OpenRaiser/Intern-Atlas huggingface dataset:
FARM: Functional Group-Aware Representations for Small Molecules
Venue: arXiv cs.LG 2025
Year: 2025

We introduce Functional Group-Aware Representations for Small Molecules (FARM), a novel foundation model designed to bridge the gap between SMILES, natural language, and molecular graphs. The key innovation of FARM lies in its functional group-aware tokenization, which directly incorporates functional group information into SMILES, enriching SMILES with detailed chemical context. For example, instead of using "O" to represent all oxygen atoms, we use specific tokens like "O_ketone" and "O_hydroxyl" to differentiate oxygen atoms belonging to distinct functional groups. This tokenization expands the chemical lexicon, effectively bridging the gap between SMILES and natural language in terms of vocabulary size, ultimately enhancing the model's ability to predict molecular properties. FARM also represents molecules from two perspectives: by (1) using masked language modeling to capture atom-level features and (2) employing graph neural networks to encode the whole molecule topology. FARM leverages contrastive learning to aligns these two views of representations into a unified molecular embedding. We rigorously evaluate FARM on the MoleculeNet dataset, where it achieves state-of-the-art performance on 11 out of 13 tasks. These results highlight FARM's potential to improve molecular representation learning and demonstrate its strong transfer learning capabilities, paving the way for promising applications in drug discovery and pharmaceutical research.
Spiking Neural Network as Adaptive Event Stream Slicer
Venue: arXiv cs.CV 2025
Year: 2025

Event-based cameras are attracting significant interest as they provide rich edge information, high dynamic range, and high temporal resolution. Many state-of-the-art event-based algorithms rely on splitting the events into fixed groups, resulting in the omission of crucial temporal information, particularly when dealing with diverse motion scenarios (\eg, high/low speed).In this work, we propose SpikeSlicer, a novel-designed plug-and-play event processing method capable of splitting events stream adaptively.SpikeSlicer utilizes a low-energy spiking neural network (SNN) to trigger event slicing. To guide the SNN to fire spikes at optimal time steps, we propose the Spiking Position-aware Loss (SPA-Loss) to modulate the neuron's state. Additionally, we develop a Feedback-Update training strategy that refines the slicing decisions using feedback from the downstream artificial neural network (ANN). Extensive experiments demonstrate that our method yields significant performance improvements in event-based object tracking and recognition. Notably, SpikeSlicer provides a brand-new SNN-ANN cooperation paradigm, where the SNN acts as an efficient, low-energy data processor to assist the ANN in improving downstream performance, injecting new perspectives and potential avenues of exploration. Our code is available at https://github.com/AndyCao1125/SpikeSlicer.
Revisiting the Canonicalization for Fast and Accurate Crystal Tensor Property Prediction
Venue: arXiv cs.CE 2025
Year: 2025

Predicting the tensor properties of crystalline materials is a fundamental task in materials science. Unlike scalar property prediction, which requires invariance, tensor property prediction requires maintaining O(3) group tensor equivariance. Achieving such equivariance typically demands specialized architectural designs, which substantially increase computational cost. Canonicalization, a classical technique for geometry, has recently been explored for efficient learning with symmetry.In this work, we revisit the problem of crystal tensor property prediction through the lens of canonicalization. Specifically, we demonstrate how polar decomposition, a simple yet efficient algebraic method, can serve as a form of canonicalization and be leveraged to ensure equivariant tensor property prediction. Building upon this insight, we propose a general O(3)-equivariant framework for fast and accurate crystal tensor property prediction, referred to as GoeCTP. By utilizing canonicalization, GoeCTP achieves high efficiency without requiring the explicit incorporation of equivariance constraints into the network architecture.Experimental results indicate that GoeCTP achieves the high prediction accuracy and runs up to 13 times faster compared to existing state-of-the-art methods, underscoring its effectiveness and efficiency.
It is Giving Major Satisfaction: Why Fairness Matters for Software Practitioners
Venue: arXiv cs.SE 2025
Year: 2025

Software practitioners often encounter workplace unfairness, such as unequal recognition and gender bias. While the link between fairness and job satisfaction has been established in other fields, its relevance to software professionals remains underexplored. This study examines how fairness perceptions relate to job satisfaction among software practitioners, focusing on both general trends and demographic-specific differences. We conducted an online survey of 108 software practitioners, followed by ordinal logistic regression to analyze the relationship between fairness perceptions and job satisfaction in software engineering contexts, with moderation analysis examining how this relationship varies across demographic groups. Our findings indicate that all four fairness dimensions (namely distributive, procedural, interpersonal, and informational fairness) significantly affect overall job satisfaction and satisfaction with job security. Among these, interpersonal fairness has the biggest impact. The relationship between fairness and job satisfaction is stronger for female, ethnically underrepresented, less experienced practitioners, and those with work limitations. Fairness in authorship emerged as an important factor for job satisfaction collectively, while fairness in policy implementation, high-demand situations, and working hours impacted specific demographic groups. This study highlights the role of fairness among software practitioners, offering strategies for organizations to promote fair practices and targeted approaches for certain demographic groups.
Research Directions and Modeling Guidelines for Industrial Internet of Things Applications
Venue: arXiv cs.NI 2025
Year: 2025

The Industrial Internet of Things (IIoT) paradigm has emerged as a transformative force, revolutionizing industrial processes by integrating advanced wireless technologies into traditional procedures to enhance their efficiency. The importance of this paradigm shift has produced a massive, yet heterogeneous, proliferation of scientific contributions. However, these works lack a standardized and cohesive characterization of the IIoT framework coming from different entities, like the 3rd Generation Partnership Project (3GPP) or the 5G Alliance for Connected Industries and Automation (5G-ACIA), resulting in divergent perspectives and potentially hindering interoperability. To bridge this gap, this article offers a unified characterization of (i) the main IIoT application domains, (ii) their respective requirements, (iii) the principal technological gaps existing in the current literature, and, most importantly, (iv) we propose a systematic approach for assessing and addressing the identified research challenges. Therefore, this article serves as a roadmap for future research endeavors, promoting a unified vision of the IIoT paradigm and fostering collaborative efforts to advance the field.
LLaVA-Video: Video Instruction Tuning With Synthetic Data
Venue: arXiv cs.CV 2025
Year: 2025

The development of video large multimodal models (LMMs) has been hindered by the difficulty of curating large amounts of high-quality raw data from the web. To address this, we propose an alternative approach by creating a high-quality synthetic dataset specifically for video instruction-following, namely LLaVA-Video-178K. This dataset includes key tasks such as detailed captioning, open-ended question-answering (QA), and multiple-choice QA. By training on this dataset, in combination with existing visual instruction tuning data, we introduce LLaVA-Video, a new video LMM. Our experiments demonstrate that LLaVA-Video achieves strong performance across various video benchmarks, highlighting the effectiveness of our dataset. We plan to release the dataset, its generation pipeline, and the model checkpoints.
On Logical Extrapolation for Mazes with Recurrent and Implicit Networks
Venue: arXiv cs.LG 2025
Year: 2025

Recent work suggests that certain neural network architectures -- particularly recurrent neural networks (RNNs) and implicit neural networks (INNs) -- are capable of logical extrapolation. When trained on easy instances of a task, these networks (henceforth: logical extrapolators) can generalize to more difficult instances. Previous research has hypothesized that logical extrapolators do so by learning a scalable, iterative algorithm for the given task which converges to the solution. We examine this idea more closely in the context of a single task: maze solving. By varying test data along multiple axes -- not just maze size -- we show that models introduced in prior work fail in a variety of ways, some expected and others less so. It remains uncertain whether any of these models has truly learned an algorithm. However, we provide evidence that a certain RNN has approximately learned a form of `deadend-filling'. We show that training these models on more diverse data addresses some failure modes but, paradoxically, does not improve logical extrapolation. We also analyze convergence behavior, and show that models explicitly trained to converge to a fixed point are likely to do so when extrapolating, while models that are not may exhibit more exotic limiting behavior such as limit cycles, even when they correctly solve the problem. Our results (i) show that logical extrapolation is not immune to the problem of goal misgeneralization, and (ii) suggest that analyzing the dynamics of extrapolation may yield insights into designing better logical extrapolators.
Generalizable Prompt Tuning for Vision-Language Models
Venue: arXiv cs.CV 2025
Year: 2025

Prompt tuning for vision-language models such as CLIP involves optimizing the text prompts used to generate image-text pairs for specific downstream tasks. While hand-crafted or template-based prompts are generally applicable to a wider range of unseen classes, they tend to perform poorly in downstream tasks (i.e., seen classes). Learnable soft prompts, on the other hand, often perform well in downstream tasks but lack generalizability. Additionally, prior research has predominantly concentrated on the textual modality, with very few studies attempting to explore the prompt's generalization potential from the visual modality. Keeping these limitations in mind, we investigate how to prompt tuning to obtain both a competitive downstream performance and generalization. The study shows that by treating soft and hand-crafted prompts as dual views of the textual modality, and maximizing their mutual information, we can better ensemble task-specific and general semantic information. Moreover, to generate more expressive prompts, the study introduces a class-wise augmentation from the visual modality, resulting in significant robustness to a wider range of unseen classes. Extensive evaluations on several benchmarks report that the proposed approach achieves competitive results in terms of both task-specific performance and general abilities.
The Potential of Citizen Platforms for Requirements Engineering of Large Socio-Technical Software Systems
Venue: arXiv cs.SE 2025
Year: 2025

Participatory citizen platforms are innovative solutions to digitally better engage citizens in policy-making and deliberative democracy in general. Although these platforms have been used also in an engineering context, thus far, there is no existing work for connecting the platforms to requirements engineering. The present paper fills this notable gap. In addition to discussing the platforms in conjunction with requirements engineering, the paper elaborates potential advantages and disadvantages, thus paving the way for a future pilot study in a software engineering context. With these engineering tenets, the paper also contributes to the research of large socio-technical software systems in a public sector context, including their implementation and governance.
A Versatile Neural Network Configuration Space Planning and Control Strategy for Modular Soft Robot Arms
Venue: arXiv cs.RO 2025
Year: 2025

Modular soft robot arms (MSRAs) are composed of multiple modules connected in a sequence, and they can bend at different angles in various directions. This capability allows MSRAs to perform more intricate tasks than single-module robots. However, the modular structure also induces challenges in accurate planning and control. Nonlinearity and hysteresis complicate the physical model, while the modular structure and increased DOFs further lead to cumulative errors along the sequence. To address these challenges, we propose a versatile configuration space planning and control strategy for MSRAs, named S2C2A (State to Configuration to Action). Our approach formulates an optimization problem, S2C (State to Configuration planning), which integrates various loss functions and a forward model based on biLSTM to generate configuration trajectories based on target states. A configuration controller C2A (Configuration to Action control) based on biLSTM is implemented to follow the planned configuration trajectories, leveraging only inaccurate internal sensing feedback. We validate our strategy using a cable-driven MSRA, demonstrating its ability to perform diverse offline tasks such as position and orientation control and obstacle avoidance. Furthermore, our strategy endows MSRA with online interaction capability with targets and obstacles. Future work focuses on addressing MSRA challenges, such as more accurate physical models.
Applying the FAIR Principles to computational workflows
Venue: arXiv cs.DL 2025
Year: 2025

Recent trends within computational and data sciences show an increasing recognition and adoption of computational workflows as tools for productivity and reproducibility that also democratize access to platforms and processing know-how. As digital objects to be shared, discovered, and reused, computational workflows benefit from the FAIR principles, which stand for Findable, Accessible, Interoperable, and Reusable. The Workflows Community Initiative's FAIR Workflows Working Group (WCI-FW), a global and open community of researchers and developers working with computational workflows across disciplines and domains, has systematically addressed the application of both FAIR data and software principles to computational workflows. We present recommendations with commentary that reflects our discussions and justifies our choices and adaptations. These are offered to workflow users and authors, workflow management system developers, and providers of workflow services as guidelines for adoption and fodder for discussion. The FAIR recommendations for workflows that we propose in this paper will maximize their value as research assets and facilitate their adoption by the wider community.
Towards Reproducible LLM Evaluation: Quantifying Uncertainty in LLM Benchmark Scores
Venue: arXiv cs.CL 2025
Year: 2025

Large language models (LLMs) are stochastic, and not all models give deterministic answers, even when setting temperature to zero with a fixed random seed. However, few benchmark studies attempt to quantify uncertainty, partly due to the time and cost of repeated experiments. We use benchmarks designed for testing LLMs' capacity to reason about cardinal directions to explore the impact of experimental repeats on mean score and prediction interval. We suggest a simple method for cost-effectively quantifying the uncertainty of a benchmark score and make recommendations concerning reproducible LLM evaluation.
Building a Chinese Medical Dialogue System: Integrating Large-scale Corpora and Novel Models
Venue: arXiv cs.CL 2025
Year: 2025

The global COVID-19 pandemic underscored major deficiencies in traditional healthcare systems, hastening the advancement of online medical services, especially in medical triage and consultation. However, existing studies face two main challenges. First, the scarcity of large-scale, publicly available, domain-specific medical datasets due to privacy concerns, with current datasets being small and limited to a few diseases, limiting the effectiveness of triage methods based on Pre-trained Language Models (PLMs). Second, existing methods lack medical knowledge and struggle to accurately understand professional terms and expressions in patient-doctor consultations. To overcome these obstacles, we construct the Large-scale Chinese Medical Dialogue Corpora (LCMDC), thereby addressing the data shortage in this field. Moreover, we further propose a novel triage system that combines BERT-based supervised learning with prompt learning, as well as a GPT-based medical consultation model. To enhance domain knowledge acquisition, we pre-trained PLMs using our self-constructed background corpus. Experimental results on the LCMDC demonstrate the efficacy of our proposed systems.
The Smart Buildings Control Suite: A Diverse Open Source Benchmark to Evaluate and Scale HVAC Control Policies for Sustainability
Venue: arXiv cs.AI 2025
Year: 2025

Commercial buildings account for 17% of U.S. carbon emissions, with roughly half of that from Heating, Ventilation, and Air Conditioning (HVAC). HVAC devices form a complex thermodynamic system, and while Model Predictive Control and Reinforcement Learning have been used to optimize control policies, scaling to thousands of buildings remains a significant unsolved challenge. Most current algorithms are over-optimized for specific buildings and rely on proprietary data or hard-to-configure simulations. We present the Smart Buildings Control Suite, the first open source interactive HVAC control benchmark with a focus on solutions that scale. It consists of 3 components: real-world telemetric data extracted from 11 buildings over 6 years, a lightweight data-driven simulator for each building, and a modular Physically Informed Neural Network (PINN) building model as a simulator alternative. The buildings span a variety of climates, management systems, and sizes, and both the simulator and PINN easily scale to new buildings, ensuring solutions using this benchmark are robust to these factors and only reliant on fully scalable building models. This represents a major step towards scaling HVAC optimization from the lab to buildings everywhere. To facilitate use, our benchmark is compatible with the Gym standard, and our data is part of TensorFlow Datasets.
Hidden in Plain Text: Emergence & Mitigation of Steganographic Collusion in LLMs
Venue: arXiv cs.CL 2025
Year: 2025

The rapid proliferation of frontier model agents promises significant societal advances but also raises concerns about systemic risks arising from unsafe interactions. Collusion to the disadvantage of others has been identified as a central form of undesirable agent cooperation. The use of information hiding (steganography) in agent communications could render such collusion practically undetectable. This underscores the need for investigations into the possibility of such behaviours emerging and the robustness corresponding countermeasures. To investigate this problem we design two approaches -- a gradient-based reinforcement learning (GBRL) method and an in-context reinforcement learning (ICRL) method -- for reliably eliciting sophisticated LLM-generated linguistic text steganography. We demonstrate, for the first time, that unintended steganographic collusion in LLMs can arise due to mispecified reward incentives during training. Additionally, we find that standard mitigations -- both passive oversight of model outputs and active mitigation through communication paraphrasing -- are not fully effective at preventing this steganographic communication. Our findings imply that (i) emergence of steganographic collusion is a plausible concern that should be monitored and researched, and (ii) preventing emergence may require innovation in mitigation techniques.
Solving Dual Sourcing Problems with Supply Mode Dependent Failure Rates
Venue: arXiv cs.LG 2025
Year: 2025

This paper investigates dual sourcing problems with supply mode dependent failure rates, particularly relevant in managing spare parts for downtime-critical assets. To enhance resilience, businesses increasingly adopt dual sourcing strategies using both conventional and additive manufacturing techniques. This paper explores how these strategies can optimise sourcing by addressing variations in part properties and failure rates. A significant challenge is the distinct failure characteristics of parts produced by these methods, which influence future demand. To tackle this, we propose a new iterative heuristic and several reinforcement learning techniques combined with an endogenous parameterised learning (EPL) approach. This EPL approach - compatible with any learning method - allows a single policy to handle various input parameters for multiple items. In a stylised setting, our best policy achieves an average optimality gap of 0.4%. In a case study within the energy sector, our policies outperform the baseline in 91.1% of instances, yielding average cost savings up to 22.6%.
A Survey on LLM-based Code Generation for Low-Resource and Domain-Specific Programming Languages
Venue: arXiv cs.SE 2025
Year: 2025

Large Language Models (LLMs) have shown impressive capabilities in code generation for popular programming languages. However, their performance on Low-Resource Programming Languages (LRPLs) and Domain-Specific Languages (DSLs) remains a significant challenge, affecting millions of developers-3.5 million users in Rust alone-who cannot fully utilize LLM capabilities. LRPLs and DSLs encounter unique obstacles, including data scarcity and, for DSLs, specialized syntax that is poorly represented in general-purpose datasets. Addressing these challenges is crucial, as LRPLs and DSLs enhance development efficiency in specialized domains, such as finance and science. While several surveys discuss LLMs in software engineering, none focus specifically on the challenges and opportunities associated with LRPLs and DSLs. Our survey fills this gap by systematically reviewing the current state, methodologies, and challenges in leveraging LLMs for code generation in these languages. We filtered 111 papers from over 27,000 published studies between 2020 and 2024 to evaluate the capabilities and limitations of LLMs in LRPLs and DSLs. We report the LLMs used, benchmarks, and metrics for evaluation, strategies for enhancing performance, and methods for dataset collection and curation. We identified four main evaluation techniques and several metrics for assessing code generation in LRPLs and DSLs. Our analysis categorizes improvement methods into six groups and summarizes novel architectures proposed by researchers. Despite various techniques and metrics, a standard approach and benchmark dataset for evaluating code generation in LRPLs and DSLs are lacking. This survey serves as a resource for researchers and practitioners at the intersection of LLMs, software engineering, and specialized programming languages, laying the groundwork for future advancements in code generation for LRPLs and DSLs.
JAM: A Comprehensive Model for Age Estimation, Verification, and Comparability
Venue: arXiv cs.CV 2025
Year: 2025

This paper introduces a comprehensive model for age estimation, verification, and comparability, offering a comprehensive solution for a wide range of applications. It employs advanced learning techniques to understand age distribution and uses confidence scores to create probabilistic age ranges, enhancing its ability to handle ambiguous cases. The model has been tested on both proprietary and public datasets and compared against one of the top-performing models in the field. Additionally, it has recently been evaluated by NIST as part of the FATE challenge, achieving top places in many categories.