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Apr 1

MCP Security Bench (MSB): Benchmarking Attacks Against Model Context Protocol in LLM Agents

The Model Context Protocol (MCP) standardizes how large language model (LLM) agents discover, describe, and call external tools. While MCP unlocks broad interoperability, it also enlarges the attack surface by making tools first-class, composable objects with natural-language metadata, and standardized I/O. We present MSB (MCP Security Benchmark), the first end-to-end evaluation suite that systematically measures how well LLM agents resist MCP-specific attacks throughout the full tool-use pipeline: task planning, tool invocation, and response handling. MSB contributes: (1) a taxonomy of 12 attacks including name-collision, preference manipulation, prompt injections embedded in tool descriptions, out-of-scope parameter requests, user-impersonating responses, false-error escalation, tool-transfer, retrieval injection, and mixed attacks; (2) an evaluation harness that executes attacks by running real tools (both benign and malicious) via MCP rather than simulation; and (3) a robustness metric that quantifies the trade-off between security and performance: Net Resilient Performance (NRP). We evaluate nine popular LLM agents across 10 domains and 405 tools, producing 2,000 attack instances. Results reveal the effectiveness of attacks against each stage of MCP. Models with stronger performance are more vulnerable to attacks due to their outstanding tool calling and instruction following capabilities. MSB provides a practical baseline for researchers and practitioners to study, compare, and harden MCP agents. Code: https://github.com/dongsenzhang/MSB

  • 6 authors
·
Oct 14, 2025

Pre-trained Text-to-Image Diffusion Models Are Versatile Representation Learners for Control

Embodied AI agents require a fine-grained understanding of the physical world mediated through visual and language inputs. Such capabilities are difficult to learn solely from task-specific data. This has led to the emergence of pre-trained vision-language models as a tool for transferring representations learned from internet-scale data to downstream tasks and new domains. However, commonly used contrastively trained representations such as in CLIP have been shown to fail at enabling embodied agents to gain a sufficiently fine-grained scene understanding -- a capability vital for control. To address this shortcoming, we consider representations from pre-trained text-to-image diffusion models, which are explicitly optimized to generate images from text prompts and as such, contain text-conditioned representations that reflect highly fine-grained visuo-spatial information. Using pre-trained text-to-image diffusion models, we construct Stable Control Representations which allow learning downstream control policies that generalize to complex, open-ended environments. We show that policies learned using Stable Control Representations are competitive with state-of-the-art representation learning approaches across a broad range of simulated control settings, encompassing challenging manipulation and navigation tasks. Most notably, we show that Stable Control Representations enable learning policies that exhibit state-of-the-art performance on OVMM, a difficult open-vocabulary navigation benchmark.

  • 7 authors
·
May 9, 2024

ASTRA: Automated Synthesis of agentic Trajectories and Reinforcement Arenas

Large language models (LLMs) are increasingly used as tool-augmented agents for multi-step decision making, yet training robust tool-using agents remains challenging. Existing methods still require manual intervention, depend on non-verifiable simulated environments, rely exclusively on either supervised fine-tuning (SFT) or reinforcement learning (RL), and struggle with stable long-horizon, multi-turn learning. To address these challenges, we introduce ASTRA, a fully automated end-to-end framework for training tool-augmented language model agents via scalable data synthesis and verifiable reinforcement learning. ASTRA integrates two complementary components. First, a pipeline that leverages the static topology of tool-call graphs synthesizes diverse, structurally grounded trajectories, instilling broad and transferable tool-use competence. Second, an environment synthesis framework that captures the rich, compositional topology of human semantic reasoning converts decomposed question-answer traces into independent, code-executable, and rule-verifiable environments, enabling deterministic multi-turn RL. Based on this method, we develop a unified training methodology that integrates SFT with online RL using trajectory-level rewards to balance task completion and interaction efficiency. Experiments on multiple agentic tool-use benchmarks demonstrate that ASTRA-trained models achieve state-of-the-art performance at comparable scales, approaching closed-source systems while preserving core reasoning ability. We release the full pipelines, environments, and trained models at https://github.com/LianjiaTech/astra.

  • 15 authors
·
Jan 29 4

CNN based Cuneiform Sign Detection Learned from Annotated 3D Renderings and Mapped Photographs with Illumination Augmentation

Motivated by the challenges of the Digital Ancient Near Eastern Studies (DANES) community, we develop digital tools for processing cuneiform script being a 3D script imprinted into clay tablets used for more than three millennia and at least eight major languages. It consists of thousands of characters that have changed over time and space. Photographs are the most common representations usable for machine learning, while ink drawings are prone to interpretation. Best suited 3D datasets that are becoming available. We created and used the HeiCuBeDa and MaiCuBeDa datasets, which consist of around 500 annotated tablets. For our novel OCR-like approach to mixed image data, we provide an additional mapping tool for transferring annotations between 3D renderings and photographs. Our sign localization uses a RepPoints detector to predict the locations of characters as bounding boxes. We use image data from GigaMesh's MSII (curvature, see https://gigamesh.eu) based rendering, Phong-shaded 3D models, and photographs as well as illumination augmentation. The results show that using rendered 3D images for sign detection performs better than other work on photographs. In addition, our approach gives reasonably good results for photographs only, while it is best used for mixed datasets. More importantly, the Phong renderings, and especially the MSII renderings, improve the results on photographs, which is the largest dataset on a global scale.

  • 3 authors
·
Aug 22, 2023

Coresets from Trajectories: Selecting Data via Correlation of Loss Differences

Deep learning models achieve state-of-the-art performance across domains but face scalability challenges in real-time or resource-constrained scenarios. To address this, we propose Correlation of Loss Differences (CLD), a simple and scalable metric for coreset selection that identifies the most impactful training samples by measuring their alignment with the loss trajectories of a held-out validation set. CLD is highly efficient, requiring only per-sample loss values computed at training checkpoints, and avoiding the costly gradient and curvature computations used in many existing subset selection methods. We develop a general theoretical framework that establishes convergence guarantees for CLD-based coresets, demonstrating that the convergence error is upper-bounded by the alignment of the selected samples and the representativeness of the validation set. On CIFAR-100 and ImageNet-1k, CLD-based coresets typically outperform or closely match state-of-the-art methods across subset sizes, and remain within 1% of more computationally expensive baselines even when not leading. CLD transfers effectively across architectures (ResNet, VGG, DenseNet), enabling proxy-to-target selection with <1% degradation. Moreover, CLD is stable when using only early checkpoints, incurring negligible accuracy loss. Finally, CLD exhibits inherent bias reduction via per-class validation alignment, obviating the need for additional stratified sampling. Together, these properties make CLD a principled, efficient, stable, and transferable tool for scalable dataset optimization.

  • 3 authors
·
Aug 27, 2025

Can Tool-Integrated Reinforcement Learning Generalize Across Diverse Domains?

Recent advances in large language models (LLMs) have demonstrated remarkable capabilities in reasoning and tool utilization. However, the generalization of tool-augmented reinforcement learning (RL) across diverse domains remains underexplored. In this work, we investigate the cross-domain generalization of an LLM agent equipped with a code interpreter tool, which is exclusively trained on mathematical problem-solving tasks. Despite the restricted training domain, we evaluate the agent's performance across several distinct reasoning domains. The results reveal that RL-based tool usage learned from mathematical tasks can be effectively transferred to complex tasks in other domains, enabling great task performance and high token efficiency. To facilitate this cross-domain transfer, we propose a Tool Generalization Reinforcement Learning (TGRL) framework designed to promote domain-agnostic learning and skill migration, encompassing: (i) a standardized tool interface that abstracts domain-specific nuances through consistent formatting and explicit termination, fostering transferable invocation patterns; (ii) a dual-component reward system that decomposes rewards to incentivize generalizable behaviors like tool efficiency and reasoning abstraction, ensuring alignment and robustness across domain shifts; and (iii) an XML-based prompt template that separates thinking, tool calls, and responses to encourage modular, domain-invariant planning and coherent multi-turn interactions. Extensive experiments across diverse benchmarks validate our approach, achieving state-of-the-art performance and highlighting the cross-domain potential of Tool RL for LLM reasoning.

  • 9 authors
·
Oct 13, 2025

Towards Understanding and Harnessing the Transferability of Prognostic Knowledge in Computational Pathology

Whole-Slide Image (WSI) is an important tool for evaluating the prognosis of cancer patients. Present WSI-based prognosis studies generally follow a conventional paradigm -- cancer-specific model development -- where one cancer disease corresponds to one model and this model cannot make use of the prognostic knowledge from others. Despite its notable success in recent years, this paradigm has inherent limitations and has always been struggling with practical requirements: (i) scaling to the rare tumor diseases with very limited samples and (ii) benefiting from the generalizable prognostic knowledge in other cancers. To this end, this paper presents the first systematic study on Prognostic Knowledge Transfer in Pathology, called Path-PKT. It comprises three main parts. (1) We curate a large dataset (UNI2-h-DSS) with 13 cancers and use it to evaluate the transferability of prognostic knowledge between different cancers computationally. (2) We design experiments to understand what factors affect knowledge transfer and what causes positive transfers. (3) Motivated by empirical findings, we propose a new baseline approach (MoE-PKT) with a routing mechanism to utilize the generalizable prognostic knowledge in other cancers. Finally, we show the transferability of source models to rare tumor diseases. This study could lay solid foundations for the study of knowledge transfer in WSI-based cancer prognosis. Source code is available at https://github.com/liupei101/Path-PKT.

  • 4 authors
·
Aug 18, 2025

TASAR: Transfer-based Attack on Skeletal Action Recognition

Skeletal sequence data, as a widely employed representation of human actions, are crucial in Human Activity Recognition (HAR). Recently, adversarial attacks have been proposed in this area, which exposes potential security concerns, and more importantly provides a good tool for model robustness test. Within this research, transfer-based attack is an important tool as it mimics the real-world scenario where an attacker has no knowledge of the target model, but is under-explored in Skeleton-based HAR (S-HAR). Consequently, existing S-HAR attacks exhibit weak adversarial transferability and the reason remains largely unknown. In this paper, we investigate this phenomenon via the characterization of the loss function. We find that one prominent indicator of poor transferability is the low smoothness of the loss function. Led by this observation, we improve the transferability by properly smoothening the loss when computing the adversarial examples. This leads to the first Transfer-based Attack on Skeletal Action Recognition, TASAR. TASAR explores the smoothened model posterior of pre-trained surrogates, which is achieved by a new post-train Dual Bayesian optimization strategy. Furthermore, unlike existing transfer-based methods which overlook the temporal coherence within sequences, TASAR incorporates motion dynamics into the Bayesian attack, effectively disrupting the spatial-temporal coherence of S-HARs. For exhaustive evaluation, we build the first large-scale robust S-HAR benchmark, comprising 7 S-HAR models, 10 attack methods, 3 S-HAR datasets and 2 defense models. Extensive results demonstrate the superiority of TASAR. Our benchmark enables easy comparisons for future studies, with the code available in the https://github.com/yunfengdiao/Skeleton-Robustness-Benchmark.

  • 8 authors
·
Sep 4, 2024

Protein Language Model Embeddings Improve Generalization of Implicit Transfer Operators

Molecular dynamics (MD) is a central computational tool in physics, chemistry, and biology, enabling quantitative prediction of experimental observables as expectations over high-dimensional molecular distributions such as Boltzmann distributions and transition densities. However, conventional MD is fundamentally limited by the high computational cost required to generate independent samples. Generative molecular dynamics (GenMD) has recently emerged as an alternative, learning surrogates of molecular distributions either from data or through interaction with energy models. While these methods enable efficient sampling, their transferability across molecular systems is often limited. In this work, we show that incorporating auxiliary sources of information can improve the data efficiency and generalization of transferable implicit transfer operators (TITO) for molecular dynamics. We find that coarse-grained TITO models are substantially more data-efficient than Boltzmann Emulators, and that incorporating protein language model (pLM) embeddings further improves out-of-distribution generalization. Our approach, PLaTITO, achieves state-of-the-art performance on equilibrium sampling benchmarks for out-of-distribution protein systems, including fast-folding proteins. We further study the impact of additional conditioning signals -- such as structural embeddings, temperature, and large-language-model-derived embeddings -- on model performance.

  • 4 authors
·
Feb 11

Motion Transfer-Enhanced StyleGAN for Generating Diverse Macaque Facial Expressions

Generating animal faces using generative AI techniques is challenging because the available training images are limited both in quantity and variation, particularly for facial expressions across individuals. In this study, we focus on macaque monkeys, widely studied in systems neuroscience and evolutionary research, and propose a method to generate their facial expressions using a style-based generative image model (i.e., StyleGAN2). To address data limitations, we implemented: 1) data augmentation by synthesizing new facial expression images using a motion transfer to animate still images with computer graphics, 2) sample selection based on the latent representation of macaque faces from an initially trained StyleGAN2 model to ensure the variation and uniform sampling in training dataset, and 3) loss function refinement to ensure the accurate reproduction of subtle movements, such as eye movements. Our results demonstrate that the proposed method enables the generation of diverse facial expressions for multiple macaque individuals, outperforming models trained solely on original still images. Additionally, we show that our model is effective for style-based image editing, where specific style parameters correspond to distinct facial movements. These findings underscore the model's potential for disentangling motion components as style parameters, providing a valuable tool for research on macaque facial expressions.

  • 5 authors
·
Nov 20, 2025

Adaptive Multiscale Retinal Diagnosis: A Hybrid Trio-Model Approach for Comprehensive Fundus Multi-Disease Detection Leveraging Transfer Learning and Siamese Networks

WHO has declared that more than 2.2 billion people worldwide are suffering from visual disorders, such as media haze, glaucoma, and drusen. At least 1 billion of these cases could have been either prevented or successfully treated, yet they remain unaddressed due to poverty, a lack of specialists, inaccurate ocular fundus diagnoses by ophthalmologists, or the presence of a rare disease. To address this, the research has developed the Hybrid Trio-Network Model Algorithm for accurately diagnosing 12 distinct common and rare eye diseases. This algorithm utilized the RFMiD dataset of 3,200 fundus images and the Binary Relevance Method to detect diseases separately, ensuring expandability and avoiding incorrect correlations. Each detector, incorporating finely tuned hyperparameters to optimize performance, consisted of three feature components: A classical transfer learning CNN model, a two-stage CNN model, and a Siamese Network. The diagnosis was made using features extracted through this Trio-Model with Ensembled Machine Learning algorithms. The proposed model achieved an average accuracy of 97% and an AUC score of 0.96. Compared to past benchmark studies, an increase of over 10% in the F1-score was observed for most diseases. Furthermore, using the Siamese Network, the model successfully made predictions in diseases like optic disc pallor, which past studies failed to predict due to low confidence. This diagnostic tool presents a stable, adaptive, cost-effective, efficient, accessible, and fast solution for globalizing early detection of both common and rare diseases.

  • 1 authors
·
May 27, 2024

A comprehensive grid of massive binary evolution models for the Galaxy - Surface properties of post-mass transfer stars

Massive stars often evolve in binary systems, in which binary interactions significantly affect their evolution. Massive stars in the Galaxy serve as valuable testbeds for this due to their proximity. We computed the evolution of more than 38000 galactic binary systems with initial primary star masses of 5...100 Msun. In this paper, we aim to investigate the surface properties of post-mass transfer mass donor and mass gainer stars through core hydrogen burning, core helium burning, and for the pre-supernova stage. The models are computed with MESA, incorporating detailed stellar and binary physics, including internal differential rotation, magnetic angular momentum transport, mass-dependent overshooting, stellar wind mass-loss, mass and angular momentum transfer and tidal interaction. They incorporate a new extensive nuclear network for hydrogen burning, which allows us to track the full range of hydrogen burning nucleosynthesis products, from the light elements to aluminum. The widest, non-interacting binary models in our grid effectively serve as single star models. We find that mass gainers and mass donors may evolve through long-lived blue and yellow supergiant stages during core helium burning where single stars of the same mass remain red supergiants. Furthermore, some of our gainers evolve into more luminous yellow and blue supergiants prior to core collapse than single stars, while some donors end their life as red or yellow supergiants, showing a rich diversity in supernova progenitors. We show that the surface elemental and isotopic abundances carry valuable information about a star's evolutionary history and can be used to distinguish binary interaction products from single stars. Our binary model grid may serve as a tool for identifying post-mass transfer stars and supernovae, and holds potential for population studies, supernova modeling, and guidance of future observations.

  • 4 authors
·
Oct 22, 2025

CodeDance: A Dynamic Tool-integrated MLLM for Executable Visual Reasoning

Recent releases such as o3 highlight human-like "thinking with images" reasoning that combines structured tool use with stepwise verification, yet most open-source approaches still rely on text-only chains, rigid visual schemas, or single-step pipelines, limiting flexibility, interpretability, and transferability on complex tasks. We introduce CodeDance, which explores executable code as a general solver for visual reasoning. Unlike fixed-schema calls (e.g., only predicting bounding-box coordinates), CodeDance defines, composes, and executes code to orchestrate multiple tools, compute intermediate results, and render visual artifacts (e.g., boxes, lines, plots) that support transparent, self-checkable reasoning. To guide this process, we introduce a reward for balanced and adaptive tool-call, which balances exploration with efficiency and mitigates tool overuse. Interestingly, beyond the expected capabilities taught by atomic supervision, we empirically observe novel emergent behaviors during RL training: CodeDance demonstrates novel tool invocations, unseen compositions, and cross-task transfer. These behaviors arise without task-specific fine-tuning, suggesting a general and scalable mechanism of executable visual reasoning. Extensive experiments across reasoning benchmarks (e.g., visual search, math, chart QA) show that CodeDance not only consistently outperforms schema-driven and text-only baselines, but also surpasses advanced closed models such as GPT-4o and larger open-source models.

  • 9 authors
·
Dec 19, 2025

SIT-Graph: State Integrated Tool Graph for Multi-Turn Agents

Despite impressive advances in agent systems, multi-turn tool-use scenarios remain challenging. It is mainly because intent is clarified progressively and the environment evolves with each tool call. While reusing past experience is natural, current LLM agents either treat entire trajectories or pre-defined subtasks as indivisible units, or solely exploit tool-to-tool dependencies, hindering adaptation as states and information evolve across turns. In this paper, we propose a State Integrated Tool Graph (SIT-Graph), which enhances multi-turn tool use by exploiting partially overlapping experience. Inspired by human decision-making that integrates episodic and procedural memory, SIT-Graph captures both compact state representations (episodic-like fragments) and tool-to-tool dependencies (procedural-like routines) from historical trajectories. Specifically, we first build a tool graph from accumulated tool-use sequences, and then augment each edge with a compact state summary of the dialog and tool history that may shape the next action. At inference time, SIT-Graph enables a human-like balance between episodic recall and procedural execution: when the next decision requires recalling prior context, the agent retrieves the state summaries stored on relevant edges and uses them to guide its next action; when the step is routine, it follows high-confidence tool dependencies without explicit recall. Experiments across multiple stateful multi-turn tool-use benchmarks show that SIT-Graph consistently outperforms strong memory- and graph-based baselines, delivering more robust tool selection and more effective experience transfer.

  • 9 authors
·
Dec 8, 2025

CORRECT: COndensed eRror RECognition via knowledge Transfer in multi-agent systems

Multi-agent systems (MAS) are increasingly capable of tackling complex real-world tasks, yet their reliance on inter-agent coordination, tool use, and long-horizon reasoning makes error recognition particularly challenging. Minor errors can propagate across agents, escalating into task failures while producing long, intertwined execution trajectories that impose significant costs for both human developers and automated systems to debug and analyze. Our key insight is that, despite surface differences in failure trajectories (e.g., logs), MAS errors often recur with similar structural patterns. This paper presents CORRECT, the first lightweight, training-free framework that leverages an online cache of distilled error schemata to recognize and transfer knowledge of failure structures across new requests. This cache-based reuse allows LLMs to perform targeted error localization at inference time, avoiding the need for expensive retraining while adapting to dynamic MAS deployments in subseconds. To support rigorous study in this domain, we also introduce CORRECT-Error, a large-scale dataset of over 2,000 annotated trajectories collected through a novel error-injection pipeline guided by real-world distributions, and further validated through human evaluation to ensure alignment with natural failure patterns. Experiments across seven diverse MAS applications show that CORRECT improves step-level error localization up to 19.8% over existing advances while at near-zero overhead, substantially narrowing the gap between automated and human-level error recognition.

  • 7 authors
·
Sep 28, 2025 2

CREATOR: Disentangling Abstract and Concrete Reasonings of Large Language Models through Tool Creation

Large Language Models (LLMs) have demonstrated significant progress in utilizing external APIs as tools for various tasks. However, their tool-using ability is limited by the availability of suitable APIs and the instability of implicit reasoning, particularly when simultaneously engaging in reasoning about plans and actual calculations. To address these limitations, we propose CREATOR, a novel framework that empowers LLMs to create their own tools through documentation and code realization. CREATOR disentangles the LLM's ability into two distinct phases: abstract tool creation and concrete decision execution, which results in improved LLM performance. We evaluate CREATOR on two established benchmarks: MATH, which consists of challenging math competition problems, and TabMWP, which includes diverse tabular contents for problem-solving. Remarkably, CREATOR significantly outperforms existing chain-of-thought (CoT), program-of-thought (PoT), and tool-using baselines on these two benchmarks. Additionally, we present a new dataset, Creation Challenge, comprising 2K diverse questions, to highlight the necessity and benefits of LLMs' tool creation ability in effectively addressing these problems. Furthermore, our research reveals that leveraging LLMs as tool creators facilitates knowledge transfer, and LLMs exhibit varying levels of tool creation abilities, enabling them to flexibly tackle diverse situations. Our study represents a promising avenue for maximizing the potential of LLMs and advancing toward truly intelligent and adaptable AI systems.

  • 6 authors
·
May 23, 2023

Dissecting Self-Supervised Learning Methods for Surgical Computer Vision

The field of surgical computer vision has undergone considerable breakthroughs in recent years with the rising popularity of deep neural network-based methods. However, standard fully-supervised approaches for training such models require vast amounts of annotated data, imposing a prohibitively high cost; especially in the clinical domain. Self-Supervised Learning (SSL) methods, which have begun to gain traction in the general computer vision community, represent a potential solution to these annotation costs, allowing to learn useful representations from only unlabeled data. Still, the effectiveness of SSL methods in more complex and impactful domains, such as medicine and surgery, remains limited and unexplored. In this work, we address this critical need by investigating four state-of-the-art SSL methods (MoCo v2, SimCLR, DINO, SwAV) in the context of surgical computer vision. We present an extensive analysis of the performance of these methods on the Cholec80 dataset for two fundamental and popular tasks in surgical context understanding, phase recognition and tool presence detection. We examine their parameterization, then their behavior with respect to training data quantities in semi-supervised settings. Correct transfer of these methods to surgery, as described and conducted in this work, leads to substantial performance gains over generic uses of SSL - up to 7.4% on phase recognition and 20% on tool presence detection - as well as state-of-the-art semi-supervised phase recognition approaches by up to 14%. Further results obtained on a highly diverse selection of surgical datasets exhibit strong generalization properties. The code is available at https://github.com/CAMMA-public/SelfSupSurg.

  • 13 authors
·
Jul 1, 2022

KITTI-360: A Novel Dataset and Benchmarks for Urban Scene Understanding in 2D and 3D

For the last few decades, several major subfields of artificial intelligence including computer vision, graphics, and robotics have progressed largely independently from each other. Recently, however, the community has realized that progress towards robust intelligent systems such as self-driving cars requires a concerted effort across the different fields. This motivated us to develop KITTI-360, successor of the popular KITTI dataset. KITTI-360 is a suburban driving dataset which comprises richer input modalities, comprehensive semantic instance annotations and accurate localization to facilitate research at the intersection of vision, graphics and robotics. For efficient annotation, we created a tool to label 3D scenes with bounding primitives and developed a model that transfers this information into the 2D image domain, resulting in over 150k images and 1B 3D points with coherent semantic instance annotations across 2D and 3D. Moreover, we established benchmarks and baselines for several tasks relevant to mobile perception, encompassing problems from computer vision, graphics, and robotics on the same dataset, e.g., semantic scene understanding, novel view synthesis and semantic SLAM. KITTI-360 will enable progress at the intersection of these research areas and thus contribute towards solving one of today's grand challenges: the development of fully autonomous self-driving systems.

  • 3 authors
·
Sep 27, 2021

Knowledge is Not Enough: Injecting RL Skills for Continual Adaptation

Large Language Models (LLMs) face the "knowledge cutoff" challenge, where their frozen parametric memory prevents direct internalization of new information. While Supervised Fine-Tuning (SFT) is commonly used to update model knowledge, it often updates factual content without reliably improving the model's ability to use the newly incorporated information for question answering or decision-making. Reinforcement Learning (RL) is essential for acquiring reasoning skills; however, its high computational cost makes it impractical for efficient online adaptation. We empirically observe that the parameter updates induced by SFT and RL are nearly orthogonal. Based on this observation, we propose Parametric Skill Transfer (PaST), a framework that supports modular skill transfer for efficient and effective knowledge adaptation. By extracting a domain-agnostic Skill Vector from a source domain, we can linearly inject knowledge manipulation skills into a target model after it has undergone lightweight SFT on new data. Experiments on knowledge-incorporation QA (SQuAD, LooGLE) and agentic tool-use benchmarks (ToolBench) demonstrate the effectiveness of our method. On SQuAD, PaST outperforms the state-of-the-art self-editing SFT baseline by up to 9.9 points. PaST further scales to long-context QA on LooGLE with an 8.0-point absolute accuracy gain, and improves zero-shot ToolBench success rates by +10.3 points on average with consistent gains across tool categories, indicating strong scalability and cross-domain transferability of the Skill Vector.

Soft Injection of Task Embeddings Outperforms Prompt-Based In-Context Learning

In-Context Learning (ICL) enables Large Language Models (LLMs) to perform tasks by conditioning on input-output examples in the prompt, without requiring any update in model parameters. While widely adopted, it remains unclear whether prompting with multiple examples is the most effective and efficient way to convey task information. In this work, we propose Soft Injection of task embeddings. The task embeddings are constructed only once using few-shot ICL prompts and repeatedly used during inference. Soft injection is performed by softly mixing task embeddings with attention head activations using pre-optimized mixing parameters, referred to as soft head-selection parameters. This method not only allows a desired task to be performed without in-prompt demonstrations but also significantly outperforms existing ICL approaches while reducing memory usage and compute cost at inference time. An extensive evaluation is performed across 57 tasks and 12 LLMs, spanning four model families of sizes from 4B to 70B. Averaged across 57 tasks, our method outperforms 10-shot ICL by 10.2%-14.3% across 12 LLMs. Additional analyses show that our method also serves as an insightful tool for analyzing task-relevant roles of attention heads, revealing that task-relevant head positions selected by our method transfer across similar tasks but not across dissimilar ones -- underscoring the task-specific nature of head functionality. Our soft injection method opens a new paradigm for reducing prompt length and improving task performance by shifting task conditioning from the prompt space to the activation space.

  • 2 authors
·
Jul 28, 2025

EnterpriseBench Corecraft: Training Generalizable Agents on High-Fidelity RL Environments

We show that training AI agents on high-fidelity reinforcement learning environments produces capabilities that generalize beyond the training distribution. We introduce CoreCraft, the first environment in EnterpriseBench, Surge AI's suite of agentic RL environments. CoreCraft is a fully operational enterprise simulation of a customer support organization, comprising over 2,500 entities across 14 entity types with 23 unique tools, designed to measure whether AI agents can perform the multi-step, domain-specific work that real jobs demand. Frontier models such as GPT-5.2 and Claude Opus 4.6 solve fewer than 30% of tasks when all expert-authored rubric criteria must be satisfied. Using this environment, we train GLM 4.6 with Group Relative Policy Optimization (GRPO) and adaptive clipping. After a single epoch of training, the model improves from 25.37% to 36.76% task pass rate on held-out evaluation tasks. More importantly, these gains transfer to out-of-distribution benchmarks: +4.5% on BFCL Parallel, +7.4% on Tau2-Bench Retail, and +6.8% on Tool Decathlon (Pass@1). We believe three environment properties are consistent with the observed transfer: task-centric world building that optimizes for diverse, challenging tasks; expert-authored rubrics enabling reliable reward computation; and enterprise workflows that reflect realistic professional patterns. Our results suggest that environment quality, diversity, and realism are key factors enabling generalizable agent capabilities.

  • 6 authors
·
Feb 17

Synthesis of Sound and Precise Leakage Contracts for Open-Source RISC-V Processors

Leakage contracts have been proposed as a new security abstraction at the instruction set architecture level. Leakage contracts aim to capture the information that processors may leak via microarchitectural side channels. Recently, the first tools have emerged to verify whether a processor satisfies a given contract. However, coming up with a contract that is both sound and precise for a given processor is challenging, time-consuming, and error-prone, as it requires in-depth knowledge of the timing side channels introduced by microarchitectural optimizations. In this paper, we address this challenge by proposing LeaSyn, the first tool for automatically synthesizing leakage contracts that are both sound and precise for processor designs at register-transfer level. Starting from a user-provided contract template that captures the space of possible contracts, LeaSyn automatically constructs a contract, alternating between contract synthesis, which ensures precision based on an empirical characterization of the processor's leaks, and contract verification, which ensures soundness. Using LeaSyn, we automatically synthesize contracts for six open-source RISC-V CPUs for a variety of contract templates. Our experiments indicate that LeaSyn's contracts are sound and more precise (i.e., represent the actual leaks in the target processor more faithfully) than contracts constructed by existing approaches.

  • 5 authors
·
Sep 8, 2025

Addressing Class Imbalance and Data Limitations in Advanced Node Semiconductor Defect Inspection: A Generative Approach for SEM Images

Precision in identifying nanometer-scale device-killer defects is crucial in both semiconductor research and development as well as in production processes. The effectiveness of existing ML-based approaches in this context is largely limited by the scarcity of data, as the production of real semiconductor wafer data for training these models involves high financial and time costs. Moreover, the existing simulation methods fall short of replicating images with identical noise characteristics, surface roughness and stochastic variations at advanced nodes. We propose a method for generating synthetic semiconductor SEM images using a diffusion model within a limited data regime. In contrast to images generated through conventional simulation methods, SEM images generated through our proposed DL method closely resemble real SEM images, replicating their noise characteristics and surface roughness adaptively. Our main contributions, which are validated on three different real semiconductor datasets, are: i) proposing a patch-based generative framework utilizing DDPM to create SEM images with intended defect classes, addressing challenges related to class-imbalance and data insufficiency, ii) demonstrating generated synthetic images closely resemble real SEM images acquired from the tool, preserving all imaging conditions and metrology characteristics without any metadata supervision, iii) demonstrating a defect detector trained on generated defect dataset, either independently or combined with a limited real dataset, can achieve similar or improved performance on real wafer SEM images during validation/testing compared to exclusive training on a real defect dataset, iv) demonstrating the ability of the proposed approach to transfer defect types, critical dimensions, and imaging conditions from one specified CD/Pitch and metrology specifications to another, thereby highlighting its versatility.

  • 5 authors
·
Jul 14, 2024

ToolGen: Unified Tool Retrieval and Calling via Generation

As large language models (LLMs) advance, their inability to autonomously execute tasks by directly interacting with external tools remains a critical limitation. Traditional methods rely on inputting tool descriptions as context, which is constrained by context length and requires separate, often inefficient, retrieval mechanisms. We introduce ToolGen, a paradigm shift that integrates tool knowledge directly into the LLM's parameters by representing each tool as a unique token. This enables the LLM to generate tool calls and arguments as part of its next token prediction capabilities, seamlessly blending tool invocation with language generation. Our framework allows the LLM to access and utilize a vast amount of tools with no additional retrieval step, significantly enhancing both performance and scalability. Experimental results with over 47,000 tools show that ToolGen not only achieves superior results in both tool retrieval and autonomous task completion but also sets the stage for a new era of AI agents that can adapt to tools across diverse domains. By fundamentally transforming tool retrieval into a generative process, ToolGen paves the way for more versatile, efficient, and autonomous AI systems. ToolGen enables end-to-end tool learning and opens opportunities for integration with other advanced techniques such as chain-of-thought and reinforcement learning, thereby expanding the practical capabilities of LLMs.

  • 6 authors
·
Oct 4, 2024

Do logarithmic proximity measures outperform plain ones in graph clustering?

We consider a number of graph kernels and proximity measures including commute time kernel, regularized Laplacian kernel, heat kernel, exponential diffusion kernel (also called "communicability"), etc., and the corresponding distances as applied to clustering nodes in random graphs and several well-known datasets. The model of generating random graphs involves edge probabilities for the pairs of nodes that belong to the same class or different predefined classes of nodes. It turns out that in most cases, logarithmic measures (i.e., measures resulting after taking logarithm of the proximities) perform better while distinguishing underlying classes than the "plain" measures. A comparison in terms of reject curves of inter-class and intra-class distances confirms this conclusion. A similar conclusion can be made for several well-known datasets. A possible origin of this effect is that most kernels have a multiplicative nature, while the nature of distances used in cluster algorithms is an additive one (cf. the triangle inequality). The logarithmic transformation is a tool to transform the first nature to the second one. Moreover, some distances corresponding to the logarithmic measures possess a meaningful cutpoint additivity property. In our experiments, the leader is usually the logarithmic Communicability measure. However, we indicate some more complicated cases in which other measures, typically, Communicability and plain Walk, can be the winners.

  • 2 authors
·
May 3, 2016

A Novel Metric for Detecting Memorization in Generative Models for Brain MRI Synthesis

Deep generative models have emerged as a transformative tool in medical imaging, offering substantial potential for synthetic data generation. However, recent empirical studies highlight a critical vulnerability: these models can memorize sensitive training data, posing significant risks of unauthorized patient information disclosure. Detecting memorization in generative models remains particularly challenging, necessitating scalable methods capable of identifying training data leakage across large sets of generated samples. In this work, we propose DeepSSIM, a novel self-supervised metric for quantifying memorization in generative models. DeepSSIM is trained to: i) project images into a learned embedding space and ii) force the cosine similarity between embeddings to match the ground-truth SSIM (Structural Similarity Index) scores computed in the image space. To capture domain-specific anatomical features, training incorporates structure-preserving augmentations, allowing DeepSSIM to estimate similarity reliably without requiring precise spatial alignment. We evaluate DeepSSIM in a case study involving synthetic brain MRI data generated by a Latent Diffusion Model (LDM) trained under memorization-prone conditions, using 2,195 MRI scans from two publicly available datasets (IXI and CoRR). Compared to state-of-the-art memorization metrics, DeepSSIM achieves superior performance, improving F1 scores by an average of +52.03% over the best existing method. Code and data of our approach are publicly available at the following link: https://github.com/brAIn-science/DeepSSIM.

  • 5 authors
·
Sep 20, 2025

A Systematic Literature Review of Software Engineering Research on Jupyter Notebook

Context: Jupyter Notebook has emerged as a versatile tool that transforms how researchers, developers, and data scientists conduct and communicate their work. As the adoption of Jupyter notebooks continues to rise, so does the interest from the software engineering research community in improving the software engineering practices for Jupyter notebooks. Objective: The purpose of this study is to analyze trends, gaps, and methodologies used in software engineering research on Jupyter notebooks. Method: We selected 146 relevant publications from the DBLP Computer Science Bibliography up to the end of 2024, following established systematic literature review guidelines. We explored publication trends, categorized them based on software engineering topics, and reported findings based on those topics. Results: The most popular venues for publishing software engineering research on Jupyter notebooks are related to human-computer interaction instead of traditional software engineering venues. Researchers have addressed a wide range of software engineering topics on notebooks, such as code reuse, readability, and execution environment. Although reusability is one of the research topics for Jupyter notebooks, only 64 of the 146 studies can be reused based on their provided URLs. Additionally, most replication packages are not hosted on permanent repositories for long-term availability and adherence to open science principles. Conclusion: Solutions specific to notebooks for software engineering issues, including testing, refactoring, and documentation, are underexplored. Future research opportunities exist in automatic testing frameworks, refactoring clones between notebooks, and generating group documentation for coherent code cells.

  • 3 authors
·
Apr 22, 2025

Generating Narrated Lecture Videos from Slides with Synchronized Highlights

Turning static slides into engaging video lectures takes considerable time and effort, requiring presenters to record explanations and visually guide their audience through the material. We introduce an end-to-end system designed to automate this process entirely. Given a slide deck, this system synthesizes a video lecture featuring AI-generated narration synchronized precisely with dynamic visual highlights. These highlights automatically draw attention to the specific concept being discussed, much like an effective presenter would. The core technical contribution is a novel highlight alignment module. This module accurately maps spoken phrases to locations on a given slide using diverse strategies (e.g., Levenshtein distance, LLM-based semantic analysis) at selectable granularities (line or word level) and utilizes timestamp-providing Text-to-Speech (TTS) for timing synchronization. We demonstrate the system's effectiveness through a technical evaluation using a manually annotated slide dataset with 1000 samples, finding that LLM-based alignment achieves high location accuracy (F1 > 92%), significantly outperforming simpler methods, especially on complex, math-heavy content. Furthermore, the calculated generation cost averages under $1 per hour of video, offering potential savings of two orders of magnitude compared to conservative estimates of manual production costs. This combination of high accuracy and extremely low cost positions this approach as a practical and scalable tool for transforming static slides into effective, visually-guided video lectures.

  • 1 authors
·
May 5, 2025

SPRMamba: Surgical Phase Recognition for Endoscopic Submucosal Dissection with Mamba

Endoscopic Submucosal Dissection (ESD) is a minimally invasive procedure initially developed for early gastric cancer treatment and has expanded to address diverse gastrointestinal lesions. While computer-assisted surgery (CAS) systems enhance ESD precision and safety, their efficacy hinges on accurate real-time surgical phase recognition, a task complicated by ESD's inherent complexity, including heterogeneous lesion characteristics and dynamic tissue interactions. Existing video-based phase recognition algorithms, constrained by inefficient temporal context modeling, exhibit limited performance in capturing fine-grained phase transitions and long-range dependencies. To overcome these limitations, we propose SPRMamba, a novel framework integrating a Mamba-based architecture with a Scaled Residual TranMamba (SRTM) block to synergize long-term temporal modeling and localized detail extraction. SPRMamba further introduces the Hierarchical Sampling Strategy to optimize computational efficiency, enabling real-time processing critical for clinical deployment. Evaluated on the ESD385 dataset and the cholecystectomy benchmark Cholec80, SPRMamba achieves state-of-the-art performance (87.64% accuracy on ESD385, +1.0% over prior methods), demonstrating robust generalizability across surgical workflows. This advancement bridges the gap between computational efficiency and temporal sensitivity, offering a transformative tool for intraoperative guidance and skill assessment in ESD surgery. The code is accessible at https://github.com/Zxnyyyyy/SPRMamba.

  • 8 authors
·
Sep 18, 2024

Evaluation of Contrastive Learning with Various Code Representations for Code Clone Detection

Code clones are pairs of code snippets that implement similar functionality. Clone detection is a fundamental branch of automatic source code comprehension, having many applications in refactoring recommendation, plagiarism detection, and code summarization. A particularly interesting case of clone detection is the detection of semantic clones, i.e., code snippets that have the same functionality but significantly differ in implementation. A promising approach to detecting semantic clones is contrastive learning (CL), a machine learning paradigm popular in computer vision but not yet commonly adopted for code processing. Our work aims to evaluate the most popular CL algorithms combined with three source code representations on two tasks. The first task is code clone detection, which we evaluate on the POJ-104 dataset containing implementations of 104 algorithms. The second task is plagiarism detection. To evaluate the models on this task, we introduce CodeTransformator, a tool for transforming source code. We use it to create a dataset that mimics plagiarised code based on competitive programming solutions. We trained nine models for both tasks and compared them with six existing approaches, including traditional tools and modern pre-trained neural models. The results of our evaluation show that proposed models perform diversely in each task, however the performance of the graph-based models is generally above the others. Among CL algorithms, SimCLR and SwAV lead to better results, while Moco is the most robust approach. Our code and trained models are available at https://doi.org/10.5281/zenodo.6360627, https://doi.org/10.5281/zenodo.5596345.

  • 4 authors
·
Jun 17, 2022

MeshSegmenter: Zero-Shot Mesh Semantic Segmentation via Texture Synthesis

We present MeshSegmenter, a simple yet effective framework designed for zero-shot 3D semantic segmentation. This model successfully extends the powerful capabilities of 2D segmentation models to 3D meshes, delivering accurate 3D segmentation across diverse meshes and segment descriptions. Specifically, our model leverages the Segment Anything Model (SAM) model to segment the target regions from images rendered from the 3D shape. In light of the importance of the texture for segmentation, we also leverage the pretrained stable diffusion model to generate images with textures from 3D shape, and leverage SAM to segment the target regions from images with textures. Textures supplement the shape for segmentation and facilitate accurate 3D segmentation even in geometrically non-prominent areas, such as segmenting a car door within a car mesh. To achieve the 3D segments, we render 2D images from different views and conduct segmentation for both textured and untextured images. Lastly, we develop a multi-view revoting scheme that integrates 2D segmentation results and confidence scores from various views onto the 3D mesh, ensuring the 3D consistency of segmentation results and eliminating inaccuracies from specific perspectives. Through these innovations, MeshSegmenter offers stable and reliable 3D segmentation results both quantitatively and qualitatively, highlighting its potential as a transformative tool in the field of 3D zero-shot segmentation. The code is available at https://github.com/zimingzhong/MeshSegmenter.

  • 7 authors
·
Jul 18, 2024

News Deja Vu: Connecting Past and Present with Semantic Search

Social scientists and the general public often analyze contemporary events by drawing parallels with the past, a process complicated by the vast, noisy, and unstructured nature of historical texts. For example, hundreds of millions of page scans from historical newspapers have been noisily transcribed. Traditional sparse methods for searching for relevant material in these vast corpora, e.g., with keywords, can be brittle given complex vocabularies and OCR noise. This study introduces News Deja Vu, a novel semantic search tool that leverages transformer large language models and a bi-encoder approach to identify historical news articles that are most similar to modern news queries. News Deja Vu first recognizes and masks entities, in order to focus on broader parallels rather than the specific named entities being discussed. Then, a contrastively trained, lightweight bi-encoder retrieves historical articles that are most similar semantically to a modern query, illustrating how phenomena that might seem unique to the present have varied historical precedents. Aimed at social scientists, the user-friendly News Deja Vu package is designed to be accessible for those who lack extensive familiarity with deep learning. It works with large text datasets, and we show how it can be deployed to a massive scale corpus of historical, open-source news articles. While human expertise remains important for drawing deeper insights, News Deja Vu provides a powerful tool for exploring parallels in how people have perceived past and present.

  • 5 authors
·
Jun 21, 2024

If You Want Coherence, Orchestrate a Team of Rivals: Multi-Agent Models of Organizational Intelligence

AI Agents can perform complex operations at great speed, but just like all the humans we have ever hired, their intelligence remains fallible. Miscommunications aren't noticed, systemic biases have no counter-action, and inner monologues are rarely written down. We did not come to fire them for their mistakes, but to hire them and provide a safe productive working environment. We posit that we can reuse a common corporate organizational structure: teams of independent AI agents with strict role boundaries can work with common goals, but opposing incentives. Multiple models serving as a team of rivals can catch and minimize errors within the final product at a small cost to the velocity of actions. In this paper we demonstrate that we can achieve reliability without acquiring perfect components, but through careful orchestration of imperfect ones. This paper describes the architecture of such a system in practice: specialized agent teams (planners, executors, critics, experts), organized into an organization with clear goals, coordinated through a remote code executor that keeps data transformations and tool invocations separate from reasoning models. Rather than agents directly calling tools and ingesting full responses, they write code that executes remotely; only relevant summaries return to agent context. By preventing raw data and tool outputs from contaminating context windows, the system maintains clean separation between perception (brains that plan and reason) and execution (hands that perform heavy data transformations and API calls). We demonstrate the approach achieves over 90% internal error interception prior to user exposure while maintaining acceptable latency tradeoffs. A survey from our traces shows that we only trade off cost and latency to achieve correctness and incrementally expand capabilities without impacting existing ones.

  • 5 authors
·
Jan 20

Beyond Seeing: Evaluating Multimodal LLMs on Tool-Enabled Image Perception, Transformation, and Reasoning

Multimodal Large Language Models (MLLMs) are increasingly applied in real-world scenarios where user-provided images are often imperfect, requiring active image manipulations such as cropping, editing, or enhancement to uncover salient visual cues. Beyond static visual perception, MLLMs must also think with images: dynamically transforming visual content and integrating it with other tools to solve complex tasks. However, this shift from treating vision as passive context to a manipulable cognitive workspace remains underexplored. Most existing benchmarks still follow a think about images paradigm, where images are regarded as static inputs. To address this gap, we introduce VisualToolBench, a visual tool-use reasoning benchmark that rigorously evaluates MLLMs' ability to perceive, transform, and reason across complex visual-textual tasks under the think-with-images paradigm. VisualToolBench comprises 1,204 challenging, open-ended vision tasks (603 single-turn, 601 multi-turn) spanning across five diverse domains, each paired with detailed rubrics to enable systematic evaluation. Our evaluation shows that current MLLMs struggle with tasks requiring effective integration of vision and general-purpose tools. Even the strongest model (GPT-5-think) reaches only 18.68% pass rate. We further observe divergent tool-use behaviors, with OpenAI models benefiting from diverse image manipulations while Gemini-2.5-pro shows no improvement. By introducing the first benchmark centered on think with images, VisualToolBench offers critical insights for advancing visual intelligence in MLLMs.

  • 11 authors
·
Oct 14, 2025

Evolving from Tool User to Creator via Training-Free Experience Reuse in Multimodal Reasoning

Existing Tool-Integrated Reasoning (TIR) models have effectively extended the question-answering capabilities of LLMs by incorporating external tools. However, real-world scenarios present numerous open-ended problems where fixed tools often fail to meet task requirements. Furthermore, the lack of self-optimization mechanisms means that erroneous tool outputs can mislead the LLM's responses. Additionally, the construction of existing tools entails significant manual effort, which consequently constrains their applicability. Recognizing that the reasoning traces of LLMs encapsulate implicit problem-solving capabilities, we propose UCT, a novel training-free framework that transforms agents from tool users to tool creators. This approach harvests reasoning experiences and distills them into reusable assets. This method transforms the agent from a mere tool user into a tool creator, enabling adaptive tool creation and self-updating during the inference process. We also introduce a memory consolidation mechanism to maintain the tool library, ensuring high reusability of retained experiential memory for subsequent reasoning tasks. This novel automated tool construction paradigm continuously improves tool quality during reasoning, allowing the overall agent system to progress without additional training. Extensive experiments demonstrate that our method serves as a novel paradigm for enhancing the capabilities of TIR models. In particular, the significant performance gains achieved +20.86%uparrow and +23.04%uparrow on benchmarks across multi-domain mathematical and scientific reasoning tasks validate the self-evolving capability of the agent.

SpectraFormer: an Attention-Based Raman Unmixing Tool for Accessing the Graphene Buffer-Layer Signature on SiC

Raman spectroscopy is a key tool for graphene characterization, yet its application to graphene grown on silicon carbide (SiC) is strongly limited by the intense and variable second-order Raman response of the substrate. This limitation is critical for buffer layer graphene, a semiconducting interfacial phase, whose vibrational signatures are overlapped with the SiC background and challenging to be reliably accessed using conventional reference-based subtraction, due to strong spatial and experimental variability of the substrate signal. Here we present SpectraFormer, a transformer-based deep learning model that reconstructs the SiC Raman substrate contribution directly from post-growth partially masked spectroscopic data without relying on explicit reference measurements. By learning global correlations across the entire Raman shift range, the model captures the statistical structure of the SiC background and enables accurate reconstruction of its contribution in mixed spectra. Subtraction of the reconstructed substrate signal reveals weak vibrational features associated with ZLG that are inaccessible through conventional analysis methods. The extracted spectra are validated by ab initio vibrational calculations, allowing assignment of the resolved features to specific modes and confirming their physical consistency. By leveraging a state-of-the-art attention-based deep learning architecture, this approach establishes a robust, reference-free framework for Raman analysis of graphene on SiC and provides a foundation, compatible with real-time data acquisition, to its integration into automated, closed-loop AI-assisted growth optimization.

  • 10 authors
·
Jan 7

Transformer-Based Models Are Not Yet Perfect At Learning to Emulate Structural Recursion

This paper investigates the ability of transformer-based models to learn structural recursion from examples. Recursion is a universal concept in both natural and formal languages. Structural recursion is central to the programming language and formal mathematics tasks where symbolic tools currently excel beyond neural models, such as inferring semantic relations between datatypes and emulating program behavior. We introduce a general framework that nicely connects the abstract concepts of structural recursion in the programming language domain to concrete sequence modeling problems and learned models' behavior. The framework includes a representation that captures the general syntax of structural recursion, coupled with two different frameworks for understanding their semantics -- one that is more natural from a programming languages perspective and one that helps bridge that perspective with a mechanistic understanding of the underlying transformer architecture. With our framework as a powerful conceptual tool, we identify different issues under various set-ups. The models trained to emulate recursive computations cannot fully capture the recursion yet instead fit short-cut algorithms and thus cannot solve certain edge cases that are under-represented in the training distribution. In addition, it is difficult for state-of-the-art large language models (LLMs) to mine recursive rules from in-context demonstrations. Meanwhile, these LLMs fail in interesting ways when emulating reduction (step-wise computation) of the recursive function.

  • 6 authors
·
Jan 23, 2024 2

TURA: Tool-Augmented Unified Retrieval Agent for AI Search

The advent of Large Language Models (LLMs) is transforming search engines into conversational AI search products, primarily using Retrieval-Augmented Generation (RAG) on web corpora. However, this paradigm has significant industrial limitations. Traditional RAG approaches struggle with real-time needs and structured queries that require accessing dynamically generated content like ticket availability or inventory. Limited to indexing static pages, search engines cannot perform the interactive queries needed for such time-sensitive data. Academic research has focused on optimizing RAG for static content, overlooking complex intents and the need for dynamic sources like databases and real-time APIs. To bridge this gap, we introduce TURA (Tool-Augmented Unified Retrieval Agent for AI Search), a novel three-stage framework that combines RAG with agentic tool-use to access both static content and dynamic, real-time information. TURA has three key components: an Intent-Aware Retrieval module to decompose queries and retrieve information sources encapsulated as Model Context Protocol (MCP) Servers, a DAG-based Task Planner that models task dependencies as a Directed Acyclic Graph (DAG) for optimal parallel execution, and a lightweight Distilled Agent Executor for efficient tool calling. TURA is the first architecture to systematically bridge the gap between static RAG and dynamic information sources for a world-class AI search product. Serving tens of millions of users, it leverages an agentic framework to deliver robust, real-time answers while meeting the low-latency demands of a large-scale industrial system.

  • 9 authors
·
Aug 6, 2025

Reasoning While Asking: Transforming Reasoning Large Language Models from Passive Solvers to Proactive Inquirers

Reasoning-oriented Large Language Models (LLMs) have achieved remarkable progress with Chain-of-Thought (CoT) prompting, yet they remain fundamentally limited by a blind self-thinking paradigm: performing extensive internal reasoning even when critical information is missing or ambiguous. We propose Proactive Interactive Reasoning (PIR), a new reasoning paradigm that transforms LLMs from passive solvers into proactive inquirers that interleave reasoning with clarification. Unlike existing search- or tool-based frameworks that primarily address knowledge uncertainty by querying external environments, PIR targets premise- and intent-level uncertainty through direct interaction with the user. PIR is implemented via two core components: (1) an uncertainty-aware supervised fine-tuning procedure that equips models with interactive reasoning capability, and (2) a user-simulator-based policy optimization framework driven by a composite reward that aligns model behavior with user intent. Extensive experiments on mathematical reasoning, code generation, and document editing demonstrate that PIR consistently outperforms strong baselines, achieving up to 32.70\% higher accuracy, 22.90\% higher pass rate, and 41.36 BLEU improvement, while reducing nearly half of the reasoning computation and unnecessary interaction turns. Further reliability evaluations on factual knowledge, question answering, and missing-premise scenarios confirm the strong generalization and robustness of PIR. Model and code are publicly available at: https://github.com/SUAT-AIRI/Proactive-Interactive-R1

  • 8 authors
·
Jan 29

Chirp Localization via Fine-Tuned Transformer Model: A Proof-of-Concept Study

Spectrograms are pivotal in time-frequency signal analysis, widely used in audio processing and computational neuroscience. Chirp-like patterns in electroencephalogram (EEG) spectrograms (marked by linear or exponential frequency sweep) are key biomarkers for seizure dynamics, but automated tools for their detection, localization, and feature extraction are lacking. This study bridges this gap by fine-tuning a Vision Transformer (ViT) model on synthetic spectrograms, augmented with Low-Rank Adaptation (LoRA) to boost adaptability. We generated 100000 synthetic spectrograms with chirp parameters, creating the first large-scale benchmark for chirp localization. These spectrograms mimic neural chirps using linear or exponential frequency sweep, Gaussian noise, and smoothing. A ViT model, adapted for regression, predicted chirp parameters. LoRA fine-tuned the attention layers, enabling efficient updates to the pre-trained backbone. Training used MSE loss and the AdamW optimizer, with a learning rate scheduler and early stopping to curb overfitting. Only three features were targeted: Chirp Start Time (Onset Time), Chirp Start Frequency (Onset Frequency), and Chirp End Frequency (Offset Frequency). Performance was evaluated via Pearson correlation between predicted and actual labels. Results showed strong alignment: 0.9841 correlation for chirp start time, with stable inference times (137 to 140s) and minimal bias in error distributions. This approach offers a tool for chirp analysis in EEG time-frequency representation, filling a critical methodological void.

  • 2 authors
·
Mar 24, 2025

White-Box Diffusion Transformer for single-cell RNA-seq generation

As a powerful tool for characterizing cellular subpopulations and cellular heterogeneity, single cell RNA sequencing (scRNA-seq) technology offers advantages of high throughput and multidimensional analysis. However, the process of data acquisition is often constrained by high cost and limited sample availability. To overcome these limitations, we propose a hybrid model based on Diffusion model and White-Box transformer that aims to generate synthetic and biologically plausible scRNA-seq data. Diffusion model progressively introduce noise into the data and then recover the original data through a denoising process, a forward and reverse process that is particularly suitable for generating complex data distributions. White-Box transformer is a deep learning architecture that emphasizes mathematical interpretability. By minimizing the encoding rate of the data and maximizing the sparsity of the representation, it not only reduces the computational burden, but also provides clear insight into underlying structure. Our White-Box Diffusion Transformer combines the generative capabilities of Diffusion model with the mathematical interpretability of White-Box transformer. Through experiments using six different single-cell RNA-Seq datasets, we visualize both generated and real data using t-SNE dimensionality reduction technique, as well as quantify similarity between generated and real data using various metrics to demonstrate comparable performance of White-Box Diffusion Transformer and Diffusion Transformer in generating scRNA-seq data alongside significant improvements in training efficiency and resource utilization. Our code is available at https://github.com/lingximamo/White-Box-Diffusion-Transformer

  • 3 authors
·
Nov 11, 2024

Automatic Differential Diagnosis using Transformer-Based Multi-Label Sequence Classification

As the field of artificial intelligence progresses, assistive technologies are becoming more widely used across all industries. The healthcare industry is no different, with numerous studies being done to develop assistive tools for healthcare professionals. Automatic diagnostic systems are one such beneficial tool that can assist with a variety of tasks, including collecting patient information, analyzing test results, and diagnosing patients. However, the idea of developing systems that can provide a differential diagnosis has been largely overlooked in most of these research studies. In this study, we propose a transformer-based approach for providing differential diagnoses based on a patient's age, sex, medical history, and symptoms. We use the DDXPlus dataset, which provides differential diagnosis information for patients based on 49 disease types. Firstly, we propose a method to process the tabular patient data from the dataset and engineer them into patient reports to make them suitable for our research. In addition, we introduce two data modification modules to diversify the training data and consequently improve the robustness of the models. We approach the task as a multi-label classification problem and conduct extensive experiments using four transformer models. All the models displayed promising results by achieving over 97% F1 score on the held-out test set. Moreover, we design additional behavioral tests to get a broader understanding of the models. In particular, for one of our test cases, we prepared a custom test set of 100 samples with the assistance of a doctor. The results on the custom set showed that our proposed data modification modules improved the model's generalization capabilities. We hope our findings will provide future researchers with valuable insights and inspire them to develop reliable systems for automatic differential diagnosis.

  • 3 authors
·
Aug 28, 2024 1

Toolshed: Scale Tool-Equipped Agents with Advanced RAG-Tool Fusion and Tool Knowledge Bases

Recent advancements in tool-equipped Agents (LLMs) have enabled complex tasks like secure database interactions and multi-agent code development. However, scaling tool capacity beyond agent reasoning or model limits remains a challenge. In this paper, we address these challenges by introducing Toolshed Knowledge Bases, a tool knowledge base (vector database) designed to store enhanced tool representations and optimize tool selection for large-scale tool-equipped Agents. Additionally, we propose Advanced RAG-Tool Fusion, a novel ensemble of tool-applied advanced retrieval-augmented generation (RAG) techniques across the pre-retrieval, intra-retrieval, and post-retrieval phases, without requiring model fine-tuning. During pre-retrieval, tool documents are enhanced with key information and stored in the Toolshed Knowledge Base. Intra-retrieval focuses on query planning and transformation to increase retrieval accuracy. Post-retrieval refines the retrieved tool documents and enables self-reflection. Furthermore, by varying both the total number of tools (tool-M) an Agent has access to and the tool selection threshold (top-k), we address trade-offs between retrieval accuracy, agent performance, and token cost. Our approach achieves 46%, 56%, and 47% absolute improvements on the ToolE single-tool, ToolE multi-tool and Seal-Tools benchmark datasets, respectively (Recall@5).

  • 5 authors
·
Oct 18, 2024

Statistical Depth for Ranking and Characterizing Transformer-Based Text Embeddings

The popularity of transformer-based text embeddings calls for better statistical tools for measuring distributions of such embeddings. One such tool would be a method for ranking texts within a corpus by centrality, i.e. assigning each text a number signifying how representative that text is of the corpus as a whole. However, an intrinsic center-outward ordering of high-dimensional text representations is not trivial. A statistical depth is a function for ranking k-dimensional objects by measuring centrality with respect to some observed k-dimensional distribution. We adopt a statistical depth to measure distributions of transformer-based text embeddings, transformer-based text embedding (TTE) depth, and introduce the practical use of this depth for both modeling and distributional inference in NLP pipelines. We first define TTE depth and an associated rank sum test for determining whether two corpora differ significantly in embedding space. We then use TTE depth for the task of in-context learning prompt selection, showing that this approach reliably improves performance over statistical baseline approaches across six text classification tasks. Finally, we use TTE depth and the associated rank sum test to characterize the distributions of synthesized and human-generated corpora, showing that five recent synthetic data augmentation processes cause a measurable distributional shift away from associated human-generated text.

  • 2 authors
·
Oct 23, 2023

Cross-Domain Evaluation of Transformer-Based Vulnerability Detection on Open & Industry Data

Deep learning solutions for vulnerability detection proposed in academic research are not always accessible to developers, and their applicability in industrial settings is rarely addressed. Transferring such technologies from academia to industry presents challenges related to trustworthiness, legacy systems, limited digital literacy, and the gap between academic and industrial expertise. For deep learning in particular, performance and integration into existing workflows are additional concerns. In this work, we first evaluate the performance of CodeBERT for detecting vulnerable functions in industrial and open-source software. We analyse its cross-domain generalisation when fine-tuned on open-source data and tested on industrial data, and vice versa, also exploring strategies for handling class imbalance. Based on these results, we develop AI-DO(Automating vulnerability detection Integration for Developers' Operations), a Continuous Integration-Continuous Deployment (CI/CD)-integrated recommender system that uses fine-tuned CodeBERT to detect and localise vulnerabilities during code review without disrupting workflows. Finally, we assess the tool's perceived usefulness through a survey with the company's IT professionals. Our results show that models trained on industrial data detect vulnerabilities accurately within the same domain but lose performance on open-source code, while a deep learner fine-tuned on open data, with appropriate undersampling techniques, improves the detection of vulnerabilities.

  • 3 authors
·
Sep 11, 2025 2

Vector-free DNA transfection by nuclear envelope mechanoporation

Genetic engineering of cells has a range of applications in treating incurable diseases. Plasmid DNA is a popular choice of nucleic acid for cell engineering due to its low cost and stability. However, plasmid DNA must survive the protective mechanisms present in the cell's cytoplasm to enter the nucleus for translation. Many of the existing methods for nucleic acid delivery, such as chemical-based and virus-based delivery, suffer from drawbacks induced by the nucleic acid carrier itself. Mechanical methods present an alternative to nucleic acid carriers by physically producing openings in the cell to deliver cargos. However, in most systems, the cell membrane openings are too small to deliver large cargos, or the poration process leads to low cell viability. In this study, we present a microfluidic device with integrated high aspect ratio nanostructures that repeatably rupture the cell membrane and nuclear envelope. These sharp-tipped nanolancets penetrate the cell deep enough to allow direct delivery of cargos into the nucleus, but still allow for cell recovery after treatment. We show the device's ability to deliver cargo to a variety of cell types while maintaining high viability. Then, we demonstrate the rapid onset of plasmid DNA expression that results from direct nuclear delivery of naked DNA, showing expression speeds comparable to microinjection, but with significantly greater throughput. We envision the use of this device as a tool to quickly produce high quantities of genetically engineered cells to treat a myriad of diseases.

  • 8 authors
·
Oct 2, 2025

CreatiLayout: Siamese Multimodal Diffusion Transformer for Creative Layout-to-Image Generation

Diffusion models have been recognized for their ability to generate images that are not only visually appealing but also of high artistic quality. As a result, Layout-to-Image (L2I) generation has been proposed to leverage region-specific positions and descriptions to enable more precise and controllable generation. However, previous methods primarily focus on UNet-based models (e.g., SD1.5 and SDXL), and limited effort has explored Multimodal Diffusion Transformers (MM-DiTs), which have demonstrated powerful image generation capabilities. Enabling MM-DiT for layout-to-image generation seems straightforward but is challenging due to the complexity of how layout is introduced, integrated, and balanced among multiple modalities. To this end, we explore various network variants to efficiently incorporate layout guidance into MM-DiT, and ultimately present SiamLayout. To Inherit the advantages of MM-DiT, we use a separate set of network weights to process the layout, treating it as equally important as the image and text modalities. Meanwhile, to alleviate the competition among modalities, we decouple the image-layout interaction into a siamese branch alongside the image-text one and fuse them in the later stage. Moreover, we contribute a large-scale layout dataset, named LayoutSAM, which includes 2.7 million image-text pairs and 10.7 million entities. Each entity is annotated with a bounding box and a detailed description. We further construct the LayoutSAM-Eval benchmark as a comprehensive tool for evaluating the L2I generation quality. Finally, we introduce the Layout Designer, which taps into the potential of large language models in layout planning, transforming them into experts in layout generation and optimization. Our code, model, and dataset will be available at https://creatilayout.github.io.

  • 8 authors
·
Dec 4, 2024

Surgical tool classification and localization: results and methods from the MICCAI 2022 SurgToolLoc challenge

The ability to automatically detect and track surgical instruments in endoscopic videos can enable transformational interventions. Assessing surgical performance and efficiency, identifying skilled tool use and choreography, and planning operational and logistical aspects of OR resources are just a few of the applications that could benefit. Unfortunately, obtaining the annotations needed to train machine learning models to identify and localize surgical tools is a difficult task. Annotating bounding boxes frame-by-frame is tedious and time-consuming, yet large amounts of data with a wide variety of surgical tools and surgeries must be captured for robust training. Moreover, ongoing annotator training is needed to stay up to date with surgical instrument innovation. In robotic-assisted surgery, however, potentially informative data like timestamps of instrument installation and removal can be programmatically harvested. The ability to rely on tool installation data alone would significantly reduce the workload to train robust tool-tracking models. With this motivation in mind we invited the surgical data science community to participate in the challenge, SurgToolLoc 2022. The goal was to leverage tool presence data as weak labels for machine learning models trained to detect tools and localize them in video frames with bounding boxes. We present the results of this challenge along with many of the team's efforts. We conclude by discussing these results in the broader context of machine learning and surgical data science. The training data used for this challenge consisting of 24,695 video clips with tool presence labels is also being released publicly and can be accessed at https://console.cloud.google.com/storage/browser/isi-surgtoolloc-2022.

  • 71 authors
·
May 11, 2023

FlowTransformer: A Transformer Framework for Flow-based Network Intrusion Detection Systems

This paper presents the FlowTransformer framework, a novel approach for implementing transformer-based Network Intrusion Detection Systems (NIDSs). FlowTransformer leverages the strengths of transformer models in identifying the long-term behaviour and characteristics of networks, which are often overlooked by most existing NIDSs. By capturing these complex patterns in network traffic, FlowTransformer offers a flexible and efficient tool for researchers and practitioners in the cybersecurity community who are seeking to implement NIDSs using transformer-based models. FlowTransformer allows the direct substitution of various transformer components, including the input encoding, transformer, classification head, and the evaluation of these across any flow-based network dataset. To demonstrate the effectiveness and efficiency of the FlowTransformer framework, we utilise it to provide an extensive evaluation of various common transformer architectures, such as GPT 2.0 and BERT, on three commonly used public NIDS benchmark datasets. We provide results for accuracy, model size and speed. A key finding of our evaluation is that the choice of classification head has the most significant impact on the model performance. Surprisingly, Global Average Pooling, which is commonly used in text classification, performs very poorly in the context of NIDS. In addition, we show that model size can be reduced by over 50\%, and inference and training times improved, with no loss of accuracy, by making specific choices of input encoding and classification head instead of other commonly used alternatives.

  • 6 authors
·
Apr 28, 2023

BiFormer: Vision Transformer with Bi-Level Routing Attention

As the core building block of vision transformers, attention is a powerful tool to capture long-range dependency. However, such power comes at a cost: it incurs a huge computation burden and heavy memory footprint as pairwise token interaction across all spatial locations is computed. A series of works attempt to alleviate this problem by introducing handcrafted and content-agnostic sparsity into attention, such as restricting the attention operation to be inside local windows, axial stripes, or dilated windows. In contrast to these approaches, we propose a novel dynamic sparse attention via bi-level routing to enable a more flexible allocation of computations with content awareness. Specifically, for a query, irrelevant key-value pairs are first filtered out at a coarse region level, and then fine-grained token-to-token attention is applied in the union of remaining candidate regions (\ie, routed regions). We provide a simple yet effective implementation of the proposed bi-level routing attention, which utilizes the sparsity to save both computation and memory while involving only GPU-friendly dense matrix multiplications. Built with the proposed bi-level routing attention, a new general vision transformer, named BiFormer, is then presented. As BiFormer attends to a small subset of relevant tokens in a query adaptive manner without distraction from other irrelevant ones, it enjoys both good performance and high computational efficiency, especially in dense prediction tasks. Empirical results across several computer vision tasks such as image classification, object detection, and semantic segmentation verify the effectiveness of our design. Code is available at https://github.com/rayleizhu/BiFormer.

  • 5 authors
·
Mar 15, 2023

Improving Contrastive Learning by Visualizing Feature Transformation

Contrastive learning, which aims at minimizing the distance between positive pairs while maximizing that of negative ones, has been widely and successfully applied in unsupervised feature learning, where the design of positive and negative (pos/neg) pairs is one of its keys. In this paper, we attempt to devise a feature-level data manipulation, differing from data augmentation, to enhance the generic contrastive self-supervised learning. To this end, we first design a visualization scheme for pos/neg score (Pos/neg score indicates cosine similarity of pos/neg pair.) distribution, which enables us to analyze, interpret and understand the learning process. To our knowledge, this is the first attempt of its kind. More importantly, leveraging this tool, we gain some significant observations, which inspire our novel Feature Transformation proposals including the extrapolation of positives. This operation creates harder positives to boost the learning because hard positives enable the model to be more view-invariant. Besides, we propose the interpolation among negatives, which provides diversified negatives and makes the model more discriminative. It is the first attempt to deal with both challenges simultaneously. Experiment results show that our proposed Feature Transformation can improve at least 6.0% accuracy on ImageNet-100 over MoCo baseline, and about 2.0% accuracy on ImageNet-1K over the MoCoV2 baseline. Transferring to the downstream tasks successfully demonstrate our model is less task-bias. Visualization tools and codes https://github.com/DTennant/CL-Visualizing-Feature-Transformation .

  • 5 authors
·
Aug 6, 2021