gluon discrimination provides a useful test case for studying how different machine-learning architectures learn the spatial structure of QCD radiation. In this work, we compare convolutional neural network (CNN), Vision Transformers (ViT), and hierarchical Swin Transformers using the same three-channel jet-image representation, consisting of charged-particle momentum, neutral-particle momentum, and charged-particle multiplicity from PYTHIA 8 jets. We study their performance for different training-set sizes and fine-tuning configurations, with particular attention to the role of local and global information in the jet images. CNN and Swin models consistently perform better than ViT in the cases studied. Since both CNN and Swin retain a strong local component in their architectures, this suggests that local jet substructure plays an important role in quark-gluon discrimination. The performance of the hierarchical Swin model also suggests that combining local features over larger spatial scales is useful. Block-wise fine-tuning improves the performance of the Transformer models, although the improvement becomes smaller and the training less stable as more blocks are unfrozen. We also find that self-supervised Momentum Contrast (MoCo) pretraining improves the model initialization, particularly when the amount of labeled training data is limited. Based on these observations, we developed a smaller Swin model adopted to the jet-image representation used in this study. It achieves comparable performance with substantially fewer parameters. The results show that it is important to adapt the model architecture and training procedure to the specific input characteristics of High Energy Physics (HEP) data when applying vision models in HEP.

Across the social and medical sciences, researchers recognize that specifying planned research activities (i.e., 'registration') prior to the commencement of research has benefits for both the transparency and rigour of science. Despite this, evidence suggests that study registrations frequently go unexamined, minimizing their effectiveness. In a way this is no surprise: manually checking registrations against papers is labour- and time-intensive, requiring careful reading across formats and expertise across domains. The advent of AI unlocks new possibilities in facilitating this activity. We present RegCheck, a modular LLM-assisted tool designed to help researchers, reviewers, and editors from across scientific disciplines compare study registrations with their corresponding papers. Importantly, RegCheck keeps human expertise and judgement in the loop by (i) ensuring that users are the ones who determine which features should be compared, and (ii) presenting the most relevant text associated with each feature to the user, facilitating (rather than replacing) human discrepancy judgements. RegCheck also generates shareable reports with unique RegCheck IDs, enabling them to be easily shared and verified by other users. RegCheck is designed to be adaptable across scientific domains, as well as registration and publication formats. In this paper we provide an overview of the motivation, workflow, and design principles of RegCheck, and we discuss its potential as an extensible infrastructure for reproducible science with an example use case.

Gestures are an integral part of our daily interactions with the environment. Hand gesture recognition (HGR) is the process of interpreting human intent through various input modalities, such as visual data (images and videos) and bio-signals. Bio-signals are widely used in HGR due to their ability to be captured non-invasively via sensors placed on the arm. Among these, surface electromyography (sEMG), which measures the electrical activity of muscles, is the most extensively studied modality. However, less-explored alternatives such as inertial measurement units (IMUs) can provide complementary information on subtle muscle movements, which makes them valuable for gesture recognition. In this study, we investigate the potential of using IMU signals from different muscle groups to capture user intent. Our results demonstrate that IMU signals contain sufficient information to serve as the sole input sensor for static gesture recognition. Moreover, we compare different muscle groups and check the quality of pattern recognition on individual muscle groups. We further found that tendon-induced micro-movement captured by IMUs is a major contributor to static gesture recognition. We believe that leveraging muscle micro-movement information can enhance the usability of prosthetic arms for amputees. This approach also offers new possibilities for hand gesture recognition in fields such as robotics, teleoperation, sign language interpretation, and beyond.

Human manipulation skills represent a pinnacle of voluntary motor functions, requiring the coordination of many degrees of freedom and the processing of high-dimensional sensor input to achieve remarkable dexterity. Thus, this study investigates whether the human hand, with its associated biomechanical properties, sensors, and control mechanisms, is an ideal that should be strived for in robotics. Do robots need anthropomorphic hands? First, characteristics of the human hand in terms of biomechanics and perception are extracted to compare them with currently commercially available robotic hands. From this comparison, research questions are derived that connect manipulation system complexity to skill repertoire size and dexterity. These questions are addressed through a systematic literature review, analyzing the manipulation capabilities demonstrated in 125 papers published between 2019 and 2025. Although complex five-fingered hands are often considered the ultimate goal for robotic manipulators, they are not necessary for all tasks. Findings indicate that in-hand manipulation does not benefit from anthropomorphic hand design, as simpler mechanisms are sufficient; however, mechanism complexity correlates with the breadth of manipulation tasks a hand can perform. Sensor integration and intelligent manipulation strategies remain underexplored, which may be due to a misalignment with hand design: instead of replicating the number of fingers and degrees of freedom, focusing on robustness and softness would allow more intelligent control and learning to exploit environmental contacts and integrate more sensors. Finally, the article argues for standardized evaluation criteria to enable the systematic comparison of hand designs and manipulation systems.

Molecular optimization, the process of designing molecules with desirable properties, represents a critical challenge in drug discovery. The recent advancements in large language models (LLMs) have opened new opportunities for their integration with traditional molecular optimization algorithms to improve performance. In this work, we propose Molecular Language Model powered Evolutionary Algorithm (Mol-E), an evolutionary algorithm that relies on the generative capabilities of LLMs trained on molecules and molecular properties. Scientific Contribution. Mol-E obtains the highest aggregate Top-10 AUC among the comparable full-23-task results considered here, scoring 17.500 in the task-agnostic regime, in which the oracle is treated strictly as a black box, and 20.551 in the task-informed regime, in which the optimizer receives a fixed semantic description of the objective. Mol-E also improves over the evaluated baselines on multi-property optimization with docking against DRD2, MK2, and AChE.

We study gradient testing and gradient estimation of smooth functions using only a comparison oracle that, given two points, indicates which one has the larger function value. For any smooth $f\colon\mathbb R^n\to\mathbb R$, $\mathbf{x}\in\mathbb R^n$, and $\varepsilon>0$, we design a gradient testing algorithm that determines whether the normalized gradient $\nabla f(\mathbf{x})/\|\nabla f(\mathbf{x})\|$ is $\varepsilon$-close or $2\varepsilon$-far from a given unit vector $\mathbf{v}$ using $O(1)$ queries, as well as a gradient estimation algorithm that outputs an $\varepsilon$-estimate of $\nabla f(\mathbf{x})/\|\nabla f(\mathbf{x})\|$ using $O(n\log(1/\varepsilon))$ queries which we prove to be optimal. Furthermore, we study gradient estimation in the quantum comparison oracle model where queries can be made in superpositions, and develop a quantum algorithm using $O(\log (n/\varepsilon))$ queries.

We propose a likelihood-free method for comparing two distributions given samples from each, with the goal of assessing the quality of generative models. The proposed approach, PQMass, provides a statistically rigorous method for assessing the performance of a single generative model or the comparison of multiple competing models. PQMass divides the sample space into non-overlapping regions and applies chi-squared tests to the number of data samples that fall within each region, giving a p-value that measures the probability that the bin counts derived from two sets of samples are drawn from the same multinomial distribution. PQMass does not depend on assumptions regarding the density of the true distribution, nor does it rely on training or fitting any auxiliary models. We evaluate PQMass on data of various modalities and dimensions, demonstrating its effectiveness in assessing the quality, novelty, and diversity of generated samples. We further show that PQMass scales well to moderately high-dimensional data and thus obviates the need for feature extraction in practical applications.