OpenRaiser/Intern-Atlas huggingface dataset:
AttentionSmithy: A Modular Framework for Rapid Transformer Development and Customization
Venue: arXiv cs.LG 2025
Year: 2025

Transformer architectures have transformed AI applications but remain complex to customize for domain experts lacking low-level implementation expertise. We introduce AttentionSmithy, a modular software package that simplifies transformer innovation by breaking down key components into reusable building blocks: attention modules, feed-forward networks, normalization layers, and positional encodings. Users can rapidly prototype and evaluate transformer variants without extensive coding. Our framework supports four positional encoding strategies and integrates with neural architecture search for automated design. We validate AttentionSmithy by replicating the original transformer under resource constraints and optimizing translation performance by combining positional encodings. Additionally, we demonstrate its adaptability in gene-specific modeling, achieving over 95% accuracy in cell type classification. These case studies highlight AttentionSmithy's potential to accelerate research across diverse fields by removing framework implementation barriers.
Diffusion Models for Molecules: A Survey of Methods and Tasks
Venue: arXiv cs.LG 2025
Year: 2025

Generative tasks about molecules, including but not limited to molecule generation, are crucial for drug discovery and material design, and have consistently attracted significant attention. In recent years, diffusion models have emerged as an impressive class of deep generative models, sparking extensive research and leading to numerous studies on their application to molecular generative tasks. Despite the proliferation of related work, there remains a notable lack of up-to-date and systematic surveys in this area. Particularly, due to the diversity of diffusion model formulations, molecular data modalities, and generative task types, the research landscape is challenging to navigate, hindering understanding and limiting the area's growth. To address this, this paper conducts a comprehensive survey of diffusion model-based molecular generative methods. We systematically review the research from the perspectives of methodological formulations, data modalities, and task types, offering a novel taxonomy. This survey aims to facilitate understanding and further flourishing development in this area. The relevant papers are summarized at: https://github.com/AzureLeon1/awesome-molecular-diffusion-models.
Polymind: Parallel Visual Diagramming with Large Language Models to Support Prewriting Through Microtasks
Venue: arXiv cs.HC 2025
Year: 2025

Prewriting is the process of generating and organising ideas before a first draft. It consists of a combination of informal, iterative, and semi-structured strategies such as visual diagramming, which poses a challenge for collaborating with large language models (LLMs) in a turn-taking conversational manner. We present Polymind, a visual diagramming tool that leverages multiple LLM-powered agents to support prewriting. The system features a parallel collaboration workflow in place of the turn-taking conversational interactions. It defines multiple ``microtasks'' to simulate group collaboration scenarios such as collaborative writing and group brainstorming. Instead of repetitively prompting a chatbot for various purposes, Polymind enables users to orchestrate multiple microtasks simultaneously. Users can configure and delegate customised microtasks, and manage their microtasks by specifying task requirements and toggling visibility and initiative. Our evaluation revealed that, compared to ChatGPT, users had more customizability over collaboration with Polymind, and were thus able to quickly expand personalised writing ideas during prewriting.
Differentially Private Compression and the Sensitivity of LZ77
Venue: arXiv cs.CC 2025
Year: 2025

We initiate the study of differentially private data-compression schemes motivated by the insecurity of the popular "Compress-Then-Encrypt" framework. Data compression is a useful tool which exploits redundancy in data to reduce storage/bandwidth when files are stored or transmitted. However, if the contents of a file are confidential then the length of a compressed file might leak confidential information about the content of the file itself. Encrypting a compressed file does not eliminate this leakage as data encryption schemes are only designed to hide the content of confidential message instead of the length of the message. In our proposed Differentially Private Compress-Then-Encrypt framework, we add a random positive amount of padding to the compressed file to ensure that any leakage satisfies the rigorous privacy guarantee of $(ε,δ)$-differential privacy. The amount of padding that needs to be added depends on the sensitivity of the compression scheme to small changes in the input, i.e., to what degree can changing a single character of the input message impact the length of the compressed file. While some popular compression schemes are highly sensitive to small changes in the input, we argue that effective data compression schemes do not necessarily have high sensitivity. Our primary technical contribution is analyzing the fine-grained sensitivity of the LZ77 compression scheme (IEEE Trans. Inf. Theory 1977) which is one of the most common compression schemes used in practice. We show that the global sensitivity of the LZ77 compression scheme has the upper bound $O(W^{2/3}\log n)$ where $W\leq n$ denotes the size of the sliding window. When $W=n$, we show the lower bound $Ω(n^{2/3}\log^{1/3}n)$ for the global sensitivity of the LZ77 compression scheme which is tight up to a sublogarithmic factor.
Instance Segmentation of Scene Sketches Using Natural Image Priors
Venue: arXiv cs.CV 2025
Year: 2025

Sketch segmentation involves grouping pixels within a sketch that belong to the same object or instance. It serves as a valuable tool for sketch editing tasks, such as moving, scaling, or removing specific components. While image segmentation models have demonstrated remarkable capabilities in recent years, sketches present unique challenges for these models due to their sparse nature and wide variation in styles. We introduce InkLayer, a method for instance segmentation of raster scene sketches. Our approach adapts state-of-the-art image segmentation and object detection models to the sketch domain by employing class-agnostic fine-tuning and refining segmentation masks using depth cues. Furthermore, our method organizes sketches into sorted layers, where occluded instances are inpainted, enabling advanced sketch editing applications. As existing datasets in this domain lack variation in sketch styles, we construct a synthetic scene sketch segmentation dataset, InkScenes, featuring sketches with diverse brush strokes and varying levels of detail. We use this dataset to demonstrate the robustness of our approach.
Score-of-Mixture Training: Training One-Step Generative Models Made Simple via Score Estimation of Mixture Distributions
Venue: arXiv cs.LG 2025
Year: 2025

We propose Score-of-Mixture Training (SMT), a novel framework for training one-step generative models by minimizing a class of divergences called the $α$-skew Jensen--Shannon divergence. At its core, SMT estimates the score of mixture distributions between real and fake samples across multiple noise levels. Similar to consistency models, our approach supports both training from scratch (SMT) and distillation using a pretrained diffusion model, which we call Score-of-Mixture Distillation (SMD). It is simple to implement, requires minimal hyperparameter tuning, and ensures stable training. Experiments on CIFAR-10 and ImageNet 64x64 show that SMT/SMD are competitive with and can even outperform existing methods.
Jailbreaking to Jailbreak
Venue: arXiv cs.CL 2025
Year: 2025

Large Language Models (LLMs) can be used to red team other models (e.g. jailbreaking) to elicit harmful contents. While prior works commonly employ open-weight models or private uncensored models for doing jailbreaking, as the refusal-training of strong LLMs (e.g. OpenAI o3) refuse to help jailbreaking, our work turn (almost) any black-box LLMs into attackers. The resulting $J_2$ (jailbreaking-to-jailbreak) attackers can effectively jailbreak the safeguard of target models using various strategies, both created by themselves or from expert human red teamers. In doing so, we show their strong but under-researched jailbreaking capabilities. Our experiments demonstrate that 1) prompts used to create $J_2$ attackers transfer across almost all black-box models; 2) an $J_2$ attacker can jailbreak a copy of itself, and this vulnerability develops rapidly over the past 12 months; 3) reasong models, such as Sonnet-3.7, are strong $J_2$ attackers compared to others. For example, when used against the safeguard of GPT-4o, $J_2$ (Sonnet-3.7) achieves 0.975 attack success rate (ASR), which matches expert human red teamers and surpasses the state-of-the-art algorithm-based attacks. Among $J_2$ attackers, $J_2$ (o3) achieves highest ASR (0.605) against Sonnet-3.5, one of the most robust models.
Krutrim LLM: Multilingual Foundational Model for over a Billion People
Venue: arXiv cs.CL 2025
Year: 2025

India is a diverse society with unique challenges in developing AI systems, including linguistic diversity, oral traditions, data accessibility, and scalability. Existing foundation models are primarily trained on English, limiting their effectiveness for India's population. Indic languages comprise only 1 percent of Common Crawl corpora despite India representing 18 percent of the global population, leading to linguistic biases. Thousands of regional languages, dialects, and code mixing create additional representation challenges due to sparse training data. We introduce Krutrim LLM, a 2 trillion token multilingual model designed for India's linguistic landscape. It incorporates the largest known Indic dataset, mitigating data scarcity and ensuring balanced performance across dialects. Krutrim outperforms or matches state-of-the-art models on Indic benchmarks while maintaining competitive English performance. Despite being significantly smaller in training flops, Krutrim LLM matches or exceeds models like LLAMA-2 on 10 out of 16 tasks, with an average score of 0.57 versus 0.55. This evidences Krutrim's flexible multilingual fluency across diverse linguistic contexts. Krutrim is integrated with real-time search to improve factual accuracy in conversational AI applications. This enhances accessibility for over 1 billion users worldwide. Through intentional design choices addressing data imbalances, Krutrim LLM signifies meaningful progress in building ethical, globally representative AI models.
Trust at Your Own Peril: A Mixed Methods Exploration of the Ability of Large Language Models to Generate Expert-Like Systems Engineering Artifacts and a Characterization of Failure Modes
Venue: arXiv cs.CL 2025
Year: 2025

Multi-purpose Large Language Models (LLMs), a subset of generative Artificial Intelligence (AI), have recently made significant progress. While expectations for LLMs to assist systems engineering (SE) tasks are paramount; the interdisciplinary and complex nature of systems, along with the need to synthesize deep-domain knowledge and operational context, raise questions regarding the efficacy of LLMs to generate SE artifacts, particularly given that they are trained using data that is broadly available on the internet. To that end, we present results from an empirical exploration, where a human expert-generated SE artifact was taken as a benchmark, parsed, and fed into various LLMs through prompt engineering to generate segments of typical SE artifacts. This procedure was applied without any fine-tuning or calibration to document baseline LLM performance. We then adopted a two-fold mixed-methods approach to compare AI generated artifacts against the benchmark. First, we quantitatively compare the artifacts using natural language processing algorithms and find that when prompted carefully, the state-of-the-art algorithms cannot differentiate AI-generated artifacts from the human-expert benchmark. Second, we conduct a qualitative deep dive to investigate how they differ in terms of quality. We document that while the two-material appear very similar, AI generated artifacts exhibit serious failure modes that could be difficult to detect. We characterize these as: premature requirements definition, unsubstantiated numerical estimates, and propensity to overspecify. We contend that this study tells a cautionary tale about why the SE community must be more cautious adopting AI suggested feedback, at least when generated by multi-purpose LLMs.
AB-UPT: Scaling Neural CFD Surrogates for High-Fidelity Automotive Aerodynamics Simulations via Anchored-Branched Universal Physics Transformers
Venue: arXiv cs.LG 2025
Year: 2025

Recent advances in neural surrogate modeling offer the potential for transformative innovations in applications such as automotive aerodynamics. Yet, industrial-scale problems often involve volumetric meshes with cell counts reaching 100 million, presenting major scalability challenges. Complex geometries further complicate modeling through intricate surface-volume interactions, while quantities such as vorticity are highly nonlinear and must satisfy strict divergence-free constraints. To address these requirements, we introduce AB-UPT as a novel modeling scheme for building neural surrogates for CFD simulations. AB-UPT is designed to: (i) decouple geometry encoding and prediction tasks via multi-branch operators; (ii) enable scalability to high-resolution outputs via neural simulation in a low-dimensional latent space, coupled with anchored neural field decoders to predict high-fidelity outputs; (iii) enforce physics consistency by a divergence-free formulation. We show that AB-UPT yields state-of-the-art predictive accuracy of surface and volume fields on automotive CFD simulations ranging from 33 thousand up to 150 million mesh cells. Furthermore, our anchored neural field architecture enables the enforcement of hard physical constraints on the physics predictions without degradation in performance, exemplified by modeling divergence-free vorticity fields. Notably, the proposed models can be trained on a single GPU in less than a day and predict industry-standard surface and volume fields within seconds. Additionally, we show that the flexible design of our method enables neural simulation from a CAD geometry alone, thereby eliminating the need for costly CFD meshing procedures for inference.
Principles and Policy Recommendations for Comprehensive Genetic Data Governance
Venue: arXiv cs.CY 2025
Year: 2025

Genetic data collection has become ubiquitous, producing genetic information about health, ancestry, and social traits. However, unregulated use, especially amid evolving scientific understanding, poses serious privacy and discrimination risks. These risks are intensified by advancing AI, particularly multi-modal systems integrating genetic, clinical, behavioral, and environmental data. In this work, we organize the uses of genetic data along four distinct "pillars", and develop a risk assessment framework that identifies key values any governance system must preserve. In doing so, we draw on current privacy scholarship concerning contextual integrity, data relationality, and the Belmont principle. We apply the framework to four real-world case studies and identify critical gaps in existing regulatory frameworks and specific threats to privacy and personal liberties, particularly through genetic discrimination. Finally, we offer three policy recommendations for genetic data governance that safeguard individual rights in today's under-regulated ecosystem of large-scale genetic data collection and usage.
Fine-Tuning Foundation Models with Federated Learning for Privacy Preserving Medical Time Series Forecasting
Venue: arXiv cs.LG 2025
Year: 2025

Federated Learning (FL) provides a decentralized machine learning approach, where multiple devices or servers collaboratively train a model without sharing their raw data, thus enabling data privacy. This approach has gained significant interest in academia and industry due to its privacy-preserving properties, which are particularly valuable in the medical domain where data availability is often protected under strict regulations. A relatively unexplored area is the use of FL to fine-tune Foundation Models (FMs) for time series forecasting, potentially enhancing model efficacy by overcoming data limitation while maintaining privacy. In this paper, we fine-tuned time series FMs with Electrocardiogram (ECG) and Impedance Cardiography (ICG) data using different FL techniques. We then examined various scenarios and discussed the challenges FL faces under different data heterogeneity configurations. Our empirical results demonstrated that while FL can be effective for fine-tuning FMs on time series forecasting tasks, its benefits depend on the data distribution across clients. We highlighted the trade-offs in applying FL to FM fine-tuning.
LLM-Generated Microservice Implementations from RESTful API Definitions
Venue: arXiv cs.SE 2025
Year: 2025

The growing need for scalable, maintainable, and fast-deploying systems has made microservice architecture widely popular in software development. This paper presents a system that uses Large Language Models (LLMs) to automate the API-first development of RESTful microservices. This system assists in creating OpenAPI specification, generating server code from it, and refining the code through a feedback loop that analyzes execution logs and error messages. By focusing on the API-first methodology, this system ensures that microservices are designed with well-defined interfaces, promoting consistency and reliability across the development life-cycle. The integration of log analysis enables the LLM to detect and address issues efficiently, reducing the number of iterations required to produce functional and robust services. This process automates the generation of microservices and also simplifies the debugging and refinement phases, allowing developers to focus on higher-level design and integration tasks. This system has the potential to benefit software developers, architects, and organizations to speed up software development cycles and reducing manual effort. To assess the potential of the system, we conducted surveys with six industry practitioners. After surveying practitioners, the system demonstrated notable advantages in enhancing development speed, automating repetitive tasks, and simplifying the prototyping process. While experienced developers appreciated its efficiency for specific tasks, some expressed concerns about its limitations in handling advanced customizations and larger scale projects. The code is publicly available at https://github.com/sirbh/code-gen
Investigating the Role of Situational Disruptors in Engagement with Digital Mental Health Tools
Venue: arXiv cs.HC 2025
Year: 2025

Challenges in engagement with digital mental health (DMH) tools are commonly addressed through technical enhancements and algorithmic interventions. This paper shifts the focus towards the role of users' broader social context as a significant factor in engagement. Through an eight-week text messaging program aimed at enhancing psychological wellbeing, we recruited 20 participants to help us identify situational engagement disruptors (SEDs), including personal responsibilities, professional obligations, and unexpected health issues. In follow-up design workshops with 25 participants, we explored potential solutions that address such SEDs: prioritizing self-care through structured goal-setting, alternative framings for disengagement, and utilization of external resources. Our findings challenge conventional perspectives on engagement and offer actionable design implications for future DMH tools.
TableTalk: Scaffolding Spreadsheet Development with a Language Agent
Venue: arXiv cs.SE 2025
Year: 2025

Spreadsheet programming is challenging. Programmers use spreadsheet programming knowledge (e.g., formulas) and problem-solving skills to combine actions into complex tasks. Advancements in large language models have introduced language agents that observe, plan, and perform tasks, showing promise for spreadsheet creation. We present TableTalk, a spreadsheet programming agent embodying three design principles -- scaffolding, flexibility, and incrementality -- derived from studies with seven spreadsheet programmers and 85 Excel templates. TableTalk guides programmers through structured plans based on professional workflows, generating three potential next steps to adapt plans to programmer needs. It uses pre-defined tools to generate spreadsheet components and incrementally build spreadsheets. In a study with 20 programmers, TableTalk produced higher-quality spreadsheets 2.3 times more likely to be preferred than the baseline. It reduced cognitive load and thinking time by 12.6%. From this, we derive design guidelines for agentic spreadsheet programming tools and discuss implications on spreadsheet programming, end-user programming, AI-assisted programming, and human-agent collaboration.
A Solver-Aided Hierarchical Language for LLM-Driven CAD Design
Venue: arXiv cs.CV 2025
Year: 2025

Large language models (LLMs) have been enormously successful in solving a wide variety of structured and unstructured generative tasks, but they struggle to generate procedural geometry in Computer Aided Design (CAD). These difficulties arise from an inability to do spatial reasoning and the necessity to guide a model through complex, long range planning to generate complex geometry. We enable generative CAD Design with LLMs through the introduction of a solver-aided, hierarchical domain specific language (DSL) called AIDL, which offloads the spatial reasoning requirements to a geometric constraint solver. Additionally, we show that in the few-shot regime, AIDL outperforms even a language with in-training data (OpenSCAD), both in terms of generating visual results closer to the prompt and creating objects that are easier to post-process and reason about.
A Scoresheet for Explainable AI
Venue: arXiv cs.AI 2025
Year: 2025

Explainability is important for the transparency of autonomous and intelligent systems and for helping to support the development of appropriate levels of trust. There has been considerable work on developing approaches for explaining systems and there are standards that specify requirements for transparency. However, there is a gap: the standards are too high-level and do not adequately specify requirements for explainability. This paper develops a scoresheet that can be used to specify explainability requirements or to assess the explainability aspects provided for particular applications. The scoresheet is developed by considering the requirements of a range of stakeholders and is applicable to Multiagent Systems as well as other AI technologies. We also provide guidance for how to use the scoresheet and illustrate its generality and usefulness by applying it to a range of applications.