Daily Papers

Causal discovery aims to uncover causal structures from data and is fundamental to scientific reasoning and intervention-based decision making. Its evaluation relies heavily on structural causal models (SCMs), which specify a causal graph together with the mechanisms that generate data, yet existing studies differ substantially in graph families, mechanisms, and evaluation protocols. The emergence of causal discovery foundation models (CDFMs) further complicates evaluation: performance may reflect not only causal discovery ability, but also overlap between pretraining environments and test SCMs, making results on fixed synthetic benchmarks difficult to interpret. We introduce CausalArena, a unified and evolvable benchmark for causal discovery under a common protocol. Synthetic SCMs supply controlled breadth over structures and mechanisms; semantic operational SCMs provide human-auditable, semantically grounded environments beyond standard synthetic generators; and formula-grounded SCMs test discovery under explicit scientific mechanisms. Public real-world datasets provide an additional external-validity check. Experiments across classical, neural, and pretrained methods reveal substantial ranking shifts across SCM families and protocols, showing that strong performance in one benchmark regime does not reliably transfer to others. These results highlight benchmark diversity and pretraining--evaluation overlap as central challenges for evaluating causal discovery in the foundation model era.

Large language models (LLMs) possess broad world knowledge and strong general-purpose reasoning ability, yet they struggle to learn from many in-context examples on standard machine learning (ML) tasks, that is, to leverage many-shot demonstrations purely via in-context learning (ICL) without gradient descent. We introduce MachineLearningLM, a portable continued-pretraining framework that equips a general-purpose LLM with robust in-context ML capability while preserving its general knowledge and reasoning for broader chat workflows. Our pretraining procedure synthesizes ML tasks from millions of structural causal models (SCMs), spanning shot counts up to 1,024. We begin with a random-forest teacher, distilling tree-based decision strategies into the LLM to strengthen robustness in numerical modeling. All tasks are serialized with a token-efficient prompt, enabling 3x to 6x more examples per context window and delivering up to 50x amortized throughput via batch inference. Despite a modest setup (Qwen-2.5-7B-Instruct with LoRA rank 8), MachineLearningLM outperforms strong LLM baselines (e.g., GPT-5-mini) by an average of about 15% on out-of-distribution tabular classification across finance, physics, biology, and healthcare domains. It exhibits a striking many-shot scaling law: accuracy increases monotonically as in-context demonstrations grow from 8 to 1,024. Without any task-specific training, it attains random-forest-level accuracy across hundreds of shots. General chat capabilities, including knowledge and reasoning, are preserved: it achieves 75.4% on MMLU.

Relational Databases (RDBs) are the backbone of modern business, yet they lack foundation models comparable to those in text or vision. A key obstacle is that high-quality RDBs are private, scarce and structurally heterogeneous, making internet-scale pre-training infeasible. To overcome this data scarcity, We introduce RDB-PFN, the first relational foundation model trained purely via synthetic data. Inspired by Prior-Data Fitted Networks (PFNs) where synthetic data generated from Structural Causal Models (SCMs) enables reasoning on single tables, we design a Relational Prior Generator to create an infinite stream of diverse RDBs from scratch. Pre-training on over 2 million synthetic single-table and relational tasks, RDB-PFN learns to adapt to any new database instantly via genuine in-context learning. Experiments verify RDB-PFN achieves strong few-shot performance on 19 real-world relational prediction tasks, outperforming graph-based and single-table foundation-model baselines (given the same DFS-linearized inputs), while using a lightweight architecture and fast inference. The code is available at https://github.com/MuLabPKU/RDBPFN

Most benchmarks for causal inference over time series are observational, small, or domain-specific, leaving interventional and counterfactual estimation under-served exactly where it matters most, such as in healthcare, policy evaluation, and climate science. We introduce DoTime, an open, scalable, and theoretically grounded generator of multivariate temporal structural causal models (TSCMs) with interventions, released as the dotime PyPI package together with four frozen evaluation suites. Beyond existing work, it adds capabilities absent from prior generators: continuous-time intervention windows, counterfactual sampling modes with a positivity guard, regime-switching SCMs as a strict generalization of interrupted time series, non-stationary dynamics by construction with switching SCM parameters, and deterministic ramp and sinusoidal intervention profiles that place trends and structural breaks inside the evaluation window. Moreover, it demonstrates the suitability of the generator as a prior for a causal foundation model reference implementation. The released suites span a training-scale snapshot of 100{,}000 trajectories and eight named identification structures, each with exact ground truth: paired interventional trajectories from the same SCM throughout, and shared-noise counterfactuals in the continuous-time suite. We ship reference baseline implementations with an evaluation harness, and pose a falsifiable claim: interventional training buys a measurable direction-accuracy advantage over an observational model of identical capacity. It is tested across three training seeds per arm. Under structure-matched evaluation on held-out episodes, the interventional prior-fitted network's (PFN) gap is positive in every structure, trajectory length, and seed tested.

We introduce Xiaomi-TabLDM, a tabular large data foundation model for classification and regression via in-context learning, which delivers superior prediction accuracy without requiring task-specific fine-tuning. Pretrained exclusively on synthetic data generated from structural causal models (SCMs), our model enables more flexible context utilization and more efficient capacity scaling. i) A new performance standard. Strong regression performance across benchmarks: Xiaomi-TabLDM ranks 1st on OpenML-CTR23 and 2nd on regression across TALENT, TabArena, and BCCO, demonstrating consistently strong regression performance across four complementary benchmark suites. Favorable performance--efficiency trade-off: Xiaomi-TabLDM combines strong predictive performance with substantially lower computational cost. For example, on TabArena regression, it achieves the second-highest Elo while using 82% less training time and 68% less prediction time than the top-ranked TabFM. ii) Large-scale synthetic pretraining. Xiaomi-TabLDM expands the coverage and diversity of synthetic tabular data used for pretraining. We also adopt a three-stage training strategy together with dual-stream feature grouping, lightweight Attention Residual, and sparse Mixture-of-Experts, enabling Xiaomi-TabLDM to learn richer feature interactions and expert specialization across diverse tabular tasks. iii) Test-time scaling. Xiaomi-TabLDM further extends tabular prediction through test-time compute scaling, where allocating additional computation at inference time consistently improves predictive performance over the base model.

Causal discovery aims to recover directed causal relations from observational and interventional data, providing a basis for mechanistic understanding and reliable decision-making. Causal discovery foundation models (CDFMs) seek to amortize this problem by mapping a dataset directly to a causal graph in a single forward pass, avoiding per-dataset testing, search, or optimization. However, existing CDFMs remain limited, often failing to consistently match strong classical methods, and we find that a key bottleneck is how causal pretraining tasks are constructed. Based on this observation, we propose TabCausal, a data-driven CDFM trained with broad causal pretraining over diverse graph priors, structural mechanisms, noise models, dimensions, sample sizes, and intervention regimes. A dynamic task construction strategy composes these causal environments into varied discovery tasks, enabling more transferable structural learning from observational and mixed-interventional data. On large-scale synthetic benchmarks, TabCausal achieves better macro-averaged performance than a diverse set of causal discovery baselines. To further bridge abstract synthetic generators and realistic causal reasoning scenarios, we introduce a protocol-guided and LLM-audited semantic causal environment benchmark, where domain-grounded SCMs generate interpretable observational and interventional datasets for out-of-distribution analysis. Across both synthetic and semantic environments, TabCausal demonstrates robust structure recovery, especially under interventional evidence, highlighting broad causal pretraining as a key ingredient for transferable amortized causal discovery.

The artificial intelligence (AI) world is running out of real data for training increasingly large generative models, resulting in accelerating pressure to train on synthetic data. Unfortunately, training new generative models with synthetic data from current or past generation models creates an autophagous (self-consuming) loop that degrades the quality and/or diversity of the synthetic data in what has been termed model autophagy disorder (MAD) and model collapse. Current thinking around model autophagy recommends that synthetic data is to be avoided for model training lest the system deteriorate into MADness. In this paper, we take a different tack that treats synthetic data differently from real data. Self-IMproving diffusion models with Synthetic data (SIMS) is a new training concept for diffusion models that uses self-synthesized data to provide negative guidance during the generation process to steer a model's generative process away from the non-ideal synthetic data manifold and towards the real data distribution. We demonstrate that SIMS is capable of self-improvement; it establishes new records based on the Fr\'echet inception distance (FID) metric for CIFAR-10 and ImageNet-64 generation and achieves competitive results on FFHQ-64 and ImageNet-512. Moreover, SIMS is, to the best of our knowledge, the first prophylactic generative AI algorithm that can be iteratively trained on self-generated synthetic data without going MAD. As a bonus, SIMS can adjust a diffusion model's synthetic data distribution to match any desired in-domain target distribution to help mitigate biases and ensure fairness.

With the advent of AI agents, automatic scientific discovery has become a tenable goal. Many recent works scaffold agentic systems that can perform machine learning research, but don't offer a principled way to train such agents -- and current LLMs often generate plausible-looking but ineffective ideas. To make progress on training agents that can learn from doing, we provide a novel synthetic environment generation pipeline targeting machine learning agents. Our pipeline automatically synthesizes machine learning challenges compatible with the SWE-agent framework, covering topic sampling, dataset proposal, and code generation. The resulting synthetic tasks are 1) grounded in real machine learning datasets, because the proposed datasets are verified against the Huggingface API and are 2) verified for higher quality with a self-debugging loop. To validate the effectiveness of our synthetic tasks, we tackle MLGym, a benchmark for machine learning tasks. From the synthetic tasks, we sample trajectories from a teacher model (GPT-5), then use the trajectories to train a student model (Qwen3-4B and Qwen3-8B). The student models trained with our synthetic tasks achieve improved performance on MLGym, raising the AUP metric by 9% for Qwen3-4B and 12% for Qwen3-8B.

The DARPA Transfer from Imprecise and Abstract Models to Autonomous Technologies (TIAMAT) program aims to address rapid and robust transfer of autonomy technologies across dynamic and complex environments, goals, and platforms. Existing methods for simulation-to-reality (sim-to-real) transfer often rely on high-fidelity simulations and struggle with broad adaptation, particularly in time-sensitive scenarios. Although many approaches have shown incredible performance at specific tasks, most techniques fall short when posed with unforeseen, complex, and dynamic real-world scenarios due to the inherent limitations of simulation. In contrast to current research that aims to bridge the gap between simulation environments and the real world through increasingly sophisticated simulations and a combination of methods typically assuming a small sim-to-real gap -- such as domain randomization, domain adaptation, imitation learning, meta-learning, policy distillation, and dynamic optimization -- TIAMAT takes a different approach by instead emphasizing transfer and adaptation of the autonomy stack directly to real-world environments by utilizing a breadth of low(er)-fidelity simulations to create broadly effective sim-to-real transfers. By abstractly learning from multiple simulation environments in reference to their shared semantics, TIAMAT's approaches aim to achieve abstract-to-real transfer for effective and rapid real-world adaptation. Furthermore, this program endeavors to improve the overall autonomy pipeline by addressing the inherent challenges in translating simulated behaviors into effective real-world performance.

Printed Circuit Board (PCB) schematic design plays an essential role in all areas of electronic industries. Unlike prior works that focus on digital or analog circuits alone, PCB design must handle heterogeneous digital, analog, and power signals while adhering to real-world IC packages and pin constraints. Automated PCB schematic design remains unexplored due to the scarcity of open-source data and the absence of simulation-based verification. We introduce PCBSchemaGen, the first training-free framework for PCB schematic design that comprises LLM agent and Constraint-guided synthesis. Our approach makes three contributions: 1. an LLM-based code generation paradigm with iterative feedback with domain-specific prompts. 2. a verification framework leveraging a real-world IC datasheet derived Knowledge Graph (KG) and Subgraph Isomorphism encoding pin-role semantics and topological constraints. 3. an extensive experiment on 23 PCB schematic tasks spanning digital, analog, and power domains. Results demonstrate that PCBSchemaGen significantly improves design accuracy and computational efficiency.

The development of robust and generalizable robot learning models is critically contingent upon the availability of large-scale, diverse training data and reliable evaluation benchmarks. Collecting data in the physical world poses prohibitive costs and scalability challenges, and prevailing simulation benchmarks frequently suffer from fragmentation, narrow scope, or insufficient fidelity to enable effective sim-to-real transfer. To address these challenges, we introduce Genie Sim 3.0, a unified simulation platform for robotic manipulation. We present Genie Sim Generator, a large language model (LLM)-powered tool that constructs high-fidelity scenes from natural language instructions. Its principal strength resides in rapid and multi-dimensional generalization, facilitating the synthesis of diverse environments to support scalable data collection and robust policy evaluation. We introduce the first benchmark that pioneers the application of LLM for automated evaluation. It leverages LLM to mass-generate evaluation scenarios and employs Vision-Language Model (VLM) to establish an automated assessment pipeline. We also release an open-source dataset comprising more than 10,000 hours of synthetic data across over 200 tasks. Through systematic experimentation, we validate the robust zero-shot sim-to-real transfer capability of our open-source dataset, demonstrating that synthetic data can server as an effective substitute for real-world data under controlled conditions for scalable policy training. For code and dataset details, please refer to: https://github.com/AgibotTech/genie_sim.

Using LLMs to give educational feedback to students for their assignments has attracted much attention in the AI in Education field. Yet, there is currently no large-scale open-source dataset of student assignments that includes detailed assignment descriptions, rubrics, and student submissions across various courses. As a result, research on generalisable methodology for automatic generation of effective and responsible educational feedback remains limited. In the current study, we constructed a large-scale dataset of Synthetic Computer science Assignments for LLM-generated Educational Feedback research (SCALEFeedback). We proposed a Sophisticated Assignment Mimicry (SAM) framework to generate the synthetic dataset by one-to-one LLM-based imitation from real assignment descriptions, student submissions to produce their synthetic versions. Our open-source dataset contains 10,000 synthetic student submissions spanning 155 assignments across 59 university-level computer science courses. Our synthetic submissions achieved BERTScore F1 0.84, PCC of 0.62 for assignment marks and 0.85 for length, compared to the corresponding real-world assignment dataset, while ensuring perfect protection of student private information. All these results of our SAM framework outperformed results of a naive mimicry method baseline. The LLM-generated feedback for our synthetic assignments demonstrated the same level of effectiveness compared to that of real-world assignment dataset. Our research showed that one-to-one LLM imitation is a promising method for generating open-source synthetic educational datasets that preserve the original dataset's semantic meaning and student data distribution, while protecting student privacy and institutional copyright. SCALEFeedback enhances our ability to develop LLM-based generalisable methods for offering high-quality, automated educational feedback in a scalable way.

We introduce a simple and intuitive self-supervision task, Natural Synthetic Anomalies (NSA), for training an end-to-end model for anomaly detection and localization using only normal training data. NSA integrates Poisson image editing to seamlessly blend scaled patches of various sizes from separate images. This creates a wide range of synthetic anomalies which are more similar to natural sub-image irregularities than previous data-augmentation strategies for self-supervised anomaly detection. We evaluate the proposed method using natural and medical images. Our experiments with the MVTec AD dataset show that a model trained to localize NSA anomalies generalizes well to detecting real-world a priori unknown types of manufacturing defects. Our method achieves an overall detection AUROC of 97.2 outperforming all previous methods that learn without the use of additional datasets. Code available at https://github.com/hmsch/natural-synthetic-anomalies.

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

Competitive programming presents great challenges for Code LLMs due to its intensive reasoning demands and high logical complexity. However, current Code LLMs still rely heavily on real-world data, which limits their scalability. In this paper, we explore a fully synthetic approach: training Code LLMs with entirely generated tasks, solutions, and test cases, to empower code reasoning models without relying on real-world data. To support this, we leverage feature-based synthesis to propose a novel data synthesis pipeline called SynthSmith. SynthSmith shows strong potential in producing diverse and challenging tasks, along with verified solutions and tests, supporting both supervised fine-tuning and reinforcement learning. Based on the proposed synthetic SFT and RL datasets, we introduce the X-Coder model series, which achieves a notable pass rate of 62.9 avg@8 on LiveCodeBench v5 and 55.8 on v6, outperforming DeepCoder-14B-Preview and AReal-boba2-14B despite having only 7B parameters. In-depth analysis reveals that scaling laws hold on our synthetic dataset, and we explore which dimensions are more effective to scale. We further provide insights into code-centric reinforcement learning and highlight the key factors that shape performance through detailed ablations and analysis. Our findings demonstrate that scaling high-quality synthetic data and adopting staged training can greatly advance code reasoning, while mitigating reliance on real-world coding data.

Access to real-world medical data is often restricted due to privacy regulations, posing a significant barrier to the advancement of healthcare research. Synthetic data offers a promising alternative; however, generating realistic, clinically valid, and privacy-conscious records remains a major challenge. Recent advancements in Large Language Models (LLMs) offer new opportunities for structured data generation; however, existing approaches frequently lack systematic prompting strategies and comprehensive, multi-dimensional evaluation frameworks. In this paper, we present SynLLM, a modular framework for generating high-quality synthetic medical tabular data using 20 state-of-the-art open-source LLMs, including LLaMA, Mistral, and GPT variants, guided by structured prompts. We propose four distinct prompt types, ranging from example-driven to rule-based constraints, that encode schema, metadata, and domain knowledge to control generation without model fine-tuning. Our framework features a comprehensive evaluation pipeline that rigorously assesses generated data across statistical fidelity, clinical consistency, and privacy preservation. We evaluate SynLLM across three public medical datasets, including Diabetes, Cirrhosis, and Stroke, using 20 open-source LLMs. Our results show that prompt engineering significantly impacts data quality and privacy risk, with rule-based prompts achieving the best privacy-quality balance. SynLLM establishes that, when guided by well-designed prompts and evaluated with robust, multi-metric criteria, LLMs can generate synthetic medical data that is both clinically plausible and privacy-aware, paving the way for safer and more effective data sharing in healthcare research.

Realistic long-horizon productivity work is strongly conditioned on user-specific computer environments, where much of the work context is stored and organized through directory structures and content-rich artifacts. To scale synthetic data creation for such productivity scenarios, we introduce Synthetic Computers at Scale, a scalable methodology for creating such environments with realistic folder hierarchies and content-rich artifacts (e.g., documents, spreadsheets, and presentations). Conditioned on each synthetic computer, we run long-horizon simulations: one agent creates productivity objectives that are specific to the computer's user and require multiple professional deliverables and about a month of human work; another agent then acts as that user and keeps working across the computer -- for example, navigating the filesystem for grounding, coordinating with simulated collaborators, and producing professional artifacts -- until these objectives are completed. In preliminary experiments, we create 1,000 synthetic computers and run long-horizon simulations on them; each run requires over 8 hours of agent runtime and spans more than 2,000 turns on average. These simulations produce rich experiential learning signals, whose effectiveness is validated by significant improvements in agent performance on both in-domain and out-of-domain productivity evaluations. Given that personas are abundant at billion scale, this methodology can in principle scale to millions or even billions of synthetic user worlds with sufficient compute, enabling broader coverage of diverse professions, roles, contexts, environments, and productivity needs. We argue that scalable synthetic computer creation, together with at-scale simulations, is highly promising as a foundational substrate for agent self-improvement and agentic reinforcement learning in long-horizon productivity scenarios.

The success of AI models relies on the availability of large, diverse, and high-quality datasets, which can be challenging to obtain due to data scarcity, privacy concerns, and high costs. Synthetic data has emerged as a promising solution by generating artificial data that mimics real-world patterns. This paper provides an overview of synthetic data research, discussing its applications, challenges, and future directions. We present empirical evidence from prior art to demonstrate its effectiveness and highlight the importance of ensuring its factuality, fidelity, and unbiasedness. We emphasize the need for responsible use of synthetic data to build more powerful, inclusive, and trustworthy language models.

This paper reinterprets the Synthetic Control (SC) framework through the lens of weighting philosophy, arguing that the contrast between traditional SC and Difference-in-Differences (DID) reflects two distinct modeling mindsets: sparse versus dense weighting schemes. Rather than viewing sparsity as inherently superior, we treat it as a modeling choice simple but potentially fragile. We propose an L-infinity-regularized SC method that combines the strengths of both approaches. Like DID, it employs a denser weighting scheme that distributes weights more evenly across control units, enhancing robustness and reducing overreliance on a few control units. Like traditional SC, it remains flexible and data-driven, increasing the likelihood of satisfying the parallel trends assumption while preserving interpretability. We develop an interior point algorithm for efficient computation, derive asymptotic theory under weak dependence, and demonstrate strong finite-sample performance through simulations and real-world applications.

Synthetic data is emerging as one of the most promising solutions to share individual-level data while safeguarding privacy. While membership inference attacks (MIAs), based on shadow modeling, have become the standard to evaluate the privacy of synthetic data, they currently assume the attacker to have access to an auxiliary dataset sampled from a similar distribution as the training dataset. This is often seen as a very strong assumption in practice, especially as the proposed main use cases for synthetic tabular data (e.g. medical data, financial transactions) are very specific and don't have any reference datasets directly available. We here show how this assumption can be removed, allowing for MIAs to be performed using only the synthetic data. Specifically, we developed three different scenarios: (S1) Black-box access to the generator, (S2) only access to the released synthetic dataset and (S3) a theoretical setup as upper bound for the attack performance using only synthetic data. Our results show that MIAs are still successful, across two real-world datasets and two synthetic data generators. These results show how the strong hypothesis made when auditing synthetic data releases - access to an auxiliary dataset - can be relaxed, making the attacks more realistic in practice.

Synthetic data has become increasingly important for training large language models, especially when real data is scarce, expensive, or privacy-sensitive. Many such generation tasks require coordinated multi-agent workflows, where specialized agents collaborate to produce data that is higher quality, more diverse, and structurally richer. However, existing frameworks for multi-agent synthesis often depend on a centralized orchestrator, creating scalability bottlenecks, or are hardcoded for specific domains, limiting flexibility. We present Matrix, a decentralized framework that represents both control and data flow as serialized messages passed through distributed queues. This peer-to-peer design eliminates the central orchestrator. Each task progresses independently through lightweight agents, while compute-intensive operations, such as LLM inference or containerized environments, are handled by distributed services. Built on Ray, Matrix scales to tens of thousands of concurrent agentic workflows and provides a modular, configurable design that enables easy adaptation to a wide range of data generation workflows. We evaluate Matrix across diverse synthesis scenarios, such as multi-agent collaborative dialogue, web-based reasoning data extraction, and tool-use trajectory generation in customer service environments. In all cases, Matrix achieves 2--15times higher data generation throughput under identical hardware resources, without compromising output quality.

Training LLMs to invoke tools and leverage retrieved information necessitates high-quality, diverse data. However, existing pipelines for synthetic data generation often rely on tens of thousands of real API calls to enhance generalization, incurring prohibitive costs while lacking multi-hop reasoning and self-reflection. To address these limitations, we introduce ToolForge, an automated synthesis framework that achieves strong real-world tool-calling performance by constructing only a small number of virtual tools, eliminating the need for real API calls. ToolForge leverages a (question, golden context, answer) triple to synthesize large-scale tool-learning data specifically designed for multi-hop search scenarios, further enriching the generated data through multi-hop reasoning and self-reflection mechanisms. To ensure data fidelity, we employ a Multi-Layer Validation Framework that integrates both rule-based and model-based assessments. Empirical results show that a model with only 8B parameters, when trained on our synthesized data, outperforms GPT-4o on multiple benchmarks. Our code and dataset are publicly available at https://github.com/Buycar-arb/ToolForge .

Evaluating retrieval-augmented generation (RAG) pipelines requires corpora where ground truth is knowable, temporally structured, and cross-artifact properties that real-world datasets rarely provide cleanly. Existing resources such as the Enron corpus carry legal ambiguity, demographic skew, and no structured ground truth. Purely LLM-generated synthetic data solves the legal problem but introduces a subtler one: the generating model cannot be prevented from hallucinating facts that contradict themselves across documents.We present OrgForge, an open-source multi-agent simulation framework that enforces a strict physics-cognition boundary: a deterministic Python engine maintains a SimEvent ground truth bus; large language models generate only surface prose, constrained by validated proposals. An actor-local clock enforces causal timestamp correctness across all artifact types, eliminating the class of timeline inconsistencies that arise when timestamps are sampled independently per document. We formalize three graph-dynamic subsystems stress propagation via betweenness centrality, temporal edge-weight decay, and Dijkstra escalation routing that govern organizational behavior independently of any LLM. Running a configurable N-day simulation, OrgForge produces interleaved Slack threads, JIRA tickets, Confluence pages, Git pull requests, and emails, all traceable to a shared, immutable event log. We additionally describe a causal chain tracking subsystem that accumulates cross-artifact evidence graphs per incident, a hybrid reciprocal-rank-fusion recurrence detector for identifying repeated failure classes, and an inbound/outbound email engine that routes vendor alerts, customer complaints, and HR correspondence through gated causal chains with probabilistic drop simulation. OrgForge is available under the MIT license.

Printed circuit board (PCB) schematic design defines nearly all electronic hardware, but it remains manual and expertise-intensive. While generative AI has advanced digital and analog IC design, PCB schematic generation from natural-language intent is largely unexplored. This paper presents SchGen, the first large language model that generates editable PCB schematics from natural-language requests. The key challenge lies in the lack of an LLM-suited representation and a large-scale dataset. Current schematic formats are dominated by verbose, tool-specific syntax and geometry-heavy descriptions, making them difficult to generate reliably. We introduce a semantically grounded code representation that encodes schematic editing primitives with relative placement and pin-name-based wiring, transforming a geometry-driven generation problem into a semantics-driven matching task amenable to LLMs. We further construct a large-scale dataset of PCB schematics paired with user prompts via a human-agent collaborative pipeline that converts open-source hardware designs into our representation. Experiments show that SchGen significantly outperforms alternative representations and even larger general-purpose LLMs on wire connectivity accuracy and functional correctness. Our results highlight the critical role of representation design in enabling generative models for complex hardware design tasks.

Robotic manipulation with deformable objects represents a data-intensive regime in embodied learning, where shape, contact, and topology co-evolve in ways that far exceed the variability of rigids. Although simulation promises relief from the cost of real-world data acquisition, prevailing sim-to-real pipelines remain rooted in rigid-body abstractions, producing mismatched geometry, fragile soft dynamics, and motion primitives poorly suited for cloth interaction. We posit that simulation fails not for being synthetic, but for being ungrounded. To address this, we introduce SIM1, a physics-aligned real-to-sim-to-real data engine that grounds simulation in the physical world. Given limited demonstrations, the system digitizes scenes into metric-consistent twins, calibrates deformable dynamics through elastic modeling, and expands behaviors via diffusion-based trajectory generation with quality filtering. This pipeline transforms sparse observations into scaled synthetic supervision with near-demonstration fidelity. Experiments show that policies trained on purely synthetic data achieve parity with real-data baselines at a 1:15 equivalence ratio, while delivering 90% zero-shot success and 50% generalization gains in real-world deployment. These results validate physics-aligned simulation as scalable supervision for deformable manipulation and a practical pathway for data-efficient policy learning.

Large language models (LLMs) have unlocked new possibilities for generating synthetic training data in both natural language and code. By producing artificial but task-relevant examples, these models can significantly augment or even replace real-world datasets, especially when labeled data is scarce or sensitive. This paper surveys recent advances in using LLMs to create synthetic text and code, emphasizing prompt-based generation, retrieval-augmented pipelines, and iterative self-refinement. We show how these methods enrich low-resource tasks such as classification and question answering, as well as code-centric applications such as instruction tuning, code translation, and bug repair, by enabling automated verification of functional correctness. Alongside potential benefits like cost-effectiveness, broad coverage, and controllable diversity, we address challenges such as factual inaccuracies in generated text, lack of stylistic realism, and the risk of bias amplification. Proposed mitigations include filtering and weighting outputs and reinforcement learning with execution feedback for code. We conclude with open research directions like automated prompt engineering, cross-modal data synthesis, and robust evaluation frameworks, highlighting the importance of LLM-generated synthetic data in advancing AI while emphasizing ethical and quality safeguards.

Real-to-sim conversion for robotic interaction with objects remains labor-intensive because it requires more than visual reconstruction: a streamlined real2sim process must recover scene geometries and object states, infer physical parameters, and assemble actors, objects, cameras, poses, and trajectories into a runnable physical simulation. Today this process still depends on manual tuning of visual foundation models, mesh cleanup, coordinate-frame alignment, and brittle workflow glue across visual perception tools and simulators. We introduce Agentic Real2Sim, a framework for generalized physical world modeling with vision-language agents, converting a real-world recording of object-robot interaction into a simulatable episodic twin which preserves observations, geometries, robot interactions, and object states. We evaluate Agentic Real2Sim on rigid-object manipulation, deformable-object interaction, and humanoid motion scenes, spanning domains that are usually handled by separate Real2Sim pipelines, marking a first step toward scalable conversion. The framework's agentic decisions can be driven by an open-weight VLM backend at a small fraction of the cost of frontier models, while attaining comparable conversion success rate. We aim to use the resulting real-world-aligned twins for downstream robotics tasks, specifically policy learning and evaluation. The project site is available at https://agentic-real2sim.github.io/.

Synthetic data has been proposed as a solution to address the issue of high-quality data scarcity in the training of large language models (LLMs). Studies have shown that synthetic data can effectively improve the performance of LLMs on downstream benchmarks. However, despite its potential benefits, our analysis suggests that there may be inherent flaws in synthetic data. The uniform format of synthetic data can lead to pattern overfitting and cause significant shifts in the output distribution, thereby reducing the model's instruction-following capabilities. Our work delves into these specific flaws associated with question-answer (Q-A) pairs, a prevalent type of synthetic data, and presents a method based on unlearning techniques to mitigate these flaws. The empirical results demonstrate the effectiveness of our approach, which can reverse the instruction-following issues caused by pattern overfitting without compromising performance on benchmarks at relatively low cost. Our work has yielded key insights into the effective use of synthetic data, aiming to promote more robust and efficient LLM training.

In the domain of model-based engineering, models are essential components that enable system design and analysis. Traditionally, the creation of these models has been a manual process requiring not only deep modeling expertise but also substantial domain knowledge of target systems. With the rapid advancement of generative artificial intelligence, large language models (LLMs) show potential for automating model generation. This work explores the generation of instance models using LLMs, focusing specifically on producing XMI-based instance models from Ecore metamodels and natural language specifications. We observe that current LLMs struggle to directly generate valid XMI models. To address this, we propose a two-step approach: first, using LLMs to produce a simplified structured output containing all necessary instance model information, namely a conceptual instance model, and then compiling this intermediate representation into a valid XMI file. The conceptual instance model is format-independent, allowing it to be transformed into various modeling formats via different compilers. The feasibility of the proposed method has been demonstrated using several LLMs, including GPT-4o, o1-preview, Llama 3.1 (8B and 70B). Results show that the proposed method significantly improves the usability of LLMs for instance model generation tasks. Notably, the smaller open-source model, Llama 3.1 70B, demonstrated performance comparable to proprietary GPT models within the proposed framework.

Large Language Models (LLMs) have demonstrated remarkable multilingual capabilities, making them promising tools in both high- and low-resource languages. One particularly valuable use case is generating synthetic samples that can be used to train smaller models in low-resource scenarios where human-labelled data is scarce. In this work, we investigate whether these synthetic data generation capabilities can serve as a form of distillation, producing smaller models that perform on par with or even better than massive LLMs across languages and tasks. To this end, we use a state-of-the-art multilingual LLM to generate synthetic datasets covering 11 languages and 4 classification tasks. These datasets are then used to train smaller models via fine-tuning or instruction tuning, or as synthetic in-context examples for compact LLMs. Our experiments show that even small amounts of synthetic data enable smaller models to outperform the large generator itself, particularly in low-resource languages. Overall, the results suggest that LLMs are best utilised as generators (teachers) rather than classifiers, producing data that empowers smaller and more efficient multilingual models.

Conformal prediction is a framework for predictive inference with a distribution-free, finite-sample guarantee. However, it tends to provide uninformative prediction sets when calibration data are scarce. This paper introduces Synthetic-powered predictive inference (SPI), a novel framework that incorporates synthetic data -- e.g., from a generative model -- to improve sample efficiency. At the core of our method is a score transporter: an empirical quantile mapping that aligns nonconformity scores from trusted, real data with those from synthetic data. By carefully integrating the score transporter into the calibration process, SPI provably achieves finite-sample coverage guarantees without making any assumptions about the real and synthetic data distributions. When the score distributions are well aligned, SPI yields substantially tighter and more informative prediction sets than standard conformal prediction. Experiments on image classification -- augmenting data with synthetic diffusion-model generated images -- and on tabular regression demonstrate notable improvements in predictive efficiency in data-scarce settings.

Synthetic data generation is an important application of machine learning in the field of medical imaging. While existing approaches have successfully applied fine-tuned diffusion models for synthesizing medical images, we explore potential improvements to this pipeline through feature-aligned diffusion. Our approach aligns intermediate features of the diffusion model to the output features of an expert, and our preliminary findings show an improvement of 9% in generation accuracy and ~0.12 in SSIM diversity. Our approach is also synergistic with existing methods, and easily integrated into diffusion training pipelines for improvements. We make our code available at https://github.com/lnairGT/Feature-Aligned-Diffusion.

The development of deep learning architectures is a resource-demanding process, due to a vast design space, long prototyping times, and high compute costs associated with at-scale model training and evaluation. We set out to simplify this process by grounding it in an end-to-end mechanistic architecture design (MAD) pipeline, encompassing small-scale capability unit tests predictive of scaling laws. Through a suite of synthetic token manipulation tasks such as compression and recall, designed to probe capabilities, we identify and test new hybrid architectures constructed from a variety of computational primitives. We experimentally validate the resulting architectures via an extensive compute-optimal and a new state-optimal scaling law analysis, training over 500 language models between 70M to 7B parameters. Surprisingly, we find MAD synthetics to correlate with compute-optimal perplexity, enabling accurate evaluation of new architectures via isolated proxy tasks. The new architectures found via MAD, based on simple ideas such as hybridization and sparsity, outperform state-of-the-art Transformer, convolutional, and recurrent architectures (Transformer++, Hyena, Mamba) in scaling, both at compute-optimal budgets and in overtrained regimes. Overall, these results provide evidence that performance on curated synthetic tasks can be predictive of scaling laws, and that an optimal architecture should leverage specialized layers via a hybrid topology.

Within the evolving landscape of deep learning, the dilemma of data quantity and quality has been a long-standing problem. The recent advent of Large Language Models (LLMs) offers a data-centric solution to alleviate the limitations of real-world data with synthetic data generation. However, current investigations into this field lack a unified framework and mostly stay on the surface. Therefore, this paper provides an organization of relevant studies based on a generic workflow of synthetic data generation. By doing so, we highlight the gaps within existing research and outline prospective avenues for future study. This work aims to shepherd the academic and industrial communities towards deeper, more methodical inquiries into the capabilities and applications of LLMs-driven synthetic data generation.

Semantic image synthesis (SIS) shows good promises for sensor simulation. However, current best practices in this field, based on GANs, have not yet reached the desired level of quality. As latent diffusion models make significant strides in image generation, we are prompted to evaluate ControlNet, a notable method for its dense control capabilities. Our investigation uncovered two primary issues with its results: the presence of weird sub-structures within large semantic areas and the misalignment of content with the semantic mask. Through empirical study, we pinpointed the cause of these problems as a mismatch between the noised training data distribution and the standard normal prior applied at the inference stage. To address this challenge, we developed specific noise priors for SIS, encompassing spatial, categorical, and a novel spatial-categorical joint prior for inference. This approach, which we have named SCP-Diff, has set new state-of-the-art results in SIS on Cityscapes, ADE20K and COCO-Stuff, yielding a FID as low as 10.53 on Cityscapes. The code and models can be accessed via the project page.

LLM-driven software engineering agents have become a central testbed for real-world language-model capability, yet their training remains limited by the availability of high-quality SWE tasks. Existing synthetic data methods typically create tasks through fixed mutation or bug-injection procedures, making the resulting distributions largely independent of the agent's own weaknesses and training progress. We introduce Socratic-SWE, a closed-loop self-evolution framework that reuses the agent's historical solving traces as a source of training signal. Rather than treating traces only as evidence for reward computation, Socratic-SWE distills them into structured agent skills that summarize recurring failures and effective repair patterns. These skills then guide the generation of targeted repair tasks in real repositories. Candidate tasks are checked through execution-based validation and scored with a solver-gradient alignment reward, so that the retained tasks are both verifiable and useful for improving the Solver. The updated Solver produces new traces, enabling the task curriculum to adapt over successive rounds. Across SWE-bench Verified, SWE-bench Lite, SWE-bench Pro, and Terminal-Bench 2.0, Socratic-SWE consistently improves over self-evolving baselines under the same compute budget, reaching 50.40% on SWE-bench Verified after three iterations. These results suggest that solving traces can serve as a scalable substrate for self-evolving SWE agents.

Generative models aim to simulate realistic effects of various actions across different contexts, from text generation to visual effects. Despite significant efforts to build real-world simulators, the application of generative models to virtual worlds, like financial markets, remains under-explored. In financial markets, generative models can simulate complex market effects of participants with various behaviors, enabling interaction under different market conditions, and training strategies without financial risk. This simulation relies on the finest structured data in financial market like orders thus building the finest realistic simulation. We propose Large Market Model (LMM), an order-level generative foundation model, for financial market simulation, akin to language modeling in the digital world. Our financial Market Simulation engine (MarS), powered by LMM, addresses the domain-specific need for realistic, interactive and controllable order generation. Key observations include LMM's strong scalability across data size and model complexity, and MarS's robust and practicable realism in controlled generation with market impact. We showcase MarS as a forecast tool, detection system, analysis platform, and agent training environment, thus demonstrating MarS's "paradigm shift" potential for a variety of financial applications. We release the code of MarS at https://github.com/microsoft/MarS/.

Small LLMs often struggle to match the agentic capabilities of large, costly models. While reinforcement learning can help, progress has been limited by two structural bottlenecks: existing open-source agentic training data are narrow in task variety and easily solved; real-world APIs lack diversity and are unstable for large-scale reinforcement learning rollout processes. We address these challenges with SYNTHAGENT, a framework that jointly synthesizes diverse tool-use training data and simulates complete environments. Specifically, a strong teacher model creates novel tasks and tool ecosystems, then rewrites them into intentionally underspecified instructions. This compels agents to actively query users for missing details. When handling synthetic tasks, an LLM-based user simulator provides user-private information, while a mock tool system delivers stable tool responses. For rewards, task-level rubrics are constructed based on required subgoals, user-agent interactions, and forbidden behaviors. Across 14 challenging datasets in math, search, and tool use, models trained on our synthetic data achieve substantial gains, with small models outperforming larger baselines.

Large-scale Language Models (LLMs) are constrained by their inability to process lengthy inputs. To address this limitation, we propose the Self-Controlled Memory (SCM) system to unleash infinite-length input capacity for large-scale language models. Our SCM system is composed of three key modules: the language model agent, the memory stream, and the memory controller. The language model agent iteratively processes ultra-long inputs and stores all historical information in the memory stream. The memory controller provides the agent with both long-term memory (archived memory) and short-term memory (flash memory) to generate precise and coherent responses. The controller determines which memories from archived memory should be activated and how to incorporate them into the model input. Our SCM system can be integrated with any LLMs to enable them to process ultra-long texts without any modification or fine-tuning. Experimental results show that our SCM system enables LLMs, which are not optimized for multi-turn dialogue, to achieve multi-turn dialogue capabilities that are comparable to ChatGPT, and to outperform ChatGPT in scenarios involving ultra-long document summarization or long-term conversations. Additionally, we will supply a test set, which covers common long-text input scenarios, for evaluating the abilities of LLMs in processing long documents.~Working in progress.\url{https://github.com/wbbeyourself/SCM4LLMs}

The performance of LLM-based agents is jointly shaped by their base models and the harnesses that mediate their interaction with the environment. Because different models exhibit distinct behaviors, effective harness design is inherently model-specific. Yet agent harnesses are still largely engineered by human experts, a paradigm that scales poorly as modern LLMs become increasingly diverse and rapidly evolving. In this paper, we introduce Self-Harness, a new paradigm in which an LLM-based agent improves its own operating harness, without relying on human engineers or stronger external agents. We operationalize Self-Harness as an iterative loop with three stages: Weakness Mining, which identifies model-specific failure patterns from execution traces; Harness Proposal, which generates diverse yet minimal harness modifications tied to these failures; and Proposal Validation, which accepts candidate edits only after regression testing. We instantiate Self-Harness on Terminal-Bench-2.0 using a minimal initial harness and three base models from diverse families: MiniMax M2.5, Qwen3.5-35B-A3B, and GLM-5. Across all three models, Self-Harness consistently improves performance, with held-out pass rates increasing from 40.5% to 61.9%, 23.8% to 38.1%, and 42.9% to 57.1%, respectively. Qualitative analyses further show that Self-Harness does not simply add generic instructions, but effectively turns model-specific weaknesses into concrete, executable harness changes. These results suggest a path toward LLM-based agents that are not merely shaped by their harnesses, but can also participate in reshaping them.

LLMs can now act as autonomous agents that interact with digital environments and complete specific objectives (e.g., arranging an online meeting). However, accuracy is still far from satisfactory, partly due to a lack of large-scale, direct demonstrations for digital tasks. Obtaining supervised data from humans is costly, and automatic data collection through exploration or reinforcement learning relies on complex environmental and content setup, resulting in datasets that lack comprehensive coverage of various scenarios. On the other hand, there is abundant knowledge that may indirectly assist task completion, such as online tutorials that were created for human consumption. In this work, we present Synatra, an approach that effectively transforms this indirect knowledge into direct supervision at scale. We define different types of indirect knowledge, and carefully study the available sources to obtain it, methods to encode the structure of direct demonstrations, and finally methods to transform indirect knowledge into direct demonstrations. We use 100k such synthetically-created demonstrations to finetune a 7B CodeLlama, and demonstrate that the resulting agent surpasses all comparably sized models on three web-based task benchmarks Mind2Web, MiniWoB++ and WebArena, as well as surpassing GPT-3.5 on WebArena and Mind2Web. In addition, while synthetic demonstrations prove to be only 3% the cost of human demonstrations (at $0.031 each), we show that the synthetic demonstrations can be more effective than an identical number of human demonstrations collected from limited domains.

Training API-calling large language model (LLM) agents demands massive amounts of high-quality trajectories. However, collecting such data at scale typically requires fully implemented environments with executable APIs and realistic, pre-populated backend databases, creating a major bottleneck for scalability. To overcome this, we propose an environment-free synthetic data generation approach that leverages LLMs as on-the-fly digital world models. Given only API specifications, our method generates trajectories mimicking interactions between an agent and a stateful environment. Specifically, an LLM first generates diverse tasks solvable with the provided APIs. A teacher agent then iteratively solves each task while an LLM simulator generates coherent synthetic API responses conditioned on the task context and simulation history. Finally, an LLM judge filters the trajectories to ensure the quality of the resulting dataset. We evaluate our approach on the challenging AppWorld and OfficeBench benchmarks, which include both information-retrieval and state-changing tasks. Fine-tuning models on our synthetic data yields significant performance gains, demonstrating that effective supervision for API-calling agents can be generated without any executable environment. Our results establish LLM-based API simulation as a practical, scalable solution for training agents across diverse API ecosystems.

We introduce SynFormer, a generative modeling framework designed to efficiently explore and navigate synthesizable chemical space. Unlike traditional molecular generation approaches, we generate synthetic pathways for molecules to ensure that designs are synthetically tractable. By incorporating a scalable transformer architecture and a diffusion module for building block selection, SynFormer surpasses existing models in synthesizable molecular design. We demonstrate SynFormer's effectiveness in two key applications: (1) local chemical space exploration, where the model generates synthesizable analogs of a reference molecule, and (2) global chemical space exploration, where the model aims to identify optimal molecules according to a black-box property prediction oracle. Additionally, we demonstrate the scalability of our approach via the improvement in performance as more computational resources become available. With our code and trained models openly available, we hope that SynFormer will find use across applications in drug discovery and materials science.

Data scaling and standardized evaluation benchmarks have driven significant advances in natural language processing and computer vision. However, robotics faces unique challenges in scaling data and establishing evaluation protocols. Collecting real-world data is resource-intensive and inefficient, while benchmarking in real-world scenarios remains highly complex. Synthetic data and simulation offer promising alternatives, yet existing efforts often fall short in data quality, diversity, and benchmark standardization. To address these challenges, we introduce RoboVerse, a comprehensive framework comprising a simulation platform, a synthetic dataset, and unified benchmarks. Our simulation platform supports multiple simulators and robotic embodiments, enabling seamless transitions between different environments. The synthetic dataset, featuring high-fidelity physics and photorealistic rendering, is constructed through multiple approaches. Additionally, we propose unified benchmarks for imitation learning and reinforcement learning, enabling evaluation across different levels of generalization. At the core of the simulation platform is MetaSim, an infrastructure that abstracts diverse simulation environments into a universal interface. It restructures existing simulation environments into a simulator-agnostic configuration system, as well as an API aligning different simulator functionalities, such as launching simulation environments, loading assets with initial states, stepping the physics engine, etc. This abstraction ensures interoperability and extensibility. Comprehensive experiments demonstrate that RoboVerse enhances the performance of imitation learning, reinforcement learning, world model learning, and sim-to-real transfer. These results validate the reliability of our dataset and benchmarks, establishing RoboVerse as a robust solution for advancing robot learning.

Reinforcement learning (RL) is a powerful way to adapt foundation models to specialized tasks, but its reliance on large-scale human-labeled data limits broad adoption. We introduce Synthetic Data RL, a simple and general framework that reinforcement fine-tunes models using only synthetic data generated from a task definition. Our method first generates question and answer pairs from the task definition and retrieved documents, then adapts the difficulty of the question based on model solvability, and selects questions using the average pass rate of the model across samples for RL training. On Qwen-2.5-7B, our method achieves a 29.2% absolute improvement over the base model on GSM8K (+2.9 pp vs. instruction-tuned, +6.6 pp vs. Self-Instruct), 8.7% on MATH, 13.1% on GPQA (+7.0 pp vs. SynthLLM), 8.9% on MedQA, 17.7% on CQA (law) and 13.7% on CFA (finance). It surpasses supervised fine-tuning under the same data budget and nearly matches RL with full human data across datasets (e.g., +17.2 pp on GSM8K). Adding 100 human demonstrations improves the performance of GSM8K only by 0.4 pp, showing a limited added value. By reducing human data annotation, Synthetic Data RL enables scalable and efficient RL-based model adaptation. Code and demos are available at https://github.com/gydpku/Data_Synthesis_RL/.

To enable automatic disassembly of different product types with uncertain conditions and degrees of wear in remanufacturing, agile production systems that can adapt dynamically to changing requirements are needed. Machine learning algorithms can be employed due to their generalization capabilities of learning from various types and variants of products. However, in reality, datasets with a diversity of samples that can be used to train models are difficult to obtain in the initial period. This may cause bad performances when the system tries to adapt to new unseen input data in the future. In order to generate large datasets for different learning purposes, in our project, we present a Blender add-on named MotorFactory to generate customized mesh models of various motor instances. MotorFactory allows to create mesh models which, complemented with additional add-ons, can be further used to create synthetic RGB images, depth images, normal images, segmentation ground truth masks, and 3D point cloud datasets with point-wise semantic labels. The created synthetic datasets may be used for various tasks including motor type classification, object detection for decentralized material transfer tasks, part segmentation for disassembly and handling tasks, or even reinforcement learning-based robotics control or view-planning.

Recent advances in large language model (LLM) training have highlighted the need for diverse, high-quality instruction data. Recently, many works are exploring synthetic data generation using LLMs. However, they primarily focus on prompt engineering with standard supervised instruction-finetuned models, which contains a fundamental limitation: these models are optimized for general question-answering/problem-solving rather than data generation. We propose a paradigm shift named NOMAD by investigating how to specifically train models for data generation, demonstrating that this task differs significantly from training a classical LM. We identify two key factors: no-prompt-masked training and proper training set size selection. Our method, NOMAD, shows substantial improvements over baselines, achieving >4\% gains in TriviaQA and >2\% in GSM8K with limited training data. Finally, we offer new insights by interpreting synthetic data through the lenses of "relevance" and "novelty".

Synthetic data has the potential to improve the performance, training efficiency, and privacy of real training examples. Nevertheless, existing approaches for synthetic text generation are mostly heuristics and cannot generate human-readable text without compromising the privacy of real data, or provide performance guarantees for training Large Language Models (LLMs). In this work, we propose the first theoretically rigorous approach for generating synthetic human-readable text that provides convergence, performance, and privacy guarantees for fine-tuning LLMs on a target task. To do so, we leverage Alternating Direction Method of Multipliers (ADMM) that iteratively optimizes the embeddings of synthetic examples to match the noisy gradient of the target training or validation data, and maps them to a sequence of text tokens with low perplexity. In doing so, the generated synthetic text guarantees convergence of the model to a close neighborhood of the solution obtained by fine-tuning on real data and preserves their privacy. Experiments on various classification tasks confirm the effectiveness of our proposed approach. Our code is available at https://github.com/BigML-CS-UCLA/GRADMM.

Artificial Intelligence (AI) advancement is heavily dependent on access to large-scale, high-quality training data. However, in specialized domains such as healthcare, data acquisition faces significant constraints due to privacy regulations, ethical considerations, and limited availability. While synthetic data generation offers a promising solution, conventional approaches typically require substantial real data for training generative models. The emergence of large-scale prompt-based models presents new opportunities for synthetic data generation without direct access to protected data. However, crafting effective prompts for domain-specific data generation remains challenging, and manual prompt engineering proves insufficient for achieving output with sufficient precision and authenticity. We review recent developments in automatic prompt optimization, following PRISMA guidelines. We analyze six peer-reviewed studies published between 2020 and 2024 that focus on automatic data-free prompt optimization methods. Our analysis reveals three approaches: feedback-driven, error-based, and control-theoretic. Although all approaches demonstrate promising capabilities in prompt refinement and adaptation, our findings suggest the need for an integrated framework that combines complementary optimization techniques to enhance synthetic data generation while minimizing manual intervention. We propose future research directions toward developing robust, iterative prompt optimization frameworks capable of improving the quality of synthetic data. This advancement can be particularly crucial for sensitive fields and in specialized domains where data access is restricted, potentially transforming how we approach synthetic data generation for AI development.

Small language models (SLMs; 1-12B params, sometimes up to 20B) are sufficient and often superior for agentic workloads where the objective is schema- and API-constrained accuracy rather than open-ended generation. We synthesize recent evidence across open and proprietary SLMs (Phi-4-Mini, Qwen-2.5-7B, Gemma-2-9B, Llama-3.2-1B/3B, Ministral-3B/8B, Apple on-device 3B, DeepSeek-R1-Distill) and connect it to modern evaluations (BFCL v3/v4, StableToolBench) and serving stacks (vLLM, SGLang, TensorRT-LLM) paired with guided decoding libraries (XGrammar, Outlines). We formalize SLM-default, LLM-fallback systems with uncertainty-aware routing and verifier cascades, and propose engineering metrics that reflect real production goals: cost per successful task (CPS), schema validity rate, executable call rate, p50/p95 latency, and energy per request. Guided decoding, strict JSON Schema outputs, and validator-first tool execution close much of the capability gap with larger models and often let SLMs match or surpass LLMs on tool use, function calling, and RAG at 10x-100x lower token cost with materially better latency and energy. We provide design patterns for agent stacks that prioritize SLMs: schema-first prompting, type-safe function registries, confidence scoring with verifier rollups, and lightweight adaptation via LoRA/QLoRA. We also delineate limits where fallback remains valuable (open-domain reasoning and some long-horizon planning). The result is a practical blueprint for building fast, inexpensive, and reliable agents that default to SLMs while preserving headroom with targeted LLM assistance. Keywords: small language models, agents, function calling, structured outputs, JSON Schema, guided decoding, LoRA/QLoRA, routing, energy efficiency, edge inference

Synthetic simulation data and real-world human data provide scalable alternatives to circumvent the prohibitive costs of robot data collection. However, these sources suffer from the sim-to-real visual gap and the human-to-robot embodiment gap, respectively, which limits the policy's generalization to real-world scenarios. In this work, we identify a natural yet underexplored complementarity between these sources: simulation offers the robot action that human data lacks, while human data provides the real-world observation that simulation struggles to render. Motivated by this insight, we present SimHum, a co-training framework to simultaneously extract kinematic prior from simulated robot actions and visual prior from real-world human observations. Based on the two complementary priors, we achieve data-efficient and generalizable robotic manipulation in real-world tasks. Empirically, SimHum outperforms the baseline by up to 40% under the same data collection budget, and achieves a 62.5% OOD success with only 80 real data, outperforming the real only baseline by 7.1times. Videos and additional information can be found at https://kaipengfang.github.io/sim-and-human{project website}.

LLM pretraining is shifting from a compute-bound to a data-bound regime, where available human (organic) text falls far short of scaling demands. However, reaching the data-bound regime does not mean the model has fully utilized its organic corpus. In this paper, we introduce SynPro, a synthetic data generation framework that helps LLMs more thoroughly learn from limited organic data. SynPro applies two operations, rephrasing and reformat, that present the same organic source in diverse forms to facilitate deeper learning without introducing external information. Both generators are optimized via reinforcement learning with quality, faithfulness, and data influence rewards, and are continuously updated as pretraining plateaus to target content the model has yet to absorb. We pretrain 400M and 1.1B models with 10% of their Chinchilla-optimal tokens (0.8B and 2.2B) from DCLM-Baseline, reflecting a realistic data-bound regime in frontier pretraining. Our results reveal that organic data is significantly underutilized by standard repetition: SynPro unlocks 3.7-5.2x the effective tokens of repetition, even surpassing the non-data-bound oracle that trains on equivalent unique data at the 1.1B scale. Analyses confirm that faithful, model-aware synthesis sustains data-bound scaling without causing distribution collapse. We open-source our code at https://github.com/cxcscmu/SynPro.

Data is the lifeblood of AI, yet much of the most valuable data remains locked in silos due to privacy and regulations. As a result, AI remains heavily underutilized in many of the most important domains, including healthcare, education, and finance. Synthetic data generation (SDG), i.e. the generation of artificial data with a synthesizer trained on real data, offers an appealing solution to make data available while mitigating privacy concerns, however existing SDG-as-a-service workflow require data holders to trust providers with access to private data.We propose FHAIM, the first fully homomorphic encryption (FHE) framework for training a marginal-based synthetic data generator on encrypted tabular data. FHAIM adapts the widely used AIM algorithm to the FHE setting using novel FHE protocols, ensuring that the private data remains encrypted throughout and is released only with differential privacy guarantees. Our empirical analysis show that FHAIM preserves the performance of AIM while maintaining feasible runtimes.

Engineering design operates through hierarchical abstraction from system specifications to component implementations, requiring visual understanding coupled with mathematical reasoning at each level. While Multi-modal Large Language Models (MLLMs) excel at natural image tasks, their ability to extract mathematical models from technical diagrams remains unexplored. We present CircuitSense, a comprehensive benchmark evaluating circuit understanding across this hierarchy through 8,006+ problems spanning component-level schematics to system-level block diagrams. Our benchmark uniquely examines the complete engineering workflow: Perception, Analysis, and Design, with a particular emphasis on the critical but underexplored capability of deriving symbolic equations from visual inputs. We introduce a hierarchical synthetic generation pipeline consisting of a grid-based schematic generator and a block diagram generator with auto-derived symbolic equation labels. Comprehensive evaluation of six state-of-the-art MLLMs, including both closed-source and open-source models, reveals fundamental limitations in visual-to-mathematical reasoning. Closed-source models achieve over 85\% accuracy on perception tasks involving component recognition and topology identification, yet their performance on symbolic derivation and analytical reasoning falls below 19\%, exposing a critical gap between visual parsing and symbolic reasoning. Models with stronger symbolic reasoning capabilities consistently achieve higher design task accuracy, confirming the fundamental role of mathematical understanding in circuit synthesis and establishing symbolic reasoning as the key metric for engineering competence.

Large Language Models (LLMs) have achieved remarkable success in software engineering tasks when trained with executable runtime environments, particularly in resolving GitHub issues. However, such runtime environments are often unavailable in other domains, especially cybersecurity, where challenge configurations and execution contexts are ephemeral or restricted. We present Cyber-Zero, the first runtime-free framework for synthesizing high-quality agent trajectories to train cybersecurity LLMs. Cyber-Zero leverages publicly available CTF writeups and employs persona-driven LLM simulation to reverse-engineer runtime behaviors and generate realistic, long-horizon interaction sequences without actual environments. Using trajectories synthesized by Cyber-Zero, we train LLM-based agents that achieve up to 13.1% absolute performance gains over baseline models on three prominent CTF benchmarks: InterCode-CTF, NYU CTF Bench, and Cybench. Our best model, Cyber-Zero-32B, establishes new state-of-the-art performance among open-weight models, matching the capabilities of proprietary systems like DeepSeek-V3-0324 and Claude-3.5-Sonnet while offering superior cost-effectiveness, and demonstrating that runtime-free trajectory synthesis can effectively democratize the development of state-of-the-art cybersecurity agents.

Recent smaller language models such Phi-3.5 and Phi-4 rely on synthetic data generated using larger Language models. Questions remain about leveraging synthetic data for other use cases, such as adapting LLMs to specific domains. A key limitation of synthetic data is low diversity, which negatively impacts its downstream applicability for improving other models. To address this, we propose MetaSynth, a method for generating synthetic data that enhances diversity through meta-prompting, where a language model orchestrates multiple "expert" LLM agents to collaboratively generate data. Using only 25 million tokens of synthetic data generated with MetaSynth, we successfully adapt a well-trained LLM (Mistral-7B-v0.3) to two specialized domains-Finance and Biomedicine-without compromising the capabilities of the resulting model in general tasks. In addition, we evaluate the diversity of our synthetic data using seven automated metrics, and find that it approaches the diversity of LLM pre-training corpora. Continually pre-training Mistral-7B-v0.3 with MetaSynth notably outperforms the base LLM, showing improvements of up to 4.08% in Finance and 13.75% in Biomedicine. The same model shows degraded performance when trained on data generated using a template prompt, even when the template includes prior generations and varying In-Context exemplars of real data. Our findings suggest that a few million tokens of diverse synthetic data without mixing any real data, is sufficient for effective domain adaptation when using MetaSynth.

Large language models (LLMs) show great potential for synthetic data generation. This work shows that useful data can be synthetically generated even for tasks that cannot be solved directly by the LLM: we show that, for problems with structured outputs, it is possible to prompt an LLM to perform the task in the opposite direction, to generate plausible text for the target structure. Leveraging the asymmetry in task difficulty makes it possible to produce large-scale, high-quality data for complex tasks. We demonstrate the effectiveness of this approach on closed information extraction, where collecting ground-truth data is challenging, and no satisfactory dataset exists to date. We synthetically generate a dataset of 1.8M data points, demonstrate its superior quality compared to existing datasets in a human evaluation and use it to finetune small models (220M and 770M parameters). The models we introduce, SynthIE, outperform existing baselines of comparable size with a substantial gap of 57 and 79 absolute points in micro and macro F1, respectively. Code, data, and models are available at https://github.com/epfl-dlab/SynthIE.

Generating accurate circuit schematics from high-level natural language descriptions remains a persistent challenge in electronics design, as large language models (LLMs) frequently hallucinate in granular details, violate electrical constraints, and produce non-machine-readable outputs. We present CircuitLM, a novel multi-agent LLM-aided circuit design pipeline that translates user prompts into structured, visually interpretable CircuitJSON schematics through five sequential stages: (i) LLM-based component identification, (ii) canonical pinout retrieval, (iii) chain-of-thought reasoning by an electronics expert agent, (iv) JSON schematic synthesis, and (v) force-directed SVG visualization. Anchored by a curated, embedding-powered component knowledge base. While LLMs often violate electrical constraints, CircuitLM bridges this gap by grounding generation in a verified and dynamically extensible component database, initially comprising 50 components. To ensure safety, we incorporate a hybrid evaluation framework, namely Dual-Metric Circuit Validation (DMCV), validated against human-expert assessments, which achieves high fidelity in microcontroller-centric designs. We evaluate the system on 100 diverse embedded-systems prompts across six LLMs and introduce DMCV to assess both structural and electrical validity. This work bridges natural language input to deployable hardware designs, enabling reliable circuit prototyping by non-experts. Our code and data will be made public upon acceptance.

We have witnessed remarkable advances in LLM reasoning capabilities with the advent of DeepSeek-R1. However, much of this progress has been fueled by the abundance of internet question-answer (QA) pairs, a major bottleneck going forward, since such data is limited in scale and concentrated mainly in domains like mathematics. In contrast, other sciences such as physics lack large-scale QA datasets to effectively train reasoning-capable models. In this work, we show that physics simulators can serve as a powerful alternative source of supervision for training LLMs for physical reasoning. We generate random scenes in physics engines, create synthetic question-answer pairs from simulated interactions, and train LLMs using reinforcement learning on this synthetic data. Our models exhibit zero-shot sim-to-real transfer to real-world physics benchmarks: for example, training solely on synthetic simulated data improves performance on IPhO (International Physics Olympiad) problems by 5-10 percentage points across model sizes. These results demonstrate that physics simulators can act as scalable data generators, enabling LLMs to acquire deep physical reasoning skills beyond the limitations of internet-scale QA data. Code available at: https://sim2reason.github.io/.

Industrial mushroom cultivation increasingly relies on computer vision for monitoring and automated harvesting. However, developing accurate detection and segmentation models requires large, precisely annotated datasets that are costly to produce. Synthetic data provides a scalable alternative, yet often lacks sufficient realism to generalize to real-world scenarios. This paper presents a novel workflow that integrates 3D rendering in Blender with a constrained diffusion model to automatically generate high-quality annotated, photorealistic synthetic images of Agaricus Bisporus mushrooms. This approach preserves full control over 3D scene configuration and annotations while achieving photorealism without the need for specialized computer graphics expertise. We release two synthetic datasets (each containing 6,000 images depicting over 250k mushroom instances) and evaluate Mask R-CNN models trained on them in a zero-shot setting. When tested on two independent real-world datasets (including a newly collected benchmark), our method achieves state-of-the-art segmentation performance (F1 = 0.859 on M18K), despite using only synthetic training data. Although the approach is demonstrated on Agaricus Bisporus mushrooms, the proposed pipeline can be readily adapted to other mushroom species or to other agricultural domains, such as fruit and leaf detection.

Large language models (LLMs) achieve strong performance across diverse tasks, largely driven by high-quality web data used in pre-training. However, recent studies indicate this data source is rapidly depleting. Synthetic data emerges as a promising alternative, but it remains unclear whether synthetic datasets exhibit predictable scalability comparable to raw pre-training data. In this work, we systematically investigate the scaling laws of synthetic data by introducing SynthLLM, a scalable framework that transforms pre-training corpora into diverse, high-quality synthetic datasets. Our approach achieves this by automatically extracting and recombining high-level concepts across multiple documents using a graph algorithm. Key findings from our extensive mathematical experiments on SynthLLM include: (1) SynthLLM generates synthetic data that reliably adheres to the rectified scaling law across various model sizes; (2) Performance improvements plateau near 300B tokens; and (3) Larger models approach optimal performance with fewer training tokens. For instance, an 8B model peaks at 1T tokens, while a 3B model requires 4T. Moreover, comparisons with existing synthetic data generation and augmentation methods demonstrate that SynthLLM achieves superior performance and scalability. Our findings highlight synthetic data as a scalable and reliable alternative to organic pre-training corpora, offering a viable path toward continued improvement in model performance.

Automated Verilog code synthesis poses significant challenges and typically demands expert oversight. Traditional high-level synthesis (HLS) methods often fail to scale for real-world designs. While large language models (LLMs) have enhanced scalability, they often introduce syntactical and logical errors requiring extensive post-generation verification. Here, we introduce a novel conjunctive normal form (CNF)-guided synthesis methodology. The idea is to have an LLM generate CNF clauses, a format widely used for formal verification and synthesis validation in hardware design, but here it is used to formally describe the desired circuit functionality. These CNF specifications are then deterministically converted into Verilog, ensuring correctness by construction. Our approach fine-tunes an open-source and lightweight LLM, namely the CPU-deployable LLama-3.2-3B-Instruct model (parameters < 4B), on a dataset of standard RTL components. Experimental results demonstrate that our approach reliably produces functionally correct Verilog code on the first attempt, compared to other lightweight open-source SoTA works such as Verigen (2B parameters) and RTLCoder (4-bit quantized with around 7B parameters). We will release our method and data in full post peer-review.

Recent breakthroughs in multi-talker ASR (MT-ASR) and speaker diarization (SD) rely on synthetic data to mitigate the scarcity of large-scale conversational recordings, yet the impact of specific simulation choices remains poorly understood. To mind the gap between simulated mixtures and real-world interactions, we present a study of synthetic data generation for leading MT-ASR (DiCoW) and SD (Sortformer) systems. By introducing FastMSS, a highly efficient open-source simulator, we analyze turn-taking dynamics, source domain, acoustic augmentation, and data mixing strategies. Our findings reveal that optimal simulation recipes are highly task-dependent: increasing speech overlap benefits ASR but degrades diarization. Furthermore, broad source diversity consistently outperforms exact domain matching. Ultimately, synthetic-only training approaches real-data baselines, and combining simulated data with real recordings yields substantial gains over real-only training across both tasks.

The recently developed and publicly available synthetic image generation methods and services make it possible to create extremely realistic imagery on demand, raising great risks for the integrity and safety of online information. State-of-the-art Synthetic Image Detection (SID) research has led to strong evidence on the advantages of feature extraction from foundation models. However, such extracted features mostly encapsulate high-level visual semantics instead of fine-grained details, which are more important for the SID task. On the contrary, shallow layers encode low-level visual information. In this work, we leverage the image representations extracted by intermediate Transformer blocks of CLIP's image-encoder via a lightweight network that maps them to a learnable forgery-aware vector space capable of generalizing exceptionally well. We also employ a trainable module to incorporate the importance of each Transformer block to the final prediction. Our method is compared against the state-of-the-art by evaluating it on 20 test datasets and exhibits an average +10.6% absolute performance improvement. Notably, the best performing models require just a single epoch for training (~8 minutes). Code available at https://github.com/mever-team/rine.

Synthetic Data Generation (SDG) based on Artificial Intelligence (AI) can transform the way clinical medicine is delivered by overcoming privacy barriers that currently render clinical data sharing difficult. This is the key to accelerating the development of digital tools contributing to enhanced patient safety. Such tools include robust data-driven clinical decision support systems, and example-based digital training tools that will enable healthcare professionals to improve their diagnostic performance for enhanced patient safety. This study focuses on the clinical evaluation of medical SDG, with a proof-of-concept investigation on diagnosing Inflammatory Bowel Disease (IBD) using Wireless Capsule Endoscopy (WCE) images. Its scientific contributions include a) a novel protocol for the systematic Clinical Evaluation of Medical Image Synthesis (CEMIS); b) a novel variational autoencoder-based model for the generation of high-resolution synthetic WCE images; and c) a comprehensive evaluation of the synthetic images using the CEMIS protocol by 10 international WCE specialists, in terms of image quality, diversity, and realism, as well as their utility for clinical decision-making. The results show that TIDE-II generates clinically plausible, very realistic WCE images, of improved quality compared to relevant state-of-the-art generative models. Concludingly, CEMIS can serve as a reference for future research on medical image-generation techniques, while the adaptation/extension of the architecture of TIDE-II to other imaging domains can be promising.

There are very few SotA deception systems based on Large Language Models. The existing ones are limited only to simulating one type of service, mainly SSH shells. These systems - but also the deception technologies not based on LLMs - lack an extensive evaluation that includes human attackers. Generative AI has recently become a valuable asset for cybersecurity researchers and practitioners, and the field of cyber-deception is no exception. Researchers have demonstrated how LLMs can be leveraged to create realistic-looking honeytokens, fake users, and even simulated systems that can be used as honeypots. This paper presents an AI-based deception framework called VelLMes, which can simulate multiple protocols and services such as SSH Linux shell, MySQL, POP3, and HTTP. All of these can be deployed and used as honeypots, thus VelLMes offers a variety of choices for deception design based on the users' needs. VelLMes is designed to be attacked by humans, so interactivity and realism are key for its performance. We evaluate the generative capabilities and the deception capabilities. Generative capabilities were evaluated using unit tests for LLMs. The results of the unit tests show that, with careful prompting, LLMs can produce realistic-looking responses, with some LLMs having a 100% passing rate. In the case of the SSH Linux shell, we evaluated deception capabilities with 89 human attackers. The results showed that about 30% of the attackers thought that they were interacting with a real system when they were assigned an LLM-based honeypot. Lastly, we deployed 10 instances of the SSH Linux shell honeypot on the Internet to capture real-life attacks. Analysis of these attacks showed us that LLM honeypots simulating Linux shells can perform well against unstructured and unexpected attacks on the Internet, responding correctly to most of the issued commands.

Analog circuit design remains a knowledge- and experience-intensive process that relies heavily on human intuition for topology generation and device parameter tuning. Existing LLM-based approaches typically depend on prompt-driven netlist generation or predefined topology templates, limiting their ability to satisfy complex specification requirements. We propose AnalogSAGE, an open-source self-evolving multi-agent framework that coordinates three-stage agent explorations through four stratified memory layers, enabling iterative refinement with simulation-grounded feedback. To support reproducibility and generality, we release the source code. Our benchmark spans ten specification-driven operational amplifier design problems of varying difficulty, enabling quantitative and cross-task comparison under identical conditions. Evaluated under the open-source SKY130 PDK with ngspice, AnalogSAGE achieves a 10times overall pass rate, a 48times Pass@1, and a 4times reduction in parameter search space compared with existing frameworks, demonstrating that stratified memory and grounded reasoning substantially enhance the reliability and autonomy of analog design automation in practice.

Recent text-to-image generation models have shown promising results in generating high-fidelity photo-realistic images. Though the results are astonishing to human eyes, how applicable these generated images are for recognition tasks remains under-explored. In this work, we extensively study whether and how synthetic images generated from state-of-the-art text-to-image generation models can be used for image recognition tasks, and focus on two perspectives: synthetic data for improving classification models in data-scarce settings (i.e. zero-shot and few-shot), and synthetic data for large-scale model pre-training for transfer learning. We showcase the powerfulness and shortcomings of synthetic data from existing generative models, and propose strategies for better applying synthetic data for recognition tasks. Code: https://github.com/CVMI-Lab/SyntheticData.

Medical imaging is essential in modern radiotherapy, supporting diagnosis, treatment planning, and monitoring. Synthetic imaging, particularly synthetic computed tomography (sCT), is gaining traction in radiotherapy. The SynthRAD2025 dataset and Grand Challenge promote advancements in sCT generation by providing a benchmarking platform for algorithms using cone-beam CT (CBCT) and magnetic resonance imaging (MRI). The dataset includes 2362 cases: 890 MRI-CT and 1472 CBCT-CT pairs from head-and-neck, thoracic, and abdominal cancer patients treated at five European university medical centers (UMC Groningen, UMC Utrecht, Radboud UMC, LMU University Hospital Munich, and University Hospital of Cologne). Data were acquired with diverse scanners and protocols. Pre-processing, including rigid and deformable image registration, ensures high-quality, modality-aligned images. Extensive quality assurance validates image consistency and usability. All imaging data is provided in MetaImage (.mha) format, ensuring compatibility with medical image processing tools. Metadata, including acquisition parameters and registration details, is available in structured CSV files. To maintain dataset integrity, SynthRAD2025 is divided into training (65%), validation (10%), and test (25%) sets. The dataset is accessible at https://doi.org/10.5281/zenodo.14918089 under the SynthRAD2025 collection. This dataset supports benchmarking and the development of synthetic imaging techniques for radiotherapy applications. Use cases include sCT generation for MRI-only and MR-guided photon/proton therapy, CBCT-based dose calculations, and adaptive radiotherapy workflows. By integrating diverse acquisition settings, SynthRAD2025 fosters robust, generalizable image synthesis algorithms, advancing personalized cancer care and adaptive radiotherapy.

In recent years, methods for producing highly realistic synthetic images have significantly advanced, allowing the creation of high-quality images from text prompts that describe the desired content. Even more impressively, Stable Diffusion (SD) models now provide users with the option of creating synthetic images in an image-to-image translation fashion, modifying images in the latent space of advanced autoencoders. This striking evolution, however, brings an alarming consequence: it is possible to pass an image through SD autoencoders to reproduce a synthetic copy of the image with high realism and almost no visual artifacts. This process, known as SD image laundering, can transform real images into lookalike synthetic ones and risks complicating forensic analysis for content authenticity verification. Our paper investigates the forensic implications of image laundering, revealing a serious potential to obscure traces of real content, including sensitive and harmful materials that could be mistakenly classified as synthetic, thereby undermining the protection of individuals depicted. To address this issue, we propose a two-stage detection pipeline that effectively differentiates between pristine, laundered, and fully synthetic images (those generated from text prompts), showing robustness across various conditions. Finally, we highlight another alarming property of image laundering, which appears to mask the unique artifacts exploited by forensic detectors to solve the camera model identification task, strongly undermining their performance. Our experimental code is available at https://github.com/polimi-ispl/synthetic-image-detection.

Recent advancements in behavior cloning have enabled robots to perform complex manipulation tasks. However, accurately assessing training performance remains challenging, particularly for real-world applications, as behavior cloning losses often correlate poorly with actual task success. Consequently, researchers resort to success rate metrics derived from costly and time-consuming real-world evaluations, making the identification of optimal policies and detection of overfitting or underfitting impractical. To address these issues, we propose real-is-sim, a novel behavior cloning framework that incorporates a dynamic digital twin (based on Embodied Gaussians) throughout the entire policy development pipeline: data collection, training, and deployment. By continuously aligning the simulated world with the physical world, demonstrations can be collected in the real world with states extracted from the simulator. The simulator enables flexible state representations by rendering image inputs from any viewpoint or extracting low-level state information from objects embodied within the scene. During training, policies can be directly evaluated within the simulator in an offline and highly parallelizable manner. Finally, during deployment, policies are run within the simulator where the real robot directly tracks the simulated robot's joints, effectively decoupling policy execution from real hardware and mitigating traditional domain-transfer challenges. We validate real-is-sim on the PushT manipulation task, demonstrating strong correlation between success rates obtained in the simulator and real-world evaluations. Videos of our system can be found at https://realissim.rai-inst.com.

Deep neural networks have brought remarkable breakthroughs in medical image analysis. However, due to their data-hungry nature, the modest dataset sizes in medical imaging projects might be hindering their full potential. Generating synthetic data provides a promising alternative, allowing to complement training datasets and conducting medical image research at a larger scale. Diffusion models recently have caught the attention of the computer vision community by producing photorealistic synthetic images. In this study, we explore using Latent Diffusion Models to generate synthetic images from high-resolution 3D brain images. We used T1w MRI images from the UK Biobank dataset (N=31,740) to train our models to learn about the probabilistic distribution of brain images, conditioned on covariables, such as age, sex, and brain structure volumes. We found that our models created realistic data, and we could use the conditioning variables to control the data generation effectively. Besides that, we created a synthetic dataset with 100,000 brain images and made it openly available to the scientific community.

Large language models (LLMs) are transforming automated program repair (APR) through agent-based approaches that localize bugs, generate patches, and verify fixes. However, the lack of high-quality, scalable training datasets, especially those with verifiable outputs and intermediate reasoning traces-limits progress, particularly for open-source models. In this work, we present SWE-Synth, a framework for synthesizing realistic, verifiable, and process-aware bug-fix datasets at the repository level. SWE-Synth leverages LLM agents to simulate debugging workflows, producing not only bug-fix pairs but also test cases and structured repair trajectories. Compared to manually curated datasets, our method scales with minimal human effort while preserving contextual richness and correctness. Experiments show that models trained on SWE-Synth outperform those trained on real-world datasets by 2.3% on SWE-Bench Lite. Our results highlight the potential of synthetic, agent-generated data to advance the state of the art in APR and software engineering automation.

Auto-completing code enables developers to speed up coding significantly. Recent advances in transformer-based large language model (LLM) technologies have been applied to code synthesis. However, studies show that many of such synthesized codes contain vulnerabilities. We propose a novel vulnerability-constrained decoding approach to reduce the amount of vulnerable code generated by such models. Using a small dataset of labeled vulnerable lines of code, we fine-tune an LLM to include vulnerability labels when generating code, acting as an embedded classifier. Then, during decoding, we deny the model to generate these labels to avoid generating vulnerable code. To evaluate the method, we chose to automatically complete Ethereum Blockchain smart contracts (SCs) as the case study due to the strict requirements of SC security. We first fine-tuned the 6-billion-parameter GPT-J model using 186,397 Ethereum SCs after removing the duplication from 2,217,692 SCs. The fine-tuning took more than one week using ten GPUs. The results showed that our fine-tuned model could synthesize SCs with an average BLEU (BiLingual Evaluation Understudy) score of 0.557. However, many codes in the auto-completed SCs were vulnerable. Using the code before the vulnerable line of 176 SCs containing different types of vulnerabilities to auto-complete the code, we found that more than 70% of the auto-completed codes were insecure. Thus, we further fine-tuned the model on other 941 vulnerable SCs containing the same types of vulnerabilities and applied vulnerability-constrained decoding. The fine-tuning took only one hour with four GPUs. We then auto-completed the 176 SCs again and found that our approach could identify 62% of the code to be generated as vulnerable and avoid generating 67% of them, indicating the approach could efficiently and effectively avoid vulnerabilities in the auto-completed code.

Superconducting Digital (SCD) technology offers significant potential for enhancing the performance of next generation large scale compute workloads. By leveraging advanced lithography and a 300 mm platform, SCD devices can reduce energy consumption and boost computational power. This paper presents a cross-layer modeling approach to evaluate the system-level performance benefits of SCD architectures for Large Language Model (LLM) training and inference. Our findings, based on experimental data and Pulse Conserving Logic (PCL) design principles, demonstrate substantial performance gain in both training and inference. We are, thus, able to convincingly show that the SCD technology can address memory and interconnect limitations of present day solutions for next-generation compute systems.

Limited large-scale evaluations exist for facilitation strategies of online discussions due to significant costs associated with human involvement. An effective solution is synthetic discussion simulations using Large Language Models (LLMs) to create initial pilot experiments. We propose a simple, generalizable, LLM-driven methodology to prototype the development of LLM facilitators, and produce high-quality synthetic data without human involvement. We use our methodology to test whether current facilitation strategies can improve the performance of LLM facilitators. We find that, while LLM facilitators significantly improve synthetic discussions, there is no evidence that the application of more elaborate facilitation strategies proposed in modern Social Science research lead to further improvements in discussion quality, compared to more basic approaches. Additionally, we find that small LLMs (such as Mistral Nemo 12B) can perform comparably to larger models (such as LLaMa 70B), and that special instructions must be used for instruction-tuned models to induce toxicity in synthetic discussions. We confirm that each component of our methodology contributes substantially to high quality data via an ablation study. We release an open-source framework, "SynDisco" (pip install syndisco), which implements our methodology. We also release the "Virtual Moderation Dataset" (https://paperswithcode.com/dataset/vmd), a large, publicly available dataset containing LLM-generated and LLM-annotated discussions using multiple open-source LLMs.

Generative models such as Large Language Models, Diffusion Models, and generative adversarial networks have recently revolutionized the creation of synthetic data, offering scalable solutions to data scarcity, privacy, and annotation challenges in data mining. This tutorial introduces the foundations and latest advances in synthetic data generation, covers key methodologies and practical frameworks, and discusses evaluation strategies and applications. Attendees will gain actionable insights into leveraging generative synthetic data to enhance data mining research and practice. More information can be found on our website: https://syndata4dm.github.io/.

The large-scale deployment of personalized healthcare agents demands memory mechanisms that are exceptionally precise, safe, and capable of long-term clinical tracking. However, existing benchmarks primarily focus on daily open-domain conversations, failing to capture the high-stakes complexity of real-world medical applications. Motivated by the stringent production requirements of an industry-leading health management agent serving tens of millions of active users, we introduce MedMemoryBench. We develop a human-agent collaborative pipeline to synthesize highly realistic, long-horizon medical trajectories based on clinically grounded, synthetic patient archetypes. This process yields a massive, expertly validated dataset comprising approximately 2,000 sessions and 16,000 interaction turns. Crucially, MedMemoryBench departs from traditional static evaluations by pioneering an "evaluate-while-constructing" streaming assessment protocol, which precisely mirrors dynamic memory accumulation in production environments. Furthermore, we formalize and systematically investigate the critical phenomenon of memory saturation, where sustained information influx actively degrades retrieval and reasoning robustness. Comprehensive benchmarking reveals severe bottlenecks in mainstream architectures, particularly concerning complex medical reasoning and noise resilience. By exposing these fundamental flaws, MedMemoryBench establishes a vital foundation for developing robust, production-ready medical agents.

Reliable verifiable data has become a key driver of capability gains in modern language models, enabling stable reinforcement learning with verifiable rewards and effective distillation that transfers competence across math, coding, and agentic tasks. Yet constructing generalizable synthetic verifiable data remains difficult due to hallucination-prone generation, and weak or trivial verification artifacts that fail to separate strong from weak solutions. Existing approaches often rely on task-specific heuristics or post-hoc filters that do not transfer across domains and lack a principled, universal evaluator of verifiability. In this work, we introduce an evolutionary, task-agnostic, strategy-guided, executably-checkable data synthesis framework that, from minimal seed supervision, jointly synthesizes problems, diverse candidate solutions, and verification artifacts, and iteratively discovers strategies via a consistency-based evaluator that enforces agreement between human-annotated and strategy-induced checks. This pipeline upgrades filtering into principled synthesis: it reliably assembles coherent, verifiable training instances and generalizes without domain-specific rules. Our experiments demonstrate the effectiveness of the proposed approach under both RLVR and model distillation training paradigms. The results show that training with our synthesized data yields significant improvements on both the LiveCodeBench and AgentBench-OS tasks, highlighting the robust generalization of our framework.

The landscape of synthetic media has been irrevocably altered by text-to-video (T2V) models, whose outputs are rapidly approaching indistinguishability from reality. Critically, this technology is no longer confined to large-scale labs; the proliferation of efficient, open-source generators is democratizing the ability to create high-fidelity synthetic content on consumer-grade hardware. This makes existing face-centric and manipulation-based benchmarks obsolete. To address this urgent threat, we introduce SynthForensics, to the best of our knowledge the first human-centric benchmark for detecting purely synthetic video deepfakes. The benchmark comprises 6,815 unique videos from five architecturally distinct, state-of-the-art open-source T2V models. Its construction was underpinned by a meticulous two-stage, human-in-the-loop validation to ensure high semantic and visual quality. Each video is provided in four versions (raw, lossless, light, and heavy compression) to enable real-world robustness testing. Experiments demonstrate that state-of-the-art detectors are both fragile and exhibit limited generalization when evaluated on this new domain: we observe a mean performance drop of 29.19% AUC, with some methods performing worse than random chance, and top models losing over 30 points under heavy compression. The paper further investigates the efficacy of training on SynthForensics as a means to mitigate these observed performance gaps, achieving robust generalization to unseen generators (93.81% AUC), though at the cost of reduced backward compatibility with traditional manipulation-based deepfakes. The complete dataset and all generation metadata, including the specific prompts and inference parameters for every video, will be made publicly available at [link anonymized for review].

Validating autonomous driving systems requires diverse, regulation-compliant test scenarios. In simulation-based testing, scenarios are defined as executable scripts. Yet automatically generating such scripts from regulatory descriptions remains an open challenge, and existing approaches face fundamental trade-offs. Retrieval-assemble methods achieve reasonable compilation rates but lack scalability, whereas retrieval-based full-script generation suffers from low compilation success rates. We present Chat2Scenic, the first iterative retrieval-augmented framework to generate scenario scripts in Domain Specific Language (DSL). Specifically, Chat2Scenic provides a chatbot interface that supports interactive scenario refinement and integrates Retrieval-augmented Generation (RAG) to ground scenario generation in regulatory knowledge and DSL syntax. Furthermore, we propose an open benchmark for scenario generation comprising 123 scenarios from various regulations, including NHTSA and United Nations Vehicle Regulations, as well as other sources. Extensive evaluation with State-of-the-Art (SOTA) Large Language Models (LLMs) demonstrates that Chat2Scenic achieves 76.42% Compilation Success Rate (CSR) and 58.17% Framework Accuracy (FA), outperforming existing methods (Retrieval Assemble with 30.08% CSR, 11.03% FA and Retrieval full script generation with 16.26% CSR, 10.86% FA). To facilitate future research, we release our code as open source at https://github.com/TUM-AVS/chat2scenic.

The performance of machine learning models depends heavily on training data. The scarcity of large-scale, well-annotated datasets poses significant challenges in creating robust models. To address this, synthetic data generated through simulations and generative models has emerged as a promising solution, enhancing dataset diversity and improving the performance, reliability, and resilience of models. However, evaluating the quality of this generated data requires an effective metric. This paper introduces the Synthetic Dataset Quality Metric (SDQM) to assess data quality for object detection tasks without requiring model training to converge. This metric enables more efficient generation and selection of synthetic datasets, addressing a key challenge in resource-constrained object detection tasks. In our experiments, SDQM demonstrated a strong correlation with the mean Average Precision (mAP) scores of YOLOv11, a leading object detection model, while previous metrics only exhibited moderate or weak correlations. Additionally, it provides actionable insights for improving dataset quality, minimizing the need for costly iterative training. This scalable and efficient metric sets a new standard for evaluating synthetic data. The code for SDQM is available at https://github.com/ayushzenith/SDQM

The sharp increase in data-related expenses has motivated research into condensing datasets while retaining the most informative features. Dataset distillation has thus recently come to the fore. This paradigm generates synthetic datasets that are representative enough to replace the original dataset in training a neural network. To avoid redundancy in these synthetic datasets, it is crucial that each element contains unique features and remains diverse from others during the synthesis stage. In this paper, we provide a thorough theoretical and empirical analysis of diversity within synthesized datasets. We argue that enhancing diversity can improve the parallelizable yet isolated synthesizing approach. Specifically, we introduce a novel method that employs dynamic and directed weight adjustment techniques to modulate the synthesis process, thereby maximizing the representativeness and diversity of each synthetic instance. Our method ensures that each batch of synthetic data mirrors the characteristics of a large, varying subset of the original dataset. Extensive experiments across multiple datasets, including CIFAR, Tiny-ImageNet, and ImageNet-1K, demonstrate the superior performance of our method, highlighting its effectiveness in producing diverse and representative synthetic datasets with minimal computational expense. Our code is available at https://github.com/AngusDujw/Diversity-Driven-Synthesis.https://github.com/AngusDujw/Diversity-Driven-Synthesis.

Signature synthesis is a computation technique that generates artificial specimens which can support decision making in automatic signature verification. A lot of work has been dedicated to this subject, which centres on synthesizing dynamic and static two-dimensional handwriting on canvas. This paper proposes a framework to generate synthetic 3D on-air signatures exploiting the lognormality principle, which mimics the complex neuromotor control processes at play as the fingertip moves. Addressing the usual cases involving the development of artificial individuals and duplicated samples, this paper contributes to the synthesis of: (1) the trajectory and velocity of entirely 3D new signatures; (2) kinematic information when only the 3D trajectory of the signature is known, and (3) duplicate samples of 3D real signatures. Validation was conducted by generating synthetic 3D signature databases mimicking real ones and showing that automatic signature verifications of genuine and skilled forgeries report performances similar to those of real and synthetic databases. We also observed that training 3D automatic signature verifiers with duplicates can reduce errors. We further demonstrated that our proposal is also valid for synthesizing 3D air writing and gestures. Finally, a perception test confirmed the human likeness of the generated specimens. The databases generated are publicly available, only for research purposes, at .

Synthetic data is becoming increasingly important for accelerating the development of language models, both large and small. Despite several successful use cases, researchers also raised concerns around model collapse and drawbacks of imitating other models. This discrepancy can be attributed to the fact that synthetic data varies in quality and diversity. Effective use of synthetic data usually requires significant human effort in curating the data. We focus on using synthetic data for post-training, specifically creating data by powerful models to teach a new skill or behavior to another model, we refer to this setting as Generative Teaching. We introduce AgentInstruct, an extensible agentic framework for automatically creating large amounts of diverse and high-quality synthetic data. AgentInstruct can create both the prompts and responses, using only raw data sources like text documents and code files as seeds. We demonstrate the utility of AgentInstruct by creating a post training dataset of 25M pairs to teach language models different skills, such as text editing, creative writing, tool usage, coding, reading comprehension, etc. The dataset can be used for instruction tuning of any base model. We post-train Mistral-7b with the data. When comparing the resulting model Orca-3 to Mistral-7b-Instruct (which uses the same base model), we observe significant improvements across many benchmarks. For example, 40% improvement on AGIEval, 19% improvement on MMLU, 54% improvement on GSM8K, 38% improvement on BBH and 45% improvement on AlpacaEval. Additionally, it consistently outperforms other models such as LLAMA-8B-instruct and GPT-3.5-turbo.

Building large, diverse datasets of high-level synthesis (HLS) designs beyond common community benchmarks remains an open challenge. This challenge is made urgent by the rise of deep learning and LLMs for hardware design, which demand such datasets to train QoR models and benchmark LLMs on HLS tasks. Despite ongoing efforts to broaden sources, dataset curation still depends on manual work: locating HLS designs across academic publications and open source, then extracting standalone designs from larger codebases. The process is error-prone and demands expert knowledge, iterative testing, and substantial per-repository engineering. To address this, we present HLSFactory-Agent, an LLM agent that automates large-scale HLS dataset curation by extracting standalone designs from larger codebases. HLSFactory-Agent runs the open-source Pi agent framework inside Docker containers to build and evaluate each extracted design. This turnkey automation allows users to pass a GitHub link or code directory to HLSFactory-Agent and receive a folder of extracted HLS designs ready to be integrated into the HLSFactory dataset framework. Additionally, we provide open-source scripts to scrape and index papers from computer architecture, EDA, and FPGA conferences that possibly implement or use HLS designs, allowing for faster human discovery and curation of HLS designs for HLSFactory-Agent. We report initial results from running HLSFactory-Agent across a small subset of our indexed repositories, demonstrating successful extraction of synthesizable designs from structured codebases. We open source HLSFactory-Agent and indexing scripts at https://github.com/sharc-lab/hlsfactory-agent.

The performance of autonomous Web GUI agents heavily relies on the quality and quantity of their training data. However, a fundamental bottleneck persists: collecting interaction trajectories from real-world websites is expensive and difficult to verify. The underlying state transitions are hidden, leading to reliance on inconsistent and costly external verifiers to evaluate step-level correctness. To address this, we propose AutoWebWorld, a novel framework for synthesizing controllable and verifiable web environments by modeling them as Finite State Machines (FSMs) and use coding agents to translate FSMs into interactive websites. Unlike real websites, where state transitions are implicit, AutoWebWorld explicitly defines all states, actions, and transition rules. This enables programmatic verification: action correctness is checked against predefined rules, and task success is confirmed by reaching a goal state in the FSM graph. AutoWebWorld enables a fully automated search-and-verify pipeline, generating over 11,663 verified trajectories from 29 diverse web environments at only $0.04 per trajectory. Training on this synthetic data significantly boosts real-world performance. Our 7B Web GUI agent outperforms all baselines within 15 steps on WebVoyager. Furthermore, we observe a clear scaling law: as the synthetic data volume increases, performance on WebVoyager and Online-Mind2Web consistently improves.

Pre-training is crucial for large language models (LLMs), as it is when most representations and capabilities are acquired. However, natural language pre-training has problems: high-quality text is finite, it contains human biases, and it entangles knowledge with reasoning. This raises a fundamental question: is natural language the only path to intelligence? We propose using neural cellular automata (NCA) to generate synthetic, non-linguistic data for pre-pre-training LLMs--training on synthetic-then-natural language. NCA data exhibits rich spatiotemporal structure and statistics resembling natural language while being controllable and cheap to generate at scale. We find that pre-pre-training on only 164M NCA tokens improves downstream language modeling by up to 6% and accelerates convergence by up to 1.6x. Surprisingly, this even outperforms pre-pre-training on 1.6B tokens of natural language from Common Crawl with more compute. These gains also transfer to reasoning benchmarks, including GSM8K, HumanEval, and BigBench-Lite. Investigating what drives transfer, we find that attention layers are the most transferable, and that optimal NCA complexity varies by domain: code benefits from simpler dynamics, while math and web text favor more complex ones. These results enable systematic tuning of the synthetic distribution to target domains. More broadly, our work opens a path toward more efficient models with fully synthetic pre-training.

The discovery of novel mechanical metamaterials, whose properties are dominated by their engineered structures rather than chemical composition, is a knowledge-intensive and resource-demanding process. To accelerate the design of novel metamaterials, we present MetaScientist, a human-in-the-loop system that integrates advanced AI capabilities with expert oversight with two primary phases: (1) hypothesis generation, where the system performs complex reasoning to generate novel and scientifically sound hypotheses, supported with domain-specific foundation models and inductive biases retrieved from existing literature; (2) 3D structure synthesis, where a 3D structure is synthesized with a novel 3D diffusion model based on the textual hypothesis and refined it with a LLM-based refinement model to achieve better structure properties. At each phase, domain experts iteratively validate the system outputs, and provide feedback and supplementary materials to ensure the alignment of the outputs with scientific principles and human preferences. Through extensive evaluation from human scientists, MetaScientist is able to deliver novel and valid mechanical metamaterial designs that have the potential to be highly impactful in the metamaterial field.

As Deep Learning algorithms continue to evolve and become more sophisticated, they require massive datasets for model training and efficacy of models. Some of those data requirements can be met with the help of existing datasets within the organizations. Current Machine Learning practices can be leveraged to generate synthetic data from an existing dataset. Further, it is well established that diversity in generated synthetic data relies on (and is perhaps limited by) statistical properties of available dataset within a single organization or entity. The more diverse an existing dataset is, the more expressive and generic synthetic data can be. However, given the scarcity of underlying data, it is challenging to collate big data in one organization. The diverse, non-overlapping dataset across distinct organizations provides an opportunity for them to contribute their limited distinct data to a larger pool that can be leveraged to further synthesize. Unfortunately, this raises data privacy concerns that some institutions may not be comfortable with. This paper proposes a novel approach to generate synthetic data - FedSyn. FedSyn is a collaborative, privacy preserving approach to generate synthetic data among multiple participants in a federated and collaborative network. FedSyn creates a synthetic data generation model, which can generate synthetic data consisting of statistical distribution of almost all the participants in the network. FedSyn does not require access to the data of an individual participant, hence protecting the privacy of participant's data. The proposed technique in this paper leverages federated machine learning and generative adversarial network (GAN) as neural network architecture for synthetic data generation. The proposed method can be extended to many machine learning problem classes in finance, health, governance, technology and many more.

Computer-aided synthesis planning (CASP) has long been envisioned as a complementary tool for synthetic chemists. However, existing frameworks often lack mechanisms to allow interaction with human experts, limiting their ability to integrate chemists' insights. In this work, we introduce Synthelite, a synthesis planning framework that uses large language models (LLMs) to directly propose retrosynthetic transformations. Synthelite can generate end-to-end synthesis routes by harnessing the intrinsic chemical knowledge and reasoning capabilities of LLMs, while allowing expert intervention through natural language prompts. Our experiments demonstrate that Synthelite can flexibly adapt its planning trajectory to diverse user-specified constraints, achieving up to 95\% success rates in both strategy-constrained and starting-material-constrained synthesis tasks. Additionally, Synthelite exhibits the ability to account for chemical feasibility during route design. We envision Synthelite to be both a useful tool and a step toward a paradigm where LLMs are the central orchestrators of synthesis planning.

Software engineers mainly write code by editing existing programs. In contrast, large language models (LLMs) autoregressively synthesize programs in a single pass. One explanation for this is the scarcity of open-sourced edit data. While high-quality instruction data for code synthesis is already scarce, high-quality edit data is even scarcer. To fill this gap, we develop a synthetic data generation algorithm called LintSeq. This algorithm refactors existing code into a sequence of code edits by using a linter to procedurally sample across the error-free insertions that can be used to sequentially write programs. It outputs edit sequences as text strings consisting of consecutive program diffs. To test LintSeq, we use it to refactor a dataset of instruction + program pairs into instruction + program-diff-sequence tuples. Then, we instruction finetune a series of smaller LLMs ranging from 2.6B to 14B parameters on both the re-factored and original versions of this dataset, comparing zero-shot performance on code synthesis benchmarks. We show that during repeated sampling, edit sequence finetuned models produce more diverse programs than baselines. This results in better inference-time scaling for benchmark coverage as a function of samples, i.e. the fraction of problems "pass@k" solved by any attempt given "k" tries. For example, on HumanEval pass@50, small LLMs finetuned on synthetic edit sequences are competitive with GPT-4 and outperform models finetuned on the baseline dataset by +20% (+/-3%) in absolute score. Finally, we also pretrain our own tiny LMs for code understanding. We show that finetuning tiny models on synthetic code edits results in state-of-the-art code synthesis for the on-device model class. Our 150M parameter edit sequence LM matches or outperforms code models with twice as many parameters, both with and without repeated sampling, including Codex and AlphaCode.

Large Language Models (LLMs) are increasingly deployed as agents that interact with stateful environments over multiple steps: gathering hidden information, composing tool calls, and committing state changes. We refer to this capability as multi-step tool use. Existing benchmarks have advanced tool-use agent evaluation, but often focus on isolated API calls, short trajectories, or settings that are difficult to scale or control. We introduce E-Bench, a fully synthetic benchmark with 323 state-changing tasks across three product domains: Honor of Kings, QQ Music, and Tencent Meeting. E-Bench decouples environment synthesis from task synthesis: graph-guided database filling builds reusable, orphan-free product environments, while generator-solver asymmetry creates tasks with both an information gap and a tool gap, requiring agents to discover hidden data and compose multiple tool calls before changing state. Outcomes are graded deterministically by database-state diffs. Since both environments and tasks are synthetic, E-Bench is controllable at the environment level and scalable at the task level. Benchmarking 11 cutting-edge LLMs shows that multi-step tool use remains challenging: Pass^3 stays below 60% for the strongest models, and even with code execution in the E-Bench-Code extension, reliability (Pass^3) remains below 70%.

Data collected from the real world tends to be biased, unbalanced, and at risk of exposing sensitive and private information. This reality has given rise to the idea of creating synthetic datasets to alleviate risk, bias, harm, and privacy concerns inherent in the real data. This concept relies on Generative AI models to produce unbiased, privacy-preserving synthetic data while being true to the real data. In this new paradigm, how can we tell if this approach delivers on its promises? We present an auditing framework that offers a holistic assessment of synthetic datasets and AI models trained on them, centered around bias and discrimination prevention, fidelity to the real data, utility, robustness, and privacy preservation. We showcase our framework by auditing multiple generative models on diverse use cases, including education, healthcare, banking, human resources, and across different modalities, from tabular, to time-series, to natural language. Our use cases demonstrate the importance of a holistic assessment in order to ensure compliance with socio-technical safeguards that regulators and policymakers are increasingly enforcing. For this purpose, we introduce the trust index that ranks multiple synthetic datasets based on their prescribed safeguards and their desired trade-offs. Moreover, we devise a trust-index-driven model selection and cross-validation procedure via auditing in the training loop that we showcase on a class of transformer models that we dub TrustFormers, across different modalities. This trust-driven model selection allows for controllable trust trade-offs in the resulting synthetic data. We instrument our auditing framework with workflows that connect different stakeholders from model development to audit and certification via a synthetic data auditing report.

Materials synthesis is vital for innovations such as energy storage, catalysis, electronics, and biomedical devices. Yet, the process relies heavily on empirical, trial-and-error methods guided by expert intuition. Our work aims to support the materials science community by providing a practical, data-driven resource. We have curated a comprehensive dataset of 17K expert-verified synthesis recipes from open-access literature, which forms the basis of our newly developed benchmark, AlchemyBench. AlchemyBench offers an end-to-end framework that supports research in large language models applied to synthesis prediction. It encompasses key tasks, including raw materials and equipment prediction, synthesis procedure generation, and characterization outcome forecasting. We propose an LLM-as-a-Judge framework that leverages large language models for automated evaluation, demonstrating strong statistical agreement with expert assessments. Overall, our contributions offer a supportive foundation for exploring the capabilities of LLMs in predicting and guiding materials synthesis, ultimately paving the way for more efficient experimental design and accelerated innovation in materials science.

Language models (LMs) are susceptible to in-context reward hacking, where they exploit flaws in tainted or faulty written specifications or rubrics to achieve high scores without fulfilling the user's true intent. We introduce Specification Self-Correction (SSC), a novel, test-time framework that enables an LM to identify and correct flaws within its own guiding specification. SSC employs a multi-step inference process where the model first generates a response based on a potentially tainted specification, critiques its output, and then revises the specification itself to remove the exploitable loophole. A final, more robust response is then generated using this self-corrected specification. Across experiments spanning creative writing and agentic coding tasks with several LMs, we demonstrate that while models initially game tainted specifications in 50-70\% of cases, the SSC process reduces this vulnerability by over 90\%. This dynamic repair occurs at inference time, requires no weight modification, and leads to more robustly aligned model behavior. Code at https://github.com/vicgalle/specification-self-correction .

High-quality long-horizon training data for terminal agents is expensive to produce, often costing hundreds to thousands of dollars per task, because each task must keep the instruction, environment, reference solution, and verifier mutually consistent. Human authoring does not scale, and direct generation with large language models (LLMs) often breaks these dependencies. We present Recursive Synthetic Terminal Tasks (RST), a recursive verified synthesis framework for constructing long-horizon terminal-agent tasks at scale. Starting from verified seed tasks, RST extends the reference solution, realigns the verifier and instruction to the new workflow, validates the result in a fresh sandbox, and reuses accepted tasks as seeds for subsequent rounds. Across fifteen recursive rounds, RST produces 37,484 synthesized terminal-agent tasks at roughly $0.05 per task. Task difficulty increases substantially over rounds: the median reference solution grows from 67 to 374 lines, the median number of executed commands grows from 40 to 244, and DeepSeek-V4-Pro pass@4 drops from 90% at R1 to 2.5% at R15. To demonstrate training utility, we collect rejection-sampled Qwen3.5 trajectories on the synthesized tasks and use them for supervised fine-tuning. Fine-tuning on these trajectories improves Qwen3.5-27B and Qwen3.5-122B-A10B by up to 10 points on Terminal-Bench 2, Terminal-Bench Hard, and Long-Horizon Terminal Bench, while agentic PPO lifts Qwen3.5-27B to 49.44%, 32.00%, and 22.07% on the three benchmarks, corresponding to relative gains of 20.0%, 41.2%, and 21.9% over the base model. Moreover, after 15 rounds, the recursion shows no ceiling: synthesis yield and validation rates remain stable as difficulty keeps climbing, indicating that the process can continue well beyond the scale reported here.

Generating synthetic data that faithfully captures the statistical structure of real-world distributions is a fundamental challenge in data modeling. Classical approaches often depend on strong parametric assumptions or manual structural design and struggle in high-dimensional or heterogeneous domains. Recent progress in Large Language Models (LLMs) reveals their potential as flexible, high-dimensional priors over real-world distributions. However, when applied to data synthesis, standard LLM-based sampling is inefficient, constrained by fixed context limits, and fails to ensure statistical alignment. Given this, we introduce LLMSynthor, a general framework for data synthesis that transforms LLMs into structure-aware simulators guided by distributional feedback. LLMSynthor treats the LLM as a nonparametric copula simulator for modeling high-order dependencies and introduces LLM Proposal Sampling to generate grounded proposal distributions that improve sampling efficiency without requiring rejection. By minimizing discrepancies in the summary statistics space, the iterative synthesis loop aligns real and synthetic data while gradually uncovering and refining the latent generative structure. We evaluate LLMSynthor in both controlled and real-world settings using heterogeneous datasets in privacy-sensitive domains (e.g., e-commerce, population, and mobility) that encompass both structured and unstructured formats. The synthetic data produced by LLMSynthor shows high statistical fidelity, practical utility, and cross-data adaptability, positioning it as a valuable tool across economics, social science, urban studies, and beyond.

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.

We propose CoT-Self-Instruct, a synthetic data generation method that instructs LLMs to first reason and plan via Chain-of-Thought (CoT) based on the given seed tasks, and then to generate a new synthetic prompt of similar quality and complexity for use in LLM training, followed by filtering for high-quality data with automatic metrics. In verifiable reasoning, our synthetic data significantly outperforms existing training datasets, such as s1k and OpenMathReasoning, across MATH500, AMC23, AIME24 and GPQA-Diamond. For non-verifiable instruction-following tasks, our method surpasses the performance of human or standard self-instruct prompts on both AlpacaEval 2.0 and Arena-Hard.

In recent years, speech generation technology has advanced rapidly, fueled by generative models and large-scale training techniques. While these developments have enabled the production of high-quality synthetic speech, they have also raised concerns about the misuse of this technology, particularly for generating synthetic misinformation. Current research primarily focuses on distinguishing machine-generated speech from human-produced speech, but the more urgent challenge is detecting misinformation within spoken content. This task requires a thorough analysis of factors such as speaker identity, topic, and synthesis. To address this need, we conduct an initial investigation into synthetic spoken misinformation detection by introducing an open-source dataset, SpMis. SpMis includes speech synthesized from over 1,000 speakers across five common topics, utilizing state-of-the-art text-to-speech systems. Although our results show promising detection capabilities, they also reveal substantial challenges for practical implementation, underscoring the importance of ongoing research in this critical area.

Equipping LLMs with tool-use capabilities via Agentic Reinforcement Learning (Agentic RL) is bottlenecked by two challenges: the lack of scalable, robust execution environments and the scarcity of realistic training data that captures implicit human reasoning. Existing approaches depend on costly real-world APIs, hallucination-prone LLM simulators, or synthetic environments that are often single-turn or depend on pre-collected documents. Moreover, synthetic trajectories are frequently over-specified, resembling instruction sequences rather than natural human intents, reducing their effectiveness for RL training. We introduce EnvFactory, a fully automated framework that addresses both challenges. EnvFactory autonomously explores and verifies stateful, executable tool environments from authentic resources, and synthesizes natural multi-turn trajectories through topology-aware sampling and calibrated refinement, producing grounded queries with implicit intents. Using only 85 verified environments across 7 domains, EnvFactory generates 2,575 SFT and RL trajectories. Despite using significantly fewer environments than prior work, which are often 5 times more, EnvFactory achieves superior training efficiency and downstream performance, improving Qwen3-series models by up to +15% on BFCLv3, +8.6% on MCP-Atlas, and +6% on conversational benchmarks including τ^2-Bench and VitaBench. By fully automating both environment construction and trajectory synthesis, EnvFactory provides a scalable, extensible, and robust foundation for Agentic RL.

In this paper, we present an effective data augmentation framework leveraging the Large Language Model (LLM) and Diffusion Model (DM) to tackle the challenges inherent in data-scarce scenarios. Recently, DMs have opened up the possibility of generating synthetic images to complement a few training images. However, increasing the diversity of synthetic images also raises the risk of generating samples outside the target distribution. Our approach addresses this issue by embedding novel semantic information into text prompts via LLM and utilizing real images as visual prompts, thus generating semantically rich images. To ensure that the generated images remain within the target distribution, we dynamically adjust the guidance weight based on each image's CLIPScore to control the diversity. Experimental results show that our method produces synthetic images with enhanced diversity while maintaining adherence to the target distribution. Consequently, our approach proves to be more efficient in the few-shot setting on several benchmarks. Our code is available at https://github.com/kkyuhun94/dalda .

We present the first unified, modular, open-source 3DGS-based simulation framework for Real2Sim2Real robot learning. It features a holistic Real2Sim pipeline that synthesizes hyper-realistic geometry and appearance of complex real-world scenarios, paving the way for analyzing and bridging the Sim2Real gap. Powered by Gaussian Splatting and MuJoCo, Discoverse enables massively parallel simulation of multiple sensor modalities and accurate physics, with inclusive supports for existing 3D assets, robot models, and ROS plugins, empowering large-scale robot learning and complex robotic benchmarks. Through extensive experiments on imitation learning, Discoverse demonstrates state-of-the-art zero-shot Sim2Real transfer performance compared to existing simulators. For code and demos: https://air-discoverse.github.io/.

Recent image generation models such as Stable Diffusion have exhibited an impressive ability to generate fairly realistic images starting from a simple text prompt. Could such models render real images obsolete for training image prediction models? In this paper, we answer part of this provocative question by investigating the need for real images when training models for ImageNet classification. Provided only with the class names that have been used to build the dataset, we explore the ability of Stable Diffusion to generate synthetic clones of ImageNet and measure how useful these are for training classification models from scratch. We show that with minimal and class-agnostic prompt engineering, ImageNet clones are able to close a large part of the gap between models produced by synthetic images and models trained with real images, for the several standard classification benchmarks that we consider in this study. More importantly, we show that models trained on synthetic images exhibit strong generalization properties and perform on par with models trained on real data for transfer. Project page: https://europe.naverlabs.com/imagenet-sd/

Large Language Models (LLMs) are reshaping almost all industries, including software engineering. In recent years, a number of LLM agents have been proposed to solve real-world software problems. Such software agents are typically equipped with a suite of coding tools and can autonomously decide the next actions to form complete trajectories to solve end-to-end software tasks. While promising, they typically require dedicated design and may still be suboptimal, since it can be extremely challenging and costly to exhaust the entire agent scaffold design space. Recognizing that software agents are inherently software themselves that can be further refined/modified, researchers have proposed a number of self-improving software agents recently, including the Darwin-Gödel Machine (DGM). Meanwhile, such self-improving agents require costly offline training on specific benchmarks and may not generalize well across different LLMs or benchmarks. In this paper, we propose Live-SWE-agent, the first live software agent that can autonomously and continuously evolve itself on-the-fly during runtime when solving real-world software problems. More specifically, Live-SWE-agent starts with the most basic agent scaffold with only access to bash tools (e.g., mini-SWE-agent), and autonomously evolves its own scaffold implementation while solving real-world software problems. Our evaluation on the widely studied SWE-bench Verified benchmark shows that Live-SWE-agent can achieve an impressive solve rate of 75.4% without test-time scaling, outperforming all existing open-source software agents and approaching the performance of the best proprietary solution. Moreover, Live-SWE-agent outperforms state-of-the-art manually crafted software agents on the recent SWE-Bench Pro benchmark, achieving the best-known solve rate of 45.8%.

The rapid development of Large Language Models (LLMs) has led to great strides in model capabilities like reasoning and long-context understanding. However, as LLMs are able to process longer contexts, it becomes more challenging to evaluate whether they have acquired certain capabilities, since the length of text (e.g., 100K tokens) they can process far exceeds what humans can reliably assess in a reasonable duration. In this paper, we propose using complex synthetic tasks as a proxy evaluation method, and present S3Eval, a Synthetic, Scalable, Systematic evaluation suite for LLMs evaluation. As a synthetic benchmark, S3Eval enables the creation of any number of evaluation examples that are theoretically invisible to LLMs, mitigating the test set contamination issue. The synthetic nature of S3Eval provides users full control over the dataset, allowing them to systematically probe LLM capabilities by scaling text length and varying task difficulty across diverse scenarios. The strong correlation between S3Eval performance and scores of real-world benchmarks like Big-Bench Hard (BBH) demonstrates the soundness of using S3Eval for evaluation of LLMs. The in-depth analysis also uncover additional insights, including performance drop when the answer is sparsely distributed or located in the middle context, as well as some counter-intuitive trends of model performance.

Large language model (LLM)-based agentic frameworks increasingly adopt the paradigm of dynamically generating task-specific agents. We suggest that not only agents but also specialized software modules for scientific and engineering tasks can be generated on demand. We demonstrate this concept in the field of solid mechanics. There, so-called constitutive models are required to describe the relationship between mechanical stress and body deformation. Constitutive models are essential for both the scientific understanding and industrial application of materials. However, even recent data-driven methods of constitutive modeling, such as constitutive artificial neural networks (CANNs), still require substantial expert knowledge and human labor. We present a framework in which an LLM generates a CANN on demand, tailored to a given material class and dataset provided by the user. The framework covers LLM-based architecture selection, integration of physical constraints, and complete code generation. Evaluation on three benchmark problems demonstrates that LLM-generated CANNs achieve accuracy comparable to or greater than manually engineered counterparts, while also exhibiting reliable generalization to unseen loading scenarios and extrapolation to large deformations. These findings indicate that LLM-based generation of physics-constrained neural networks can substantially reduce the expertise required for constitutive modeling and represent a step toward practical end-to-end automation.

Current state-of-the-art (SOTA) codec-based audio synthesis systems can mimic anyone's voice with just a 3-second sample from that specific unseen speaker. Unfortunately, malicious attackers may exploit these technologies, causing misuse and security issues. Anti-spoofing models have been developed to detect fake speech. However, the open question of whether current SOTA anti-spoofing models can effectively counter deepfake audios from codec-based speech synthesis systems remains unanswered. In this paper, we curate an extensive collection of contemporary SOTA codec models, employing them to re-create synthesized speech. This endeavor leads to the creation of CodecFake, the first codec-based deepfake audio dataset. Additionally, we verify that anti-spoofing models trained on commonly used datasets cannot detect synthesized speech from current codec-based speech generation systems. The proposed CodecFake dataset empowers these models to counter this challenge effectively.

Given the increasing adoption of modern AI-enabled control systems, ensuring their safety and reliability has become a critical task in software testing. One prevalent approach to testing control systems is falsification, which aims to find an input signal that causes the control system to violate a formal safety specification using optimization algorithms. However, applying falsification to AI-enabled control systems poses two significant challenges: (1)~it requires the system to execute numerous candidate test inputs, which can be time-consuming, particularly for systems with AI models that have many parameters, and (2)~multiple safety requirements are typically defined as a conjunctive specification, which is difficult for existing falsification approaches to comprehensively cover. This paper introduces Synthify, a falsification framework tailored for AI-enabled control systems. Our approach performs falsification in a two-phase process. At the start, Synthify synthesizes a program that implements one or a few linear controllers to serve as a proxy for the AI controller. This proxy program mimics the AI controller's functionality but is computationally more efficient. Then, Synthify employs the ε-greedy strategy to sample a promising sub-specification from the conjunctive safety specification. It then uses a Simulated Annealing-based falsification algorithm to find violations of the sampled sub-specification for the control system. To evaluate Synthify, we compare it to PSY-TaLiRo, a state-of-the-art and industrial-strength falsification tool, on 8 publicly available control systems. On average, Synthify achieves a 83.5% higher success rate in falsification compared to PSY-TaLiRo with the same budget of falsification trials. The safety violations found by Synthify are also more diverse than those found by PSY-TaLiRo, covering 137.7% more sub-specifications.

The modeling of industrial scenes is essential for simulations in industrial manufacturing. While large language models (LLMs) have shown significant progress in generating general 3D scenes from textual descriptions, generating industrial scenes with LLMs poses a unique challenge due to their demand for precise measurements and positioning, requiring complex planning over spatial arrangement. To address this challenge, we introduce SceneGenAgent, an LLM-based agent for generating industrial scenes through C# code. SceneGenAgent ensures precise layout planning through a structured and calculable format, layout verification, and iterative refinement to meet the quantitative requirements of industrial scenarios. Experiment results demonstrate that LLMs powered by SceneGenAgent exceed their original performance, reaching up to 81.0% success rate in real-world industrial scene generation tasks and effectively meeting most scene generation requirements. To further enhance accessibility, we construct SceneInstruct, a dataset designed for fine-tuning open-source LLMs to integrate into SceneGenAgent. Experiments show that fine-tuning open-source LLMs on SceneInstruct yields significant performance improvements, with Llama3.1-70B approaching the capabilities of GPT-4o. Our code and data are available at https://github.com/THUDM/SceneGenAgent .

Embodied AI (EAI) research requires high-quality, diverse 3D scenes to effectively support skill acquisition, sim-to-real transfer, and generalization. Achieving these quality standards, however, necessitates the precise replication of real-world object diversity. Existing datasets demonstrate that this process heavily relies on artist-driven designs, which demand substantial human effort and present significant scalability challenges. To scalably produce realistic and interactive 3D scenes, we first present MetaScenes, a large-scale, simulatable 3D scene dataset constructed from real-world scans, which includes 15366 objects spanning 831 fine-grained categories. Then, we introduce Scan2Sim, a robust multi-modal alignment model, which enables the automated, high-quality replacement of assets, thereby eliminating the reliance on artist-driven designs for scaling 3D scenes. We further propose two benchmarks to evaluate MetaScenes: a detailed scene synthesis task focused on small item layouts for robotic manipulation and a domain transfer task in vision-and-language navigation (VLN) to validate cross-domain transfer. Results confirm MetaScene's potential to enhance EAI by supporting more generalizable agent learning and sim-to-real applications, introducing new possibilities for EAI research. Project website: https://meta-scenes.github.io/.

Matched molecular pairs (MMPs) capture the local chemical edits that medicinal chemists routinely use to design analogs, but existing ML approaches either operate at the whole-molecule level with limited edit controllability or learn MMP-style edits from restricted settings and small models. We propose a variable-to-variable formulation of analog generation and train a foundation model on large-scale MMP transformations (MMPTs) to generate diverse variables conditioned on an input variable. To enable practical control, we develop prompting mechanisms that let the users specify preferred transformation patterns during generation. We further introduce MMPT-RAG, a retrieval-augmented framework that uses external reference analogs as contextual guidance to steer generation and generalize from project-specific series. Experiments on general chemical corpora and patent-specific datasets demonstrate improved diversity, novelty, and controllability, and show that our method recovers realistic analog structures in practical discovery scenarios.

While recent LLM-based terminal agents have demonstrated promising capabilities, the scarcity of high-quality, executable training data remains a critical bottleneck. Existing synthesis pipelines typically scale by retrofitting surface-level artifacts into tasks, frequently yielding ambiguous instructions, shallow execution paths, and brittle tests that provide weak learning signals. To overcome this, we introduce CLI-Universe, a principled synthesis engine that constructs terminal-agent tasks. CLI-Universe generates candidate tasks by sampling combinations across a multi-dimensional capability taxonomy (domain, skill type, capability, and engineering pillar), then grounds each candidate through evidence-guided deep research over real-world technical materials. To ensure rigorous supervision, validated blueprints are instantiated into Dockerized environments and subjected to a multi-stage executable verification pipeline featuring rubric-gated test construction, hint-conditional filtering, and strict fail-to-pass checking. Across the full pipeline, from candidate generation to verification, approximately two-thirds of candidates are discarded, retaining only those that are genuine, verifiable, and non-trivially challenging. To validate our framework, we instantiate a highly distilled dataset of 6,000 trajectories called CLI-Universe-6K. Remarkably, fine-tuning Qwen3-32B on CLI-Universe-6K achieves 33.4% on Terminal-Bench 2.0. This sets a new state-of-the-art for models trained on open-source data at or below 32B parameters, and outperforms several models an order of magnitude larger, demonstrating the profound data efficiency of structured, high-fidelity synthesis.

Real-world data collection for robotics is costly and resource-intensive, requiring skilled operators and expensive hardware. Simulations offer a scalable alternative but often fail to achieve sim-to-real generalization due to geometric and visual gaps. To address these challenges, we propose a 3D-photorealistic real-to-sim system, namely, RE^3SIM, addressing geometric and visual sim-to-real gaps. RE^3SIM employs advanced 3D reconstruction and neural rendering techniques to faithfully recreate real-world scenarios, enabling real-time rendering of simulated cross-view cameras within a physics-based simulator. By utilizing privileged information to collect expert demonstrations efficiently in simulation, and train robot policies with imitation learning, we validate the effectiveness of the real-to-sim-to-real pipeline across various manipulation task scenarios. Notably, with only simulated data, we can achieve zero-shot sim-to-real transfer with an average success rate exceeding 58%. To push the limit of real-to-sim, we further generate a large-scale simulation dataset, demonstrating how a robust policy can be built from simulation data that generalizes across various objects. Codes and demos are available at: http://xshenhan.github.io/Re3Sim/.

Large Language Models (LLMs) have demonstrated remarkable proficiency in generating code. However, the misuse of LLM-generated (synthetic) code has raised concerns in both educational and industrial contexts, underscoring the urgent need for synthetic code detectors. Existing methods for detecting synthetic content are primarily designed for general text and struggle with code due to the unique grammatical structure of programming languages and the presence of numerous ''low-entropy'' tokens. Building on this, our work proposes a novel zero-shot synthetic code detector based on the similarity between the original code and its LLM-rewritten variants. Our method is based on the observation that differences between LLM-rewritten and original code tend to be smaller when the original code is synthetic. We utilize self-supervised contrastive learning to train a code similarity model and evaluate our approach on two synthetic code detection benchmarks. Our results demonstrate a significant improvement over existing SOTA synthetic content detectors, with AUROC scores increasing by 20.5% on the APPS benchmark and 29.1% on the MBPP benchmark.

Molecular Dynamics (MD) is a powerful computational microscope for probing protein functions. However, the need for fine-grained integration and the long timescales of biomolecular events make MD computationally expensive. To address this, several generative models have been proposed to generate surrogate trajectories at lower cost. Yet, these models typically learn a fixed-lag transition density, causing the training signal to be dominated by frequent but uninformative transitions. We introduce a new class of generative models, MSM Emulators, which instead learn to sample transitions across discrete states defined by an underlying Markov State Model (MSM). We instantiate this class with Markov Space Flow Matching (MarS-FM), whose sampling offers more than two orders of magnitude speedup compared to implicit- or explicit-solvent MD simulations. We benchmark Mars-FM ability to reproduce MD statistics through structural observables such as RMSD, radius of gyration, and secondary structure content. Our evaluation spans protein domains (up to 500 residues) with significant chemical and structural diversity, including unfolding events, and enforces strict sequence dissimilarity between training and test sets to assess generalization. Across all metrics, MarS-FM outperforms existing methods, often by a substantial margin.

Large language models (LLMs) have enabled powerful advances in natural language understanding and generation. Yet their application to complex, real-world scientific workflows remain limited by challenges in memory, planning, and tool integration. Here, we introduce SciBORG (Scientific Bespoke Artificial Intelligence Agents Optimized for Research Goals), a modular agentic framework that allows LLM-based agents to autonomously plan, reason, and achieve robust and reliable domain-specific task execution. Agents are constructed dynamically from source code documentation and augmented with finite-state automata (FSA) memory, enabling persistent state tracking and context-aware decision-making. This approach eliminates the need for manual prompt engineering and allows for robust, scalable deployment across diverse applications via maintaining context across extended workflows and to recover from tool or execution failures. We validate SciBORG through integration with both physical and virtual hardware, such as microwave synthesizers for executing user-specified reactions, with context-aware decision making and demonstrate its use in autonomous multi-step bioassay retrieval from the PubChem database utilizing multi-step planning, reasoning, agent-to-agent communication and coordination for execution of exploratory tasks. Systematic benchmarking shows that SciBORG agents achieve reliable execution, adaptive planning, and interpretable state transitions. Our results show that memory and state awareness are critical enablers of agentic planning and reliability, offering a generalizable foundation for deploying AI agents in complex environments.

Large language models (LLMs) are expected to be trained to act as agents in various real-world environments, but this process relies on rich and varied tool-interaction sandboxes. However, access to real systems is often restricted; LLM-simulated environments are prone to hallucinations and inconsistencies; and manually built sandboxes are hard to scale. In this paper, we propose EnvScaler, an automated framework for scalable tool-interaction environments via programmatic synthesis. EnvScaler comprises two components. First, SkelBuilder constructs diverse environment skeletons through topic mining, logic modeling, and quality evaluation. Then, ScenGenerator generates multiple task scenarios and rule-based trajectory validation functions for each environment. With EnvScaler, we synthesize 191 environments and about 7K scenarios, and apply them to Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL) for Qwen3 series models. Results on three benchmarks show that EnvScaler significantly improves LLMs' ability to solve tasks in complex environments involving multi-turn, multi-tool interactions. We release our code and data at https://github.com/RUC-NLPIR/EnvScaler.

We investigate how to enhance the physical fidelity of video generation models by leveraging synthetic videos derived from computer graphics pipelines. These rendered videos respect real-world physics, such as maintaining 3D consistency, and serve as a valuable resource that can potentially improve video generation models. To harness this potential, we propose a solution that curates and integrates synthetic data while introducing a method to transfer its physical realism to the model, significantly reducing unwanted artifacts. Through experiments on three representative tasks emphasizing physical consistency, we demonstrate its efficacy in enhancing physical fidelity. While our model still lacks a deep understanding of physics, our work offers one of the first empirical demonstrations that synthetic video enhances physical fidelity in video synthesis. Website: https://kevinz8866.github.io/simulation/