Daily Papers

This paper presents fairseq S^2, a fairseq extension for speech synthesis. We implement a number of autoregressive (AR) and non-AR text-to-speech models, and their multi-speaker variants. To enable training speech synthesis models with less curated data, a number of preprocessing tools are built and their importance is shown empirically. To facilitate faster iteration of development and analysis, a suite of automatic metrics is included. Apart from the features added specifically for this extension, fairseq S^2 also benefits from the scalability offered by fairseq and can be easily integrated with other state-of-the-art systems provided in this framework. The code, documentation, and pre-trained models are available at https://github.com/pytorch/fairseq/tree/master/examples/speech_synthesis.

The scope of neural code intelligence is rapidly expanding beyond text-based source code to encompass the rich visual outputs that programs generate. This visual dimension is critical for advanced applications like flexible content generation and precise, program-driven editing of visualizations. However, progress has been impeded by the scarcity of high-quality multimodal code data, a bottleneck stemming from challenges in synthesis and quality assessment. To address these challenges, we make contributions from both a data and modeling perspective. We first introduce a complete synthesis toolkit that leverages reciprocal synergies between data modalities to efficiently produce a large-scale, high-quality corpus spanning from standard charts to complex interactive web UIs and code-driven animations. Leveraging this toolkit, we construct JanusCode-800K, the largest multimodal code corpus to date. This powers the training of our models, JanusCoder and JanusCoderV, which establish a visual-programmatic interface for generating code from textual instructions, visual inputs, or a combination of both. Our unified model is a departure from existing approaches that build specialized models for isolated tasks. Extensive experiments on both text-centric and vision-centric coding tasks demonstrate the superior performance of the JanusCoder series, with our 7B to 14B scale models approaching or even exceeding the performance of commercial models. Furthermore, extensive analysis provides key insights into harmonizing programmatic logic with its visual expression. Our code and checkpoints will are available at https://github.com/InternLM/JanusCoder.

This research presents Muskits-ESPnet, a versatile toolkit that introduces new paradigms to Singing Voice Synthesis (SVS) through the application of pretrained audio models in both continuous and discrete approaches. Specifically, we explore discrete representations derived from SSL models and audio codecs and offer significant advantages in versatility and intelligence, supporting multi-format inputs and adaptable data processing workflows for various SVS models. The toolkit features automatic music score error detection and correction, as well as a perception auto-evaluation module to imitate human subjective evaluating scores. Muskits-ESPnet is available at https://github.com/espnet/espnet.

The rapid advancement in AI-generated video synthesis has led to a growth demand for standardized and effective evaluation metrics. Existing metrics lack a unified framework for systematically categorizing methodologies, limiting a holistic understanding of the evaluation landscape. Additionally, fragmented implementations and the absence of standardized interfaces lead to redundant processing overhead. Furthermore, many prior approaches are constrained by dataset-specific dependencies, limiting their applicability across diverse video domains. To address these challenges, we introduce AIGVE-Tool (AI-Generated Video Evaluation Toolkit), a unified framework that provides a structured and extensible evaluation pipeline for a comprehensive AI-generated video evaluation. Organized within a novel five-category taxonomy, AIGVE-Tool integrates multiple evaluation methodologies while allowing flexible customization through a modular configuration system. Additionally, we propose AIGVE-Bench, a large-scale benchmark dataset created with five SOTA video generation models based on hand-crafted instructions and prompts. This dataset systematically evaluates various video generation models across nine critical quality dimensions. Extensive experiments demonstrate the effectiveness of AIGVE-Tool in providing standardized and reliable evaluation results, highlighting specific strengths and limitations of current models and facilitating the advancements of next-generation AI-generated video techniques.

Evaluating text-to-image and text-to-video models is challenging due to a fundamental disconnect: established metrics fail to jointly measure visual quality and semantic alignment with text, leading to a poor correlation with human judgments. To address this critical issue, we propose cFreD, a general metric based on a Conditional Fréchet Distance that unifies the assessment of visual fidelity and text-prompt consistency into a single score. Existing metrics such as Fréchet Inception Distance (FID) capture image quality but ignore text conditioning while alignment scores such as CLIPScore are insensitive to visual quality. Furthermore, learned preference models require constant retraining and are unlikely to generalize to novel architectures or out-of-distribution prompts. Through extensive experiments across multiple recently proposed text-to-image models and diverse prompt datasets, cFreD exhibits a higher correlation with human judgments compared to statistical metrics , including metrics trained with human preferences. Our findings validate cFreD as a robust, future-proof metric for the systematic evaluation of text conditioned models, standardizing benchmarking in this rapidly evolving field. We release our evaluation toolkit and benchmark.

We show that the basic classification framework alone can be used to tackle some of the most challenging tasks in image synthesis. In contrast to other state-of-the-art approaches, the toolkit we develop is rather minimal: it uses a single, off-the-shelf classifier for all these tasks. The crux of our approach is that we train this classifier to be adversarially robust. It turns out that adversarial robustness is precisely what we need to directly manipulate salient features of the input. Overall, our findings demonstrate the utility of robustness in the broader machine learning context. Code and models for our experiments can be found at https://git.io/robust-apps.

Reinforcement learning (RL) for terminal agents needs executable training environments with reliable rewards and useful difficulty. Fixed recipes such as few-shot, Self-Instruct, and Evol-Instruct apply the same prompting policy to every seed, even when the current policy would benefit from a harder, easier, or simply different task. We present Envs-FORGE, a prompting policy that converts verifier rewards into per-seed environment-synthesis actions. Envs-FORGE estimates seed pass rates, scores six projection--direction actions around a target learning frontier, and solves a per-seed mixed-integer linear program (MILP) to choose the action that conditions generation. The selected action drives synchronized rewriting of the instruction, fixtures, oracle solution, tests, and Docker environment; only gold-verified bundles enter RL training. The indexed MILP form also supports optional soft skill coverage for portfolio planning. On Qwen 3.5 35B, Envs-FORGE improves Pass@1 over Base by 9.2 percentage points on tb-core (40.0% to 49.2%) and 6.4 points on tb-2.0 (23.0% to 29.4%), exceeding the strongest fixed-recipe baseline by 2.4 and 2.1 points. It reaches 77.1% on SWE-bench Verified versus 73.4% for Base, and improves tb-core by 6.8--9.2 points across the evaluated 4B--35B models. All synthesis methods export 100 verified environments and use 2.27M--2.88M synthesis tokens, placing the comparison at the same downstream training-set size and the same operational scale. The source code is available at https://github.com/DataArcTech/DataArc-SynData-Toolkit/.

With the emergence of diffusion models and rapid development in image processing, it has become effortless to generate fancy images in tasks such as style transfer and image editing. However, these impressive image processing approaches face consistency issues in video processing. In this paper, we propose a powerful model-free toolkit called FastBlend to address the consistency problem for video processing. Based on a patch matching algorithm, we design two inference modes, including blending and interpolation. In the blending mode, FastBlend eliminates video flicker by blending the frames within a sliding window. Moreover, we optimize both computational efficiency and video quality according to different application scenarios. In the interpolation mode, given one or more keyframes rendered by diffusion models, FastBlend can render the whole video. Since FastBlend does not modify the generation process of diffusion models, it exhibits excellent compatibility. Extensive experiments have demonstrated the effectiveness of FastBlend. In the blending mode, FastBlend outperforms existing methods for video deflickering and video synthesis. In the interpolation mode, FastBlend surpasses video interpolation and model-based video processing approaches. The source codes have been released on GitHub.

In this work, we introduce VERSA, a unified and standardized evaluation toolkit designed for various speech, audio, and music signals. The toolkit features a Pythonic interface with flexible configuration and dependency control, making it user-friendly and efficient. With full installation, VERSA offers 63 metrics with 711 metric variations based on different configurations. These metrics encompass evaluations utilizing diverse external resources, including matching and non-matching reference audio, text transcriptions, and text captions. As a lightweight yet comprehensive toolkit, VERSA is versatile to support the evaluation of a wide range of downstream scenarios. To demonstrate its capabilities, this work highlights example use cases for VERSA, including audio coding, speech synthesis, speech enhancement, singing synthesis, and music generation. The toolkit is available at https://github.com/shinjiwlab/versa.

Planar metasurfaces can profoundly control electromagnetic scattering. At microwave frequencies, such devices are typically implemented using multilayer cascades of patterned metallic sheets, whose design often requires time-consuming full-wave optimization. Here, we extend analytical models originally developed for sparse loaded-wire metagratings to accurately describe densely packed Jerusalem-cross meta-atoms embedded in standard printed circuit board (PCB) dielectric stacks. The model captures both near- and far-field coupling within and between layers, enabling efficient prediction of the dual-polarized response. Using this framework, we identify highly transmissive meta-atoms whose phase is controlled by the leg lengths of the Jerusalem crosses (microscopic design stage). This (phase)-(leg-length) "lookup table" allows rapid synthesis of Huygens' metasurfaces (macroscopic design stage), demonstrated through a full-wave-validated metalens exhibiting low-reflection beam manipulation. Notably, we implement a judicious scaling method to further extend the model to predict wideband meta-atom responses. In the companion paper (Part II), a hybrid machine-learning approach leverages this semianalytical framework to enhance accuracy without requiring the conventional exhaustive full-wave training, enabling ultrafast inverse design across the full parameter space. Overall, the presented methodology -- the standalone semianlytical scheme (Part I) and the machine-learning enhanced version (Part II) -- establishes an effective open-source toolkit for versatile, rapid, and highly accurate synthesis of fabrication-ready dual-polarized transmissive Huygens' meta-atoms and metasurfaces.

Leveraging new data sources is a key step in accelerating the pace of materials design and discovery. To complement the strides in synthesis planning driven by historical, experimental, and computed data, we present an automated method for connecting scientific literature to synthesis insights. Starting from natural language text, we apply word embeddings from language models, which are fed into a named entity recognition model, upon which a conditional variational autoencoder is trained to generate syntheses for arbitrary materials. We show the potential of this technique by predicting precursors for two perovskite materials, using only training data published over a decade prior to their first reported syntheses. We demonstrate that the model learns representations of materials corresponding to synthesis-related properties, and that the model's behavior complements existing thermodynamic knowledge. Finally, we apply the model to perform synthesizability screening for proposed novel perovskite compounds.

In this study, we present seg2med, an advanced medical image synthesis framework that uses Denoising Diffusion Probabilistic Models (DDPM) to generate high-quality synthetic medical images conditioned on anatomical masks from TotalSegmentator. The framework synthesizes CT and MR images from segmentation masks derived from real patient data and XCAT digital phantoms, achieving a Structural Similarity Index Measure (SSIM) of 0.94 +/- 0.02 for CT and 0.89 +/- 0.04 for MR images compared to ground-truth images of real patients. It also achieves a Feature Similarity Index Measure (FSIM) of 0.78 +/- 0.04 for CT images from XCAT. The generative quality is further supported by a Fr\'echet Inception Distance (FID) of 3.62 for CT image generation. Additionally, seg2med can generate paired CT and MR images with consistent anatomical structures and convert images between CT and MR modalities, achieving SSIM values of 0.91 +/- 0.03 for MR-to-CT and 0.77 +/- 0.04 for CT-to-MR conversion. Despite the limitations of incomplete anatomical details in segmentation masks, the framework shows strong performance in cross-modality synthesis and multimodal imaging. seg2med also demonstrates high anatomical fidelity in CT synthesis, achieving a mean Dice coefficient greater than 0.90 for 11 abdominal organs and greater than 0.80 for 34 organs out of 59 in 58 test cases. The highest Dice of 0.96 +/- 0.01 was recorded for the right scapula. Leveraging the TotalSegmentator toolkit, seg2med enables segmentation mask generation across diverse datasets, supporting applications in clinical imaging, data augmentation, multimodal synthesis, and diagnostic algorithm development.

Computational synthesis planning approaches have achieved recent success in organic chemistry, where tabulated synthesis procedures are readily available for supervised learning. The syntheses of inorganic materials, however, exist primarily as natural language narratives contained within scientific journal articles. This synthesis information must first be extracted from the text in order to enable analogous synthesis planning methods for inorganic materials. In this work, we present a system for automatically extracting structured representations of synthesis procedures from the texts of materials science journal articles that describe explicit, experimental syntheses of inorganic compounds. We define the structured representation as a set of linked events made up of extracted scientific entities and evaluate two unsupervised approaches for extracting these structures on expert-annotated articles: a strong heuristic baseline and a generative model of procedural text. We also evaluate a variety of supervised models for extracting scientific entities. Our results provide insight into the nature of the data and directions for further work in this exciting new area of research.

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.

Large language models (LLMs) are versatile and can address many tasks, but for computational efficiency, it is often desirable to distill their capabilities into smaller student models. One way to do this for classification tasks is via dataset synthesis, which can be accomplished by generating examples of each label from the LLM. Prior approaches to synthesis use few-shot prompting, which relies on the LLM's parametric knowledge to generate usable examples. However, this leads to issues of repetition, bias towards popular entities, and stylistic differences from human text. In this work, we propose Synthesize by Retrieval and Refinement (SynthesizRR), which uses retrieval augmentation to introduce variety into the dataset synthesis process: as retrieved passages vary, the LLM is "seeded" with different content to generate its examples. We empirically study the synthesis of six datasets, covering topic classification, sentiment analysis, tone detection, and humor, requiring complex synthesis strategies. We find SynthesizRR greatly improves lexical and semantic diversity, similarity to human-written text, and distillation performance, when compared to standard 32-shot prompting and six baseline approaches.

Large language models (LLMs) have been widely adopted for synthetic data generation, significantly reducing annotation costs. However, most existing studies treat synthesis as a set of isolated tasks and overlook a more fundamental question: whether a model can learn to synthesize by accumulating experience from past tasks and transferring it to future ones. In this work, we introduce StreamSynth, a new setting in which synthesis tasks arrive sequentially and experience from historical tasks provides informative signals for future synthesis. To address this setting, we propose SynLearner, a general framework that enables synthesis models to acquire reusable synthesis experience over a task stream. Instead of generating data independently for each task, SynLearner encourages the model to explore diverse synthesis patterns, learn from feedback, and balance sample quality with set-level diversity as tasks evolve. Extensive experiments across multiple benchmarks show that SynLearner effectively leverages experience from earlier tasks to improve synthesis performance on later ones, exhibiting consistent cross-task transferability. These findings provide evidence for the feasibility of StreamSynth and highlight synthetic data generation as an experience-driven process that can benefit from task streams.

In this paper we present SynKB, an open-source, automatically extracted knowledge base of chemical synthesis protocols. Similar to proprietary chemistry databases such as Reaxsys, SynKB allows chemists to retrieve structured knowledge about synthetic procedures. By taking advantage of recent advances in natural language processing for procedural texts, SynKB supports more flexible queries about reaction conditions, and thus has the potential to help chemists search the literature for conditions used in relevant reactions as they design new synthetic routes. Using customized Transformer models to automatically extract information from 6 million synthesis procedures described in U.S. and EU patents, we show that for many queries, SynKB has higher recall than Reaxsys, while maintaining high precision. We plan to make SynKB available as an open-source tool; in contrast, proprietary chemistry databases require costly subscriptions.

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.

The ability to research and synthesize knowledge is central to human expertise and progress. An emerging class of systems promises these exciting capabilities through generative research synthesis, performing retrieval over the live web and synthesizing discovered sources into long-form, cited summaries. However, evaluating such systems remains an open challenge: existing question-answering benchmarks focus on short-form factual responses, while expert-curated datasets risk staleness and data contamination. Both fail to capture the complexity and evolving nature of real research synthesis tasks. In this work, we introduce DeepScholar-bench, a live benchmark and holistic, automated evaluation framework designed to evaluate generative research synthesis. DeepScholar-bench draws queries from recent, high-quality ArXiv papers and focuses on a real research synthesis task: generating the related work sections of a paper by retrieving, synthesizing, and citing prior research. Our evaluation framework holistically assesses performance across three key dimensions, knowledge synthesis, retrieval quality, and verifiability. We also develop DeepScholar-base, a reference pipeline implemented efficiently using the LOTUS API. Using the DeepScholar-bench framework, we perform a systematic evaluation of prior open-source systems, search AI's, OpenAI's DeepResearch, and DeepScholar-base. We find that DeepScholar-base establishes a strong baseline, attaining competitive or higher performance than each other method. We also find that DeepScholar-bench remains far from saturated, with no system exceeding a score of 19% across all metrics. These results underscore the difficulty of DeepScholar-bench, as well as its importance for progress towards AI systems capable of generative research synthesis. We make our code available at https://github.com/guestrin-lab/deepscholar-bench.

The scarcity of high-quality, knowledge-intensive training data hinders the development of large language models (LLMs), as traditional corpora provide limited information. Previous studies have synthesized and integrated corpora-dependent question-answering (QA) data to improve model performance but face challenges in QA data scalability and knowledge diversity, particularly in cross-domain contexts. Furthermore, leveraging our designed discipline and difficulty annotation system, we probe model deficiencies in STEM disciplines and high-difficulty data. To overcome these limitations, we propose a novel diversified pipeline to synthesize BoostQA, a 100B-token large-scale QA dataset. Our synthesis framework: (1) curates seed data from heterogeneous sources; (2) utilizes DeepSeek-R1 to implement STEM-focused multi-grade synthesis to boost data diversity and high-difficulty synthesis to mitigate difficulty degradation; (3) refines answers via DeepSeek-V3 to improve output quality. We utilize BoostQA in mid-training, a mid-stage between pre-training and post-training, to optimize domain-specific knowledge acquisition and enhance data quality. Our method enables Llama-3 8B, mid-trained on a 40B-token dataset, to achieve an average improvement of 12.74% on MMLU and CMMLU and establish SOTA average performance across 12 benchmarks. BoostQA also demonstrates robust scalability, with performance consistently improving as model size, data volume, and initial FLOPs scale.

The pursuit of diverse, complex, and large-scale instruction data is crucial for automatically aligning large language models (LLMs). While there are methods capable of generating synthetic instructions at scale, they either suffer from limited grounding sources, leading to a narrow distribution, or rely on trivial extensions that fail to produce meaningful trajectories in terms of complexity. In contrast, instructions that benefit efficient alignment are typically crafted with cognitive insights and grounded in real-world use cases. In this paper, we synthesize such instructions using attributed grounding, which involves 1) a top-down attribution process that grounds a selective set of real instructions to situated users, and 2) a bottom-up synthesis process that leverages web documents to first generate a situation, then a meaningful instruction. This framework allows us to harvest diverse and complex instructions at scale, utilizing the vast range of web documents. Specifically, we construct a dataset of 1 million instructions, called SynthQuestions, and demonstrate that models trained on it achieve leading performance on several common benchmarks, with improvements that continually scale with more web corpora. Data, models and codes will be available at https://github.com/Ignoramus0817/SynthQuestions.

Assessing whether a molecule can be synthesised is a primary task in drug discovery. It enables computational chemists to filter for viable compounds or bias molecular generative models. The notion of synthesisability is dynamic as it evolves depending on the availability of key compounds. A common approach in drug discovery involves exploring the chemical space surrounding synthetically-accessible intermediates. This strategy improves the synthesisability of the derived molecules due to the availability of key intermediates. Existing synthesisability scoring methods such as SAScore, SCScore and RAScore, cannot condition on intermediates dynamically. Our approach, Leap, is a GPT-2 model trained on the depth, or longest linear path, of predicted synthesis routes that allows information on the availability of key intermediates to be included at inference time. We show that Leap surpasses all other scoring methods by at least 5% on AUC score when identifying synthesisable molecules, and can successfully adapt predicted scores when presented with a relevant intermediate compound.

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.

Current pre-training datasets are derived from web crawls, with all their issues, and were not designed to support mid- and post-training pipelines--for instance, they contain little explicit reasoning. Thus, many frontier labs have begun to develop their own internal datasets, starting from state-of-the-art models, to augment their pre-training data mix, eg, with reasoning traces to address cold-start problems. While demonstratively effective, none of these datasets are public, and the effect of this so-called synthetic data on knowledge and skill acquisition of language models, including small ones, remains poorly understood. We present SYNTH, the first open-source synthetic corpus derived from 58,698 Wikipedia articles that collapses pre-, mid-, and post-training into a single training stage via structured amplification of curated encyclopedic seeds. We evaluate SYNTH by training a suite of models: a 56M tiny model (Monad), 0.3B-0.6B dense models (Baguettotron), and a 13B / 1B-active MoE. At iso-compute, SYNTH outperforms filtered web data, and our models remain competitive with similarly-sized open-weight baselines. Because SYNTH is back-translated from grounded passages, SYNTH-trained models achieve high factual precision despite 10-140x fewer training tokens, with memorization targeted by the seed corpus. These results show that synthetic datasets, including our SYNTH dataset, are capable of producing competitive generalist models from a fraction of the training data, enabling rapid iteration as the frontier advances. These findings open up possibilities for both generalist models with significantly increased data efficiency, as well as domain-specific models where no instruction or conversational data is available. Finally, we publicly release our SYNTH dataset and the suite of Baguettotron models under a permissive license, thus supporting open-source language model development.

Accurately identifying the synthesis conditions of metal-organic frameworks (MOFs) is essential for guiding experimental design, yet remains challenging because relevant information in the literature is often scattered, inconsistent, and difficult to interpret. We present MOFh6, a large language model driven system that reads raw articles or crystal codes and converts them into standardized synthesis tables. It links related descriptions across paragraphs, unifies ligand abbreviations with full names, and outputs structured parameters ready for use. MOFh6 achieved 99% extraction accuracy, resolved 94.1% of abbreviation cases across five major publishers, and maintained a precision of 0.93 +/- 0.01. Processing a full text takes 9.6 s, locating synthesis descriptions 36 s, with 100 papers processed for USD 4.24. By replacing static database lookups with real-time extraction, MOFh6 reshapes MOF synthesis research, accelerating the conversion of literature knowledge into practical synthesis protocols and enabling scalable, data-driven materials discovery.

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 .

We propose a method to recommend music for an input video while allowing a user to guide music selection with free-form natural language. A key challenge of this problem setting is that existing music video datasets provide the needed (video, music) training pairs, but lack text descriptions of the music. This work addresses this challenge with the following three contributions. First, we propose a text-synthesis approach that relies on an analogy-based prompting procedure to generate natural language music descriptions from a large-scale language model (BLOOM-176B) given pre-trained music tagger outputs and a small number of human text descriptions. Second, we use these synthesized music descriptions to train a new trimodal model, which fuses text and video input representations to query music samples. For training, we introduce a text dropout regularization mechanism which we show is critical to model performance. Our model design allows for the retrieved music audio to agree with the two input modalities by matching visual style depicted in the video and musical genre, mood, or instrumentation described in the natural language query. Third, to evaluate our approach, we collect a testing dataset for our problem by annotating a subset of 4k clips from the YT8M-MusicVideo dataset with natural language music descriptions which we make publicly available. We show that our approach can match or exceed the performance of prior methods on video-to-music retrieval while significantly improving retrieval accuracy when using text guidance.

Single-step retrosynthesis is a central component of computer-aided synthesis planning, yet its intrinsically one-to-many nature is poorly captured by single-answer evaluation and benchmarking protocols. To address this, we introduce Top-K prompting as a robust training and inference paradigm to better capture diverse, plausible reaction predictions. We compile CREED-CCV-2+USPTO-XL, an ultra-large-scale dataset of ~45.6 million verified reactions to train the C3LM (Chemistry Constraint-Consistent Language Model). By integrating fine-tuning with ChemCensor-based and novelty-oriented rewards, our model achieves state-of-the-art performance on the OOD URSA-expert-2026 benchmark. Further analysis of reaction uniqueness shows that LLMs and conventional models explore complementary reaction spaces, motivating ensemble-based retrosynthesis systems. Overall, our results establish Top-K, plausibility-aware training as a practical new direction for robust future LLM-based synthesis planning.

The advancement of machine learning and the availability of large-scale reaction datasets have accelerated the development of data-driven models for computer-aided synthesis planning (CASP) in the past decade. Here, we detail the newest version of ASKCOS, an open source software suite for synthesis planning that makes available several research advances in a freely available, practical tool. Four one-step retrosynthesis models form the basis of both interactive planning and automatic planning modes. Retrosynthetic planning is complemented by other modules for feasibility assessment and pathway evaluation, including reaction condition recommendation, reaction outcome prediction, and auxiliary capabilities such as solubility prediction and quantum mechanical descriptor prediction. ASKCOS has assisted hundreds of medicinal, synthetic, and process chemists in their day-to-day tasks, complementing expert decision making. It is our belief that CASP tools like ASKCOS are an important part of modern chemistry research, and that they offer ever-increasing utility and accessibility.

AI agents increasingly rely on external tools to solve complex, long-horizon tasks. Advancing such agents requires reproducible evaluation and large-scale training in controllable, diverse, and realistic tool-use environments. However, real-world APIs are limited in availability, domain coverage, and stability, often requiring access keys and imposing rate limits, which render them impractical for stable evaluation or scalable training. To address these challenges, we introduce SynthTools, a flexible and scalable framework for generating synthetic tool ecosystems. Our framework consists of three core components: Tool Generation for automatic and scalable creation of diverse tools, Tool Simulation to emulate realistic tool behaviors, and Tool Audit to ensure correctness and consistency of tool simulation. To illustrate its scalability, we show that SynthTools can readily produce toolsets that span twice as many domains and twice as many tools per domain as prior work. Furthermore, the tool simulation and tool audit components demonstrate strong reliability, achieving 94% and 99% accuracy respectively. Finally, we construct downstream tasks from the generated tools that even state-of-the-art models struggle to complete. By enabling scalable, diverse, and reliable tool ecosystems, SynthTools provides a practical path toward large-scale training and stable evaluation of tool-use agents. Our code is available at https://github.com/namkoong-lab/SynthTools.

Synthesis procedures play a critical role in materials research, as they directly affect material properties. With data-driven approaches increasingly accelerating materials discovery, there is growing interest in extracting synthesis procedures from scientific literature as structured data. However, existing studies often rely on rigid, domain-specific schemas with predefined fields for structuring synthesis procedures or assume that synthesis procedures are linear sequences of operations, which limits their ability to capture the structural complexity of real-world procedures. To address these limitations, we adopt PROV-DM, an international standard for provenance information, which supports flexible, graph-based modeling of procedures. We present MatPROV, a dataset of PROV-DM-compliant synthesis procedures extracted from scientific literature using large language models. MatPROV captures structural complexities and causal relationships among materials, operations, and conditions through visually intuitive directed graphs. This representation enables machine-interpretable synthesis knowledge, opening opportunities for future research such as automated synthesis planning and optimization.

Progress in computer-aided synthesis planning (CASP) is obscured by the lack of standardized evaluation infrastructure and the reliance on metrics that prioritize topological completion over chemical validity. We introduce RetroCast, a unified evaluation suite that standardizes heterogeneous model outputs into a common schema to enable statistically rigorous, apples-to-apples comparison. The framework includes a reproducible benchmarking pipeline with stratified sampling and bootstrapped confidence intervals, accompanied by SynthArena, an interactive platform for qualitative route inspection. We utilize this infrastructure to evaluate leading search-based and sequence-based algorithms on a new suite of standardized benchmarks. Our analysis reveals a divergence between "solvability" (stock-termination rate) and route quality; high solvability scores often mask chemical invalidity or fail to correlate with the reproduction of experimental ground truths. Furthermore, we identify a "complexity cliff" in which search-based methods, despite high solvability rates, exhibit a sharp performance decay in reconstructing long-range synthetic plans compared to sequence-based approaches. We release the full framework, benchmark definitions, and a standardized database of model predictions to support transparent and reproducible development in the field.

Recent progress has expanded the use of large language models (LLMs) in drug discovery, including synthesis planning. However, objective evaluation of retrosynthesis performance remains limited. Existing benchmarks and metrics typically rely on published synthetic procedures and Top-K accuracy based on single ground-truth, which does not capture the open-ended nature of real-world synthesis planning. We propose a new benchmarking framework for single-step retrosynthesis that evaluates both general-purpose and chemistry-specialized LLMs using ChemCensor, a novel metric for chemical plausibility. By emphasizing plausibility over exact match, this approach better aligns with human synthesis planning practices. We also introduce CREED, a novel dataset comprising millions of ChemCensor-validated reaction records for LLM training, and use it to train a model that improves over the LLM baselines under this benchmark.

A well-known pitfall of molecular generative models is that they are not guaranteed to generate synthesizable molecules. There have been considerable attempts to address this problem, but given the exponentially large combinatorial space of synthesizable molecules, existing methods have shown limited coverage of the space and poor molecular optimization performance. To tackle these problems, we introduce ReaSyn, a generative framework for synthesizable projection where the model explores the neighborhood of given molecules in the synthesizable space by generating pathways that result in synthesizable analogs. To fully utilize the chemical knowledge contained in the synthetic pathways, we propose a novel perspective that views synthetic pathways akin to reasoning paths in large language models (LLMs). Specifically, inspired by chain-of-thought (CoT) reasoning in LLMs, we introduce the chain-of-reaction (CoR) notation that explicitly states reactants, reaction types, and intermediate products for each step in a pathway. With the CoR notation, ReaSyn can get dense supervision in every reaction step to explicitly learn chemical reaction rules during supervised training and perform step-by-step reasoning. In addition, to further enhance the reasoning capability of ReaSyn, we propose reinforcement learning (RL)-based finetuning and goal-directed test-time compute scaling tailored for synthesizable projection. ReaSyn achieves the highest reconstruction rate and pathway diversity in synthesizable molecule reconstruction and the highest optimization performance in synthesizable goal-directed molecular optimization, and significantly outperforms previous synthesizable projection methods in synthesizable hit expansion. These results highlight ReaSyn's superior ability to navigate combinatorially-large synthesizable chemical space.

We present SynthTextEval, a toolkit for conducting comprehensive evaluations of synthetic text. The fluency of large language model (LLM) outputs has made synthetic text potentially viable for numerous applications, such as reducing the risks of privacy violations in the development and deployment of AI systems in high-stakes domains. Realizing this potential, however, requires principled consistent evaluations of synthetic data across multiple dimensions: its utility in downstream systems, the fairness of these systems, the risk of privacy leakage, general distributional differences from the source text, and qualitative feedback from domain experts. SynthTextEval allows users to conduct evaluations along all of these dimensions over synthetic data that they upload or generate using the toolkit's generation module. While our toolkit can be run over any data, we highlight its functionality and effectiveness over datasets from two high-stakes domains: healthcare and law. By consolidating and standardizing evaluation metrics, we aim to improve the viability of synthetic text, and in-turn, privacy-preservation in AI development.

We introduce Noise2Music, where a series of diffusion models is trained to generate high-quality 30-second music clips from text prompts. Two types of diffusion models, a generator model, which generates an intermediate representation conditioned on text, and a cascader model, which generates high-fidelity audio conditioned on the intermediate representation and possibly the text, are trained and utilized in succession to generate high-fidelity music. We explore two options for the intermediate representation, one using a spectrogram and the other using audio with lower fidelity. We find that the generated audio is not only able to faithfully reflect key elements of the text prompt such as genre, tempo, instruments, mood, and era, but goes beyond to ground fine-grained semantics of the prompt. Pretrained large language models play a key role in this story -- they are used to generate paired text for the audio of the training set and to extract embeddings of the text prompts ingested by the diffusion models. Generated examples: https://google-research.github.io/noise2music

With the growing availability of data within various scientific domains, generative models hold enormous potential to accelerate scientific discovery. They harness powerful representations learned from datasets to speed up the formulation of novel hypotheses with the potential to impact material discovery broadly. We present the Generative Toolkit for Scientific Discovery (GT4SD). This extensible open-source library enables scientists, developers, and researchers to train and use state-of-the-art generative models to accelerate scientific discovery focused on material design.

Knowledge graphs (KGs) generated by large language models (LLMs) are becoming increasingly valuable for Retrieval-Augmented Generation (RAG) applications that require knowledge-intensive reasoning. However, existing KG extraction methods predominantly rely on prompt-based approaches, which are inefficient for processing large-scale corpora. These approaches often suffer from information loss, particularly with long documents, due to the lack of specialized design for KG construction. Additionally, there is a gap in evaluation datasets and methodologies for ontology-free KG construction. To overcome these limitations, we propose SynthKG, a multi-step, document-level ontology-free KG synthesis workflow based on LLMs. By fine-tuning a smaller LLM on the synthesized document-KG pairs, we streamline the multi-step process into a single-step KG generation approach called Distill-SynthKG, substantially reducing the number of LLM inference calls. Furthermore, we re-purpose existing question-answering datasets to establish KG evaluation datasets and introduce new evaluation metrics. Using KGs produced by Distill-SynthKG, we also design a novel graph-based retrieval framework for RAG. Experimental results demonstrate that Distill-SynthKG not only surpasses all baseline models in KG quality -- including models up to eight times larger -- but also consistently excels in retrieval and question-answering tasks. Our proposed graph retrieval framework also outperforms all KG-retrieval methods across multiple benchmark datasets. We release the SynthKG dataset and Distill-SynthKG model publicly to support further research and development.

High-throughput reaction condition (RC) screening is fundamental to chemical synthesis. However, current RC screening suffers from laborious and costly trial-and-error workflows. Traditional computer-aided synthesis planning (CASP) tools fail to find suitable RCs due to data sparsity and inadequate reaction representations. Nowadays, large language models (LLMs) are capable of tackling chemistry-related problems, such as molecule design, and chemical logic Q\&A tasks. However, LLMs have not yet achieved accurate predictions of chemical reaction conditions. Here, we present MM-RCR, a text-augmented multimodal LLM that learns a unified reaction representation from SMILES, reaction graphs, and textual corpus for chemical reaction recommendation (RCR). To train MM-RCR, we construct 1.2 million pair-wised Q\&A instruction datasets. Our experimental results demonstrate that MM-RCR achieves state-of-the-art performance on two open benchmark datasets and exhibits strong generalization capabilities on out-of-domain (OOD) and High-Throughput Experimentation (HTE) datasets. MM-RCR has the potential to accelerate high-throughput condition screening in chemical synthesis.

Enhancing the mathematical reasoning of large language models (LLMs) demands high-quality training data, yet conventional methods face critical challenges in scalability, cost, and data reliability. To address these limitations, we propose a novel program-assisted synthesis framework that systematically generates a high-quality mathematical corpus with guaranteed diversity, complexity, and correctness. This framework integrates mathematical knowledge systems and domain-specific tools to create executable programs. These programs are then translated into natural language problem-solution pairs and vetted by a bilateral validation mechanism that verifies solution correctness against program outputs and ensures program-problem consistency. We have generated 12.3 million such problem-solving triples. Experiments demonstrate that models fine-tuned on our data significantly improve their inference capabilities, achieving state-of-the-art performance on several benchmark datasets and showcasing the effectiveness of our synthesis approach.

Generative models guided by text prompts are increasingly becoming more popular. However, no text-to-MIDI models currently exist, mostly due to the lack of a captioned MIDI dataset. This work aims to enable research that combines LLMs with symbolic music by presenting the first large-scale MIDI dataset with text captions that is openly available: MidiCaps. MIDI (Musical Instrument Digital Interface) files are a widely used format for encoding musical information. Their structured format captures the nuances of musical composition and has practical applications by music producers, composers, musicologists, as well as performers. Inspired by recent advancements in captioning techniques applied to various domains, we present a large-scale curated dataset of over 168k MIDI files accompanied by textual descriptions. Each MIDI caption succinctly describes the musical content, encompassing tempo, chord progression, time signature, instruments present, genre and mood; thereby facilitating multi-modal exploration and analysis. The dataset contains a mix of various genres, styles, and complexities, offering a rich source for training and evaluating models for tasks such as music information retrieval, music understanding and cross-modal translation. We provide detailed statistics about the dataset and have assessed the quality of the captions in an extensive listening study. We anticipate that this resource will stimulate further research in the intersection of music and natural language processing, fostering advancements in both fields.

Designing molecules that are both property-optimal and readily synthesizable is a central challenge in drug discovery. Existing works that do consider synthesizability can jointly output predicted synthesis routes for generated molecules. However, there has been minimal attention in addressing the ease of synthesis and with flexibility to incorporate desired reaction constraints. On the other hand, virtual screening searches for commercially available compounds, but imposes challenges when scaling to ultra-large (billion-size and beyond) chemical spaces. Here, we propose a generative design framework that unifies synthesis-constrained molecular design and ultra-large-scale virtual screening through steerable and granular synthesizability control. Generated molecules satisfy arbitrary multi-parameter optimization objectives with predicted synthesis routes satisfying mix-and-match constraints: including or avoiding certain reactions, incorporating specific building blocks, and minimizing synthesis route length. In an end-to-end in-house campaign targeting BRD4, we designed molecules synthesizable with specific selected reactions and building blocks, synthesized all six selected compounds, and identified two micromolar binders. We further demonstrate that reaction control enables efficient navigation of ultra-large make-on-demand chemical spaces to identify property-optimal candidates. By applying our framework to Chemspace's Freedom 4.0 make-on-demand space (142 billion molecules), we generated ~320k molecules (0.00023% of the library) on a single consumer-grade GPU (with only 8 GB GPU memory) and identified a micromolar Wee1 binder amongst 60 synthesized candidates. The single unified framework thus enables generating novel synthesizable molecules and retrieving catalogue-ready candidates, offering a flexible solution to mitigating the synthesizability bottleneck.

We introduce Seed-Music, a suite of music generation systems capable of producing high-quality music with fine-grained style control. Our unified framework leverages both auto-regressive language modeling and diffusion approaches to support two key music creation workflows: controlled music generation and post-production editing. For controlled music generation, our system enables vocal music generation with performance controls from multi-modal inputs, including style descriptions, audio references, musical scores, and voice prompts. For post-production editing, it offers interactive tools for editing lyrics and vocal melodies directly in the generated audio. We encourage readers to listen to demo audio examples at https://team.doubao.com/seed-music .

Music foundation models possess impressive music generation capabilities. When people compose music, they may infuse their understanding of music into their work, by using notes and intervals to craft melodies, chords to build progressions, and tempo to create a rhythmic feel. To what extent is this true of music generation models? More specifically, are fundamental Western music theory concepts observable within the "inner workings" of these models? Recent work proposed leveraging latent audio representations from music generation models towards music information retrieval tasks (e.g. genre classification, emotion recognition), which suggests that high-level musical characteristics are encoded within these models. However, probing individual music theory concepts (e.g. tempo, pitch class, chord quality) remains under-explored. Thus, we introduce SynTheory, a synthetic MIDI and audio music theory dataset, consisting of tempos, time signatures, notes, intervals, scales, chords, and chord progressions concepts. We then propose a framework to probe for these music theory concepts in music foundation models (Jukebox and MusicGen) and assess how strongly they encode these concepts within their internal representations. Our findings suggest that music theory concepts are discernible within foundation models and that the degree to which they are detectable varies by model size and layer.

We introduce the text-to-instrument task, which aims at generating sample-based musical instruments based on textual prompts. Accordingly, we propose InstrumentGen, a model that extends a text-prompted generative audio framework to condition on instrument family, source type, pitch (across an 88-key spectrum), velocity, and a joint text/audio embedding. Furthermore, we present a differentiable loss function to evaluate the intra-instrument timbral consistency of sample-based instruments. Our results establish a foundational text-to-instrument baseline, extending research in the domain of automatic sample-based instrument generation.

Scientific literature understanding is crucial for extracting targeted information and garnering insights, thereby significantly advancing scientific discovery. Despite the remarkable success of Large Language Models (LLMs), they face challenges in scientific literature understanding, primarily due to (1) a lack of scientific knowledge and (2) unfamiliarity with specialized scientific tasks. To develop an LLM specialized in scientific literature understanding, we propose a hybrid strategy that integrates continual pre-training (CPT) and supervised fine-tuning (SFT), to simultaneously infuse scientific domain knowledge and enhance instruction-following capabilities for domain-specific tasks.cIn this process, we identify two key challenges: (1) constructing high-quality CPT corpora, and (2) generating diverse SFT instructions. We address these challenges through a meticulous pipeline, including PDF text extraction, parsing content error correction, quality filtering, and synthetic instruction creation. Applying this strategy, we present a suite of LLMs: SciLitLLM, specialized in scientific literature understanding. These models demonstrate promising performance on scientific literature understanding benchmarks. Our contributions are threefold: (1) We present an effective framework that integrates CPT and SFT to adapt LLMs to scientific literature understanding, which can also be easily adapted to other domains. (2) We propose an LLM-based synthesis method to generate diverse and high-quality scientific instructions, resulting in a new instruction set -- SciLitIns -- for supervised fine-tuning in less-represented scientific domains. (3) SciLitLLM achieves promising performance improvements on scientific literature understanding benchmarks.

Large language models (LLMs) with instruction following capabilities have demonstrated impressive problem-solving abilities. While synthesizing instructional data from unsupervised text has become a common approach for training such models, conventional methods rely heavily on human effort for data annotation. Although existing automated synthesis paradigms have alleviated this constraint, they still exhibit significant limitations in ensuring adequate diversity and difficulty of synthesized instructions. To address these challenges, we propose Self-Foveate, an innovative LLM-driven method for instruction synthesis. This approach introduces a "Micro-Scatter-Macro" multi-level foveation methodology that effectively guides the LLM to deeply excavate fine-grained information embedded in unsupervised text, thereby enhancing both the diversity and difficulty of synthesized instructions. Comprehensive experiments across multiple unsupervised corpora and diverse model architectures validate the effectiveness and superiority of our proposed method. We publicly release our data and codes: https://github.com/Mubuky/Self-Foveate

The advent of Large Language Model (LLM)-powered agents has revolutionized artificial intelligence by enabling solutions to complex, open-ended tasks through web-based information-seeking (IS) capabilities. The scarcity of high-quality training data has limited the development of IS agents. Existing approaches typically adopt an information-driven paradigm that first collects web data and then generates questions based on the retrieval. However, this may lead to inconsistency between information structure and reasoning structure, question and answer. To mitigate, we propose a formalization-driven IS data synthesis framework WebShaper to construct a dataset. WebShaper systematically formalizes IS tasks through set theory. Central to the formalization is the concept of Knowledge Projections (KP), which enables precise control over reasoning structure by KP operation compositions. During synthesis, we begin by creating seed tasks, then use a multi-step expansion process. At each step, an agentic Expander expands the current formal question more complex with retrieval and validation tools based on our formalization. We train our model on the synthesized dataset. Experiment results demonstrate that WebShaper achieves state-of-the-art performance among open-sourced IS agents on GAIA and WebWalkerQA benchmarks.

Program synthesis strives to generate a computer program as a solution to a given problem specification, expressed with input-output examples or natural language descriptions. The prevalence of large language models advances the state-of-the-art for program synthesis, though limited training resources and data impede open access to such models. To democratize this, we train and release a family of large language models up to 16.1B parameters, called CODEGEN, on natural language and programming language data, and open source the training library JAXFORMER. We show the utility of the trained model by demonstrating that it is competitive with the previous state-of-the-art on zero-shot Python code generation on HumanEval. We further investigate the multi-step paradigm for program synthesis, where a single program is factorized into multiple prompts specifying subproblems. To this end, we construct an open benchmark, Multi-Turn Programming Benchmark (MTPB), consisting of 115 diverse problem sets that are factorized into multi-turn prompts. Our analysis on MTPB shows that the same intent provided to CODEGEN in multi-turn fashion significantly improves program synthesis over that provided as a single turn. We make the training library JAXFORMER and model checkpoints available as open source contribution: https://github.com/salesforce/CodeGen.

The evolution of Large Language Models (LLMs) towards autonomous agents has catalyzed progress in Deep Research. While retrieval capabilities are well-benchmarked, the post-retrieval synthesis stage--where agents must digest massive amounts of context and consolidate fragmented evidence into coherent, long-form reports--remains under-evaluated due to the subjectivity of open-ended writing. To bridge this gap, we introduce DeepSynth-Eval, a benchmark designed to objectively evaluate information consolidation capabilities. We leverage high-quality survey papers as gold standards, reverse-engineering research requests and constructing "Oracle Contexts" from their bibliographies to isolate synthesis from retrieval noise. We propose a fine-grained evaluation protocol using General Checklists (for factual coverage) and Constraint Checklists (for structural organization), transforming subjective judgment into verifiable metrics. Experiments across 96 tasks reveal that synthesizing information from hundreds of references remains a significant challenge. Our results demonstrate that agentic plan-and-write workflows significantly outperform single-turn generation, effectively reducing hallucinations and improving adherence to complex structural constraints.

Large models for text-to-music generation have achieved significant progress, facilitating the creation of high-quality and varied musical compositions from provided text prompts. However, input text prompts may not precisely capture user requirements, particularly when the objective is to generate music that embodies a specific concept derived from a designated reference collection. In this paper, we propose a novel method for customized text-to-music generation, which can capture the concept from a two-minute reference music and generate a new piece of music conforming to the concept. We achieve this by fine-tuning a pretrained text-to-music model using the reference music. However, directly fine-tuning all parameters leads to overfitting issues. To address this problem, we propose a Pivotal Parameters Tuning method that enables the model to assimilate the new concept while preserving its original generative capabilities. Additionally, we identify a potential concept conflict when introducing multiple concepts into the pretrained model. We present a concept enhancement strategy to distinguish multiple concepts, enabling the fine-tuned model to generate music incorporating either individual or multiple concepts simultaneously. Since we are the first to work on the customized music generation task, we also introduce a new dataset and evaluation protocol for the new task. Our proposed Jen1-DreamStyler outperforms several baselines in both qualitative and quantitative evaluations. Demos will be available at https://www.jenmusic.ai/research#DreamStyler.

Avoiding synthesizing specific visual concepts is an essential challenge in responsible visual synthesis. However, the visual concept that needs to be avoided for responsible visual synthesis tends to be diverse, depending on the region, context, and usage scenarios. In this work, we formalize a new task, Open-vocabulary Responsible Visual Synthesis (ORES), where the synthesis model is able to avoid forbidden visual concepts while allowing users to input any desired content. To address this problem, we present a Two-stage Intervention (TIN) framework. By introducing 1) rewriting with learnable instruction through a large-scale language model (LLM) and 2) synthesizing with prompt intervention on a diffusion synthesis model, it can effectively synthesize images avoiding any concepts but following the user's query as much as possible. To evaluate on ORES, we provide a publicly available dataset, baseline models, and benchmark. Experimental results demonstrate the effectiveness of our method in reducing risks of image generation. Our work highlights the potential of LLMs in responsible visual synthesis. Our code and dataset is public available.

Synthesis planning aiming to find pathways of reactions for a target molecule is one of the most important and challenging tasks in drug discovery. Recent progress has produced both specialized deep-learning retrosynthesis systems and general-purpose large language models, but objective comparison remains difficult due to the lack of flexible, chemically interpretable benchmarking protocols. In the current study, we are introducing the URSA (Utilitarian RetroSynthesis Assessment) evaluation framework that provides the opportunity to benchmark the synthetic routes not only from a formal perspective, such as convergence to commercially available starting materials, but also from a chemical plausibility perspective, mimicking the way expert chemists evaluate the reactions and routes. The study covers a comprehensive evaluation of both conventional end-to-end retrosynthesis solutions and LLMs for the synthesis planning task on a set of novel, diverse target molecules with undisclosed synthetic routes, which represent realistic tasks in the daily drug design routine. We find that while LLMs can support high-level strategic planning, they currently underperform specialized retrosynthesis models in reliably solving synthesis planning tasks.

This technical report describes the results of a collaboration between the NLP research group at the University of Tartu and the Institute of Estonian Language on improving neural speech synthesis for Estonian. The report (written in Estonian) describes the project results, the summary of which is: (1) Speech synthesis data from 6 speakers for a total of 92.4 hours is collected and openly released (CC-BY-4.0). Data available at https://konekorpus.tartunlp.ai and https://www.eki.ee/litsents/. (2) software and models for neural speech synthesis is released open-source (MIT license). Available at https://koodivaramu.eesti.ee/tartunlp/text-to-speech . (3) We ran evaluations of the new models and compared them to other existing solutions (HMM-based HTS models from EKI, http://www.eki.ee/heli/, and Google's speech synthesis for Estonian, accessed via https://translate.google.com). Evaluation includes voice acceptability MOS scores for sentence-level and longer excerpts, detailed error analysis and evaluation of the pre-processing module.

Generative models hold great promise for small molecule discovery, significantly increasing the size of search space compared to traditional in silico screening libraries. However, most existing machine learning methods for small molecule generation suffer from poor synthesizability of candidate compounds, making experimental validation difficult. In this paper we propose Reaction-GFlowNet (RGFN), an extension of the GFlowNet framework that operates directly in the space of chemical reactions, thereby allowing out-of-the-box synthesizability while maintaining comparable quality of generated candidates. We demonstrate that with the proposed set of reactions and building blocks, it is possible to obtain a search space of molecules orders of magnitude larger than existing screening libraries coupled with low cost of synthesis. We also show that the approach scales to very large fragment libraries, further increasing the number of potential molecules. We demonstrate the effectiveness of the proposed approach across a range of oracle models, including pretrained proxy models and GPU-accelerated docking.

We explore the use of large language models (LLMs) for music generation using a retrieval system to select relevant examples. We find promising initial results for music generation in a dialogue with the user, especially considering the ease with which such a system can be implemented. The code is available online.

Machine learning can accelerate molecular discovery by designing molecules and planning experiments. However, many scientific challenges demand molecules with very rare properties, and in this sparse setting, existing algorithms offer little gain over random guessing. We propose a method to efficiently search large regions of molecular space using algorithmically controlled stochastic synthesis. Rather than design, make and test individual molecules, we design and make complex mixtures, test them as a pool, then deconvolute the molecule-activity map. We optimize synthesis to encode maximal information. Theoretically, this approach can reduce the number of experiments required to find the optimal molecule among d candidates from O(d) to O(log d) or O(1). In simulation, on estimated protein fitness landscapes, it finds active molecules with an order of magnitude fewer experiments than existing Bayesian optimization methods.

Neural audio synthesis methods now allow specifying ideas in natural language. However, these methods produce results that cannot be easily tweaked, as they are based on large latent spaces and up to billions of uninterpretable parameters. We propose a text-to-audio generation method that leverages a virtual modular sound synthesizer with only 78 parameters. Synthesizers have long been used by skilled sound designers for media like music and film due to their flexibility and intuitive controls. Our method, CTAG, iteratively updates a synthesizer's parameters to produce high-quality audio renderings of text prompts that can be easily inspected and tweaked. Sounds produced this way are also more abstract, capturing essential conceptual features over fine-grained acoustic details, akin to how simple sketches can vividly convey visual concepts. Our results show how CTAG produces sounds that are distinctive, perceived as artistic, and yet similarly identifiable to recent neural audio synthesis models, positioning it as a valuable and complementary tool.

Modern front-end (FE) development, especially when leveraging the unique features of frameworks like React and Vue, presents distinctive challenges. These include managing modular architectures, ensuring synchronization between data and visual outputs for declarative rendering, and adapting reusable components to various scenarios. Such complexities make it particularly difficult for state-of-the-art large vision-language models (VLMs) to generate accurate and functional code directly from design images. To address these challenges, we propose a reflective agentic workflow that synthesizes high-quality image-text data to capture the diverse characteristics of FE development. This workflow automates the extraction of self-containedA \textbf{self-contained code snippet is one that encapsulates all necessary logic, styling, and dependencies, ensuring it functions independently without requiring external imports or context.} code snippets from real-world projects, renders the corresponding visual outputs, and generates detailed descriptions that link design elements to functional code. To further expand the scope and utility of the synthesis, we introduce three data synthesis strategies: Evolution-based synthesis, which enables scalable and diverse dataset expansion; Waterfall-Model-based synthesis, which generates logically coherent code derived from system requirements; and Additive Development synthesis, which iteratively increases the complexity of human-authored components. We build a large vision-language model, Flame, trained on the synthesized datasets and demonstrate its effectiveness in generating React code via the pass@k metric. Our results suggest that a code VLM trained to interpret images before code generation may achieve better performance.

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.

Fine-tuning large language models (LLMs) for specific tasks requires high-quality, diverse training data relevant to the task. Recent research has leveraged LLMs to synthesize training data, but existing approaches either depend on large seed datasets or struggle to ensure both task relevance and data diversity in the generated outputs. To address these challenges, we propose AIDE, a novel data synthesis framework that uses a multi-hop process to expand 10 seed data points while ensuring diversity and task relevance. AIDE extracts the main topic and key knowledge attributes from the seed data to guide the synthesis process. In each subsequent hop, it extracts the topic and attributes from the newly generated data and continues guided synthesis. This process repeats for a total of K hops. To prevent irrelevant data generation as the hop depth increases, AIDE incorporates a residual connection mechanism and uses self-reflection to improve data quality. Our empirical results demonstrate that fine-tuning Mistral-7B, Llama-3.1-8B and Llama-3.2-3B with AIDE achieves more than 10% accuracy improvements over the base models across 13 tasks from 5 different benchmarks, while outperforming the models fine-tuned with state-of-the-art data synthesis methods like Evol-Instruct, DataTune and Prompt2Model.

*Data Synthesis* is a promising way to train a small model with very little labeled data. One approach for data synthesis is to leverage the rich knowledge from large language models to synthesize pseudo training examples for small models, making it possible to achieve both data and compute efficiency at the same time. However, a key challenge in data synthesis is that the synthesized dataset often suffers from a large distributional discrepancy from the *real task* data distribution. Thus, in this paper, we propose *Synthesis Step by Step* (**S3**), a data synthesis framework that shrinks this distribution gap by iteratively extrapolating the errors made by a small model trained on the synthesized dataset on a small real-world validation dataset using a large language model. Extensive experiments on multiple NLP tasks show that our approach improves the performance of a small model by reducing the gap between the synthetic dataset and the real data, resulting in significant improvement compared to several baselines: 9.48% improvement compared to ZeroGen and 2.73% compared to GoldGen, and at most 15.17% improvement compared to the small model trained on human-annotated data.

Constrained synthesizability is an unaddressed challenge in generative molecular design. In particular, designing molecules satisfying multi-parameter optimization objectives, while simultaneously being synthesizable and enforcing the presence of specific commercial building blocks in the synthesis. This is practically important for molecule re-purposing, sustainability, and efficiency. In this work, we propose a novel reward function called TANimoto Group Overlap (TANGO), which uses chemistry principles to transform a sparse reward function into a dense and learnable reward function -- crucial for reinforcement learning. TANGO can augment general-purpose molecular generative models to directly optimize for constrained synthesizability while simultaneously optimizing for other properties relevant to drug discovery using reinforcement learning. Our framework is general and addresses starting-material, intermediate, and divergent synthesis constraints. Contrary to most existing works in the field, we show that incentivizing a general-purpose (without any inductive biases) model is a productive approach to navigating challenging optimization scenarios. We demonstrate this by showing that the trained models explicitly learn a desirable distribution. Our framework is the first generative approach to tackle constrained synthesizability.

Synthesizability remains a critical bottleneck in generative molecular design. While recent advances have addressed synthesizability in 2D graphs, extending these constraints to 3D for geometry-based conditional generation remains largely unexplored. In this work, we present SynCoGen (Synthesizable Co-Generation), a single framework that combines simultaneous masked graph diffusion and flow matching for synthesizable 3D molecule generation. SynCoGen samples from the joint distribution of molecular building blocks, chemical reactions, and atomic coordinates. To train the model, we curated SynSpace, a dataset family containing over 1.2M synthesis-aware building block graphs and 7.5M conformers. SynCoGen achieves state-of-the-art performance in unconditional small molecule graph and conformer co-generation. For protein ligand generation in drug discovery, the amortized model delivers superior performance in both molecular linker design and pharmacophore-conditioned generation across diverse targets without relying on any scoring functions. Overall, this multimodal non-autoregressive formulation represents a foundation for a range of molecular design applications, including analog expansion, lead optimization, and direct de novo design.

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.

High-quality tool-use data is critical for training language models to interact effectively with external tools. However, existing synthetic approaches typically follow a generate-then-filter paradigm with static post-hoc verification, often yielding inefficient data with imbalanced feature distributions. We propose ToolLoop, a closed-loop framework that decomposes synthesis into three progressive stages: (1) sampling function name combinations as ground truth; (2) backward derivation of user queries; and (3) forward derivation of tool calls. At each stage, dynamic self-feedback iteratively guides the model toward high-quality generation, realizing a transition from generate-then-filter to generate-verify-refine. On the Berkeley Function Calling Leaderboard (BFCL), a 4B parameter model trained with our 11K synthetic examples achieves 86.40% accuracy in non-reasoning mode, while an Isolate variant that removes BFCL-overlapping candidate functions still reaches 86.07\%. Cross-benchmark evaluation on ACEBench further demonstrates strong generalization, with 72.1% overall accuracy using only 18.3% of baseline training data.

Given the emergence of Generative AI over the last two years and the increasing focus on Agentic AI as a form of Multi-Agent System it is important to explore both how such technologies can impact the use of traditional Agent Toolkits and how the wealth of experience encapsulated in those toolkits can influence the design of the new agentic platforms. This paper presents an overview of our experience developing a prototype large language model (LLM) integration for the ASTRA programming language. It presents a brief overview of the toolkit, followed by three example implementations, concluding with a discussion of the experiences garnered through the examples.

We introduce transductive program synthesis, a new formulation of the program synthesis task that explicitly leverages test inputs during synthesis. While prior approaches to program synthesis--whether based on natural language descriptions or input-output examples--typically aim to generalize from training examples, they often struggle with robustness, especially in real-world settings where training examples are limited and test inputs involve various edge cases. To address this, we propose a novel framework that improves robustness by treating synthesis as an active learning over a finite hypothesis class defined by programs' outputs. We use an LLM to predict outputs for selected test inputs and eliminate inconsistent hypotheses, where the inputs are chosen via a greedy maximin algorithm to minimize the number of LLM queries required. We evaluate our approach on four benchmarks: Playgol, MBPP+, 1D-ARC, and programmatic world modeling on MiniGrid. We demonstrate that our method significantly improves program synthesis in both accuracy and efficiency. We release our code at https://github.com/klee972/SYNTRA.

In recent years, the burgeoning interest in diffusion models has led to significant advances in image and speech generation. Nevertheless, the direct synthesis of music waveforms from unrestricted textual prompts remains a relatively underexplored domain. In response to this lacuna, this paper introduces a pioneering contribution in the form of a text-to-waveform music generation model, underpinned by the utilization of diffusion models. Our methodology hinges on the innovative incorporation of free-form textual prompts as conditional factors to guide the waveform generation process within the diffusion model framework. Addressing the challenge of limited text-music parallel data, we undertake the creation of a dataset by harnessing web resources, a task facilitated by weak supervision techniques. Furthermore, a rigorous empirical inquiry is undertaken to contrast the efficacy of two distinct prompt formats for text conditioning, namely, music tags and unconstrained textual descriptions. The outcomes of this comparative analysis affirm the superior performance of our proposed model in terms of enhancing text-music relevance. Finally, our work culminates in a demonstrative exhibition of the excellent capabilities of our model in text-to-music generation. We further demonstrate that our generated music in the waveform domain outperforms previous works by a large margin in terms of diversity, quality, and text-music relevance.

This paper describes Asteroid, the PyTorch-based audio source separation toolkit for researchers. Inspired by the most successful neural source separation systems, it provides all neural building blocks required to build such a system. To improve reproducibility, Kaldi-style recipes on common audio source separation datasets are also provided. This paper describes the software architecture of Asteroid and its most important features. By showing experimental results obtained with Asteroid's recipes, we show that our implementations are at least on par with most results reported in reference papers. The toolkit is publicly available at https://github.com/mpariente/asteroid .

Music performance synthesis aims to synthesize a musical score into a natural performance. In this paper, we borrow recent advances in text-to-speech synthesis and present the Deep Performer -- a novel system for score-to-audio music performance synthesis. Unlike speech, music often contains polyphony and long notes. Hence, we propose two new techniques for handling polyphonic inputs and providing a fine-grained conditioning in a transformer encoder-decoder model. To train our proposed system, we present a new violin dataset consisting of paired recordings and scores along with estimated alignments between them. We show that our proposed model can synthesize music with clear polyphony and harmonic structures. In a listening test, we achieve competitive quality against the baseline model, a conditional generative audio model, in terms of pitch accuracy, timbre and noise level. Moreover, our proposed model significantly outperforms the baseline on an existing piano dataset in overall quality.

Current approaches to program synthesis with Large Language Models (LLMs) exhibit a "near miss syndrome": they tend to generate programs that semantically resemble the correct answer (as measured by text similarity metrics or human evaluation), but achieve a low or even zero accuracy as measured by unit tests due to small imperfections, such as the wrong input or output format. This calls for an approach known as Synthesize, Execute, Debug (SED), whereby a draft of the solution is generated first, followed by a program repair phase addressing the failed tests. To effectively apply this approach to instruction-driven LLMs, one needs to determine which prompts perform best as instructions for LLMs, as well as strike a balance between repairing unsuccessful programs and replacing them with newly generated ones. We explore these trade-offs empirically, comparing replace-focused, repair-focused, and hybrid debug strategies, as well as different template-based and model-based prompt-generation techniques. We use OpenAI Codex as the LLM and Program Synthesis Benchmark 2 as a database of problem descriptions and tests for evaluation. The resulting framework outperforms both conventional usage of Codex without the repair phase and traditional genetic programming approaches.

Digital advances have transformed the face of automatic music generation since its beginnings at the dawn of computing. Despite the many breakthroughs, issues such as the musical tasks targeted by different machines and the degree to which they succeed remain open questions. We present a functional taxonomy for music generation systems with reference to existing systems. The taxonomy organizes systems according to the purposes for which they were designed. It also reveals the inter-relatedness amongst the systems. This design-centered approach contrasts with predominant methods-based surveys and facilitates the identification of grand challenges to set the stage for new breakthroughs.

Ideation plays a pivotal role in scientific discovery. Recent LLM, especially AI Scientist systems, show promising potential for automated ideation. However, existing approaches predominantly rely on pre-defined agentic workflows. This constraint severely limits the flexibility required to navigate the vast search space of scientific literature and the complex action space of research reasoning. Recently, training Agentic LLMs has emerged as a promising direction, offering flexible reasoning frameworks and the capability for autonomous tool utilization. However, there remains a non-trivial challenge: applying previous agentic data synthesis methods to scientific ideation suffers from prohibitively high data synthesis cost. To bridge this gap, we propose Agentic-Ideation, a novel framework comprising an automated trajectory synthesis pipeline and a specialized agentic LLM trained for scientific ideation. Specifically, we first define a comprehensive tool space incorporating three external tools and three cognitive tools. Then we introduce an Oracle-Guided Data Synthesis strategy. By leveraging a reference idea as oracle guidance, this approach steers the multi-agent system to efficiently reconstruct the logical reasoning and tool invocation paths, transforming aimless trial-and-error into directed trajectory generation. Finally, we train the agent on these synthesized trajectories, employing a masking strategy on tool execution results. This ensures the model focuses on decision-making logic without interference from external feedback. Experimental results demonstrate that our method outperforms the SOTA workflow-based baseline by 11.91\% in overall quality. Furthermore, our approach improves the sample efficiency of high-quality data synthesis by over 10times.

Recent advancements in neural audio codecs have enabled the use of tokenized audio representations in various audio generation tasks, such as text-to-speech, text-to-audio, and text-to-music generation. Leveraging this approach, we propose TokenSynth, a novel neural synthesizer that utilizes a decoder-only transformer to generate desired audio tokens from MIDI tokens and CLAP (Contrastive Language-Audio Pretraining) embedding, which has timbre-related information. Our model is capable of performing instrument cloning, text-to-instrument synthesis, and text-guided timbre manipulation without any fine-tuning. This flexibility enables diverse sound design and intuitive timbre control. We evaluated the quality of the synthesized audio, the timbral similarity between synthesized and target audio/text, and synthesis accuracy (i.e., how accurately it follows the input MIDI) using objective measures. TokenSynth demonstrates the potential of leveraging advanced neural audio codecs and transformers to create powerful and versatile neural synthesizers. The source code, model weights, and audio demos are available at: https://github.com/KyungsuKim42/tokensynth

While recent generative models can produce engaging music, their utility is limited. The variation in the music is often left to chance, resulting in compositions that lack structure. Pieces extending beyond a minute can become incoherent or repetitive. This paper introduces an approach for generating structured, arbitrarily long musical pieces. Central to this approach is the creation of musical segments using a conditional generative model, with transitions between these segments. The generation of prompts that determine the high-level composition is distinct from the creation of finer, lower-level details. A large language model is then used to suggest the musical form.

Recent years have seen significant progress in Text-To-Audio (TTA) synthesis, enabling users to enrich their creative workflows with synthetic audio generated from natural language prompts. Despite this progress, the effects of data, model architecture, training objective functions, and sampling strategies on target benchmarks are not well understood. With the purpose of providing a holistic understanding of the design space of TTA models, we set up a large-scale empirical experiment focused on diffusion and flow matching models. Our contributions include: 1) AF-Synthetic, a large dataset of high quality synthetic captions obtained from an audio understanding model; 2) a systematic comparison of different architectural, training, and inference design choices for TTA models; 3) an analysis of sampling methods and their Pareto curves with respect to generation quality and inference speed. We leverage the knowledge obtained from this extensive analysis to propose our best model dubbed Elucidated Text-To-Audio (ETTA). When evaluated on AudioCaps and MusicCaps, ETTA provides improvements over the baselines trained on publicly available data, while being competitive with models trained on proprietary data. Finally, we show ETTA's improved ability to generate creative audio following complex and imaginative captions -- a task that is more challenging than current benchmarks.

The performance gap between closed-source and open-source large language models (LLMs) is largely attributed to disparities in access to high-quality training data. To bridge this gap, we introduce a novel framework for the automated synthesis of sophisticated, research-grade instructional data. Our approach centers on a multi-agent workflow where collaborative AI agents simulate complex tool-integrated reasoning to generate diverse and high-fidelity data end-to-end. Leveraging this synthesized data, we develop a two-stage training strategy that integrates supervised fine-tuning with a novel reinforcement learning method, designed to maximize model alignment and capability. Extensive experiments demonstrate that our framework empowers open-source models across multiple scales, enabling them to achieve new state-of-the-art performance on the major deep research benchmark. This work provides a scalable and effective pathway for advancing open-source LLMs without relying on proprietary data or models.

Generative models are becoming a tool of choice for exploring the molecular space. These models learn on a large training dataset and produce novel molecular structures with similar properties. Generated structures can be utilized for virtual screening or training semi-supervised predictive models in the downstream tasks. While there are plenty of generative models, it is unclear how to compare and rank them. In this work, we introduce a benchmarking platform called Molecular Sets (MOSES) to standardize training and comparison of molecular generative models. MOSES provides a training and testing datasets, and a set of metrics to evaluate the quality and diversity of generated structures. We have implemented and compared several molecular generation models and suggest to use our results as reference points for further advancements in generative chemistry research. The platform and source code are available at https://github.com/molecularsets/moses.

This paper introduces FALL-E, a foley synthesis system and its training/inference strategies. The FALL-E model employs a cascaded approach comprising low-resolution spectrogram generation, spectrogram super-resolution, and a vocoder. We trained every sound-related model from scratch using our extensive datasets, and utilized a pre-trained language model. We conditioned the model with dataset-specific texts, enabling it to learn sound quality and recording environment based on text input. Moreover, we leveraged external language models to improve text descriptions of our datasets and performed prompt engineering for quality, coherence, and diversity. FALL-E was evaluated by an objective measure as well as listening tests in the DCASE 2023 challenge Task 7. The submission achieved the second place on average, while achieving the best score for diversity, second place for audio quality, and third place for class fitness.

Recent advances in large language models (LLMs) have demonstrated transformative potential across diverse fields. While LLMs have been applied to molecular simplified molecular input line entry system (SMILES) in computer-aided synthesis planning (CASP), existing methodologies typically address single tasks, such as precursor prediction. We introduce ChemBART, a SMILES-based LLM pre-trained on chemical reactions, which enables a unified model for multiple downstream chemical tasks--achieving the paradigm of "one model, one pre-training, multiple tasks." By leveraging outputs from a mask-filling pre-training task on reaction expressions, ChemBART effectively solves a variety of chemical problems, including precursor/reagent generation, temperature-yield regression, molecular property classification, and optimizing the policy and value functions within a reinforcement learning framework, integrated with Monte Carlo tree search for multi-step synthesis route design. Unlike single-molecule pre-trained LLMs constrained to specific applications, ChemBART addresses broader chemical challenges and integrates them for comprehensive synthesis planning. Crucially, ChemBART-designed multi-step synthesis routes and reaction conditions directly inspired wet-lab validation, which confirmed shorter pathways with ~30% yield improvement over literature benchmarks. Our work validates the power of reaction-focused pre-training and showcases the broad utility of ChemBART in advancing the complete synthesis planning cycle.

Constructing scientific multimodal document reasoning datasets for foundation model training involves an inherent trade-off among scale, faithfulness, and realism. To address this challenge, we introduce the synthesize-and-reground framework, a two-stage pipeline comprising: (1) Claim-Centric QA Synthesis, which generates faithful, isolated QA pairs and reasoning on focused segments, and (2) Document-Scale Regrounding, which programmatically re-embeds these pairs into full-document tasks to ensure realistic complexity. Using this framework, we construct SciMDR, a large-scale training dataset for cross-modal comprehension, comprising 300K QA pairs with explicit reasoning chains across 20K scientific papers. We further construct SciMDR-Eval, an expert-annotated benchmark to evaluate multimodal comprehension within full-length scientific workflows. Experiments demonstrate that models fine-tuned on SciMDR achieve significant improvements across multiple scientific QA benchmarks, particularly in those tasks requiring complex document-level reasoning.

We present ESPnet-SpeechLM, an open toolkit designed to democratize the development of speech language models (SpeechLMs) and voice-driven agentic applications. The toolkit standardizes speech processing tasks by framing them as universal sequential modeling problems, encompassing a cohesive workflow of data preprocessing, pre-training, inference, and task evaluation. With ESPnet-SpeechLM, users can easily define task templates and configure key settings, enabling seamless and streamlined SpeechLM development. The toolkit ensures flexibility, efficiency, and scalability by offering highly configurable modules for every stage of the workflow. To illustrate its capabilities, we provide multiple use cases demonstrating how competitive SpeechLMs can be constructed with ESPnet-SpeechLM, including a 1.7B-parameter model pre-trained on both text and speech tasks, across diverse benchmarks. The toolkit and its recipes are fully transparent and reproducible at: https://github.com/espnet/espnet/tree/speechlm.

We present Subtractive Training, a simple and novel method for synthesizing individual musical instrument stems given other instruments as context. This method pairs a dataset of complete music mixes with 1) a variant of the dataset lacking a specific stem, and 2) LLM-generated instructions describing how the missing stem should be reintroduced. We then fine-tune a pretrained text-to-audio diffusion model to generate the missing instrument stem, guided by both the existing stems and the text instruction. Our results demonstrate Subtractive Training's efficacy in creating authentic drum stems that seamlessly blend with the existing tracks. We also show that we can use the text instruction to control the generation of the inserted stem in terms of rhythm, dynamics, and genre, allowing us to modify the style of a single instrument in a full song while keeping the remaining instruments the same. Lastly, we extend this technique to MIDI formats, successfully generating compatible bass, drum, and guitar parts for incomplete arrangements.

This paper introduces an extendable modular system that compiles a range of music feature extraction models to aid music information retrieval research. The features include musical elements like key, downbeats, and genre, as well as audio characteristics like instrument recognition, vocals/instrumental classification, and vocals gender detection. The integrated models are state-of-the-art or latest open-source. The features can be extracted as latent or post-processed labels, enabling integration into music applications such as generative music, recommendation, and playlist generation. The modular design allows easy integration of newly developed systems, making it a good benchmarking and comparison tool. This versatile toolkit supports the research community in developing innovative solutions by providing concrete musical features.

The success of language models, especially transformer-based architectures, has trickled into other domains giving rise to "scientific language models" that operate on small molecules, proteins or polymers. In chemistry, language models contribute to accelerating the molecule discovery cycle as evidenced by promising recent findings in early-stage drug discovery. Here, we review the role of language models in molecular discovery, underlining their strength in de novo drug design, property prediction and reaction chemistry. We highlight valuable open-source software assets thus lowering the entry barrier to the field of scientific language modeling. Last, we sketch a vision for future molecular design that combines a chatbot interface with access to computational chemistry tools. Our contribution serves as a valuable resource for researchers, chemists, and AI enthusiasts interested in understanding how language models can and will be used to accelerate chemical discovery.

Amphion is an open-source toolkit for Audio, Music, and Speech Generation, designed to lower the entry barrier for junior researchers and engineers in these fields. It provides a versatile framework that supports a variety of generation tasks and models. In this report, we introduce Amphion v0.2, the second major release developed in 2024. This release features a 100K-hour open-source multilingual dataset, a robust data preparation pipeline, and novel models for tasks such as text-to-speech, audio coding, and voice conversion. Furthermore, the report includes multiple tutorials that guide users through the functionalities and usage of the newly released models.

Recent breakthroughs in large language modeling have facilitated rigorous exploration of their application in diverse tasks related to tabular data modeling, such as prediction, tabular data synthesis, question answering, and table understanding. Each task presents unique challenges and opportunities. However, there is currently a lack of comprehensive review that summarizes and compares the key techniques, metrics, datasets, models, and optimization approaches in this research domain. This survey aims to address this gap by consolidating recent progress in these areas, offering a thorough survey and taxonomy of the datasets, metrics, and methodologies utilized. It identifies strengths, limitations, unexplored territories, and gaps in the existing literature, while providing some insights for future research directions in this vital and rapidly evolving field. It also provides relevant code and datasets references. Through this comprehensive review, we hope to provide interested readers with pertinent references and insightful perspectives, empowering them with the necessary tools and knowledge to effectively navigate and address the prevailing challenges in the field.

Programming-by-example is the task of synthesizing a program that is consistent with a set of user-provided input-output examples. As examples are often an under-specification of one's intent, a good synthesizer must choose the intended program from the many that are consistent with the given set of examples. Prior work frames program synthesis as a cooperative game between a listener (that synthesizes programs) and a speaker (a user choosing examples), and shows that models of computational pragmatic inference are effective in choosing the user intended programs. However, these models require counterfactual reasoning over a large set of programs and examples, which is infeasible in realistic program spaces. In this paper, we propose a novel way to amortize this search with neural networks. We sample pairs of programs and examples via self-play between listener and speaker models, and use pragmatic inference to choose informative training examples from this sample.We then use the informative dataset to train models to improve the synthesizer's ability to disambiguate user-provided examples without human supervision. We validate our method on the challenging task of synthesizing regular expressions from example strings, and find that our method (1) outperforms models trained without choosing pragmatic examples by 23% (a 51% relative increase) (2) matches the performance of supervised learning on a dataset of pragmatic examples provided by humans, despite using no human data in training.

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.

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs propose can often be challenging to make, and are almost never compatible with automated synthesis approaches. To better enable the discovery of functional small molecules, LLMs need to learn a new molecular language that is more effective in predicting properties and inherently synced with automated synthesis technology. Current molecule LLMs are limited by representing molecules based on atoms. In this paper, we argue that just like tokenizing texts into meaning-bearing (sub-)word tokens instead of characters, molecules should be tokenized at the level of functional building blocks, i.e., parts of molecules that bring unique functions and serve as effective building blocks for real-world automated laboratory synthesis. This motivates us to propose mCLM, a modular Chemical-Language Model that comprises a bilingual language model that understands both natural language descriptions of functions and molecular blocks. mCLM front-loads synthesizability considerations while improving the predicted functions of molecules in a principled manner. mCLM, with only 3B parameters, achieves improvements in synthetic accessibility relative to 7 other leading generative AI methods including GPT-5. When tested on 122 out-of-distribution medicines using only building blocks/tokens that are compatible with automated modular synthesis, mCLM outperforms all baselines in property scores and synthetic accessibility. mCLM can also reason on multiple functions and iteratively self-improve to rescue drug candidates that failed late in clinical trials ("fallen angels").

This paper introduces corpus-guided top-down synthesis as a mechanism for synthesizing library functions that capture common functionality from a corpus of programs in a domain specific language (DSL). The algorithm builds abstractions directly from initial DSL primitives, using syntactic pattern matching of intermediate abstractions to intelligently prune the search space and guide the algorithm towards abstractions that maximally capture shared structures in the corpus. We present an implementation of the approach in a tool called Stitch and evaluate it against the state-of-the-art deductive library learning algorithm from DreamCoder. Our evaluation shows that Stitch is 3-4 orders of magnitude faster and uses 2 orders of magnitude less memory while maintaining comparable or better library quality (as measured by compressivity). We also demonstrate Stitch's scalability on corpora containing hundreds of complex programs that are intractable with prior deductive approaches and show empirically that it is robust to terminating the search procedure early -- further allowing it to scale to challenging datasets by means of early stopping.

Retrieval-augmented systems are typically evaluated in settings where information required to answer the query can be found within a single source or the answer is short-form or factoid-based. However, many real-world applications demand the ability to integrate and summarize information scattered across multiple sources, where no single source is sufficient to respond to the user's question. In such settings, the retrieval component of a RAG pipeline must recognize a variety of relevance signals, and the generation component must connect and synthesize information across multiple sources. We present a scalable framework for constructing evaluation benchmarks that challenge RAG systems to integrate information across distinct sources and generate long-form responses. Using our framework, we build two new benchmarks on Multi-Source Retrieval and Synthesis: MSRS-Story and MSRS-Meet, representing narrative synthesis and summarization tasks, respectively, that require retrieval from large collections. Our extensive experiments with various RAG pipelines -- including sparse and dense retrievers combined with frontier LLMs -- reveal that generation quality is highly dependent on retrieval effectiveness, which varies greatly by task. While multi-source synthesis proves challenging even in an oracle retrieval setting, we find that reasoning models significantly outperform standard LLMs at this distinct step.

Recent advances in generative models have made it possible to create high-quality, coherent music, with some systems delivering production-level output. Yet, most existing models focus solely on generating music from scratch, limiting their usefulness for musicians who want to integrate such models into a human, iterative composition workflow. In this paper we introduce STAGE, our STemmed Accompaniment GEneration model, fine-tuned from the state-of-the-art MusicGen to generate single-stem instrumental accompaniments conditioned on a given mixture. Inspired by instruction-tuning methods for language models, we extend the transformer's embedding matrix with a context token, enabling the model to attend to a musical context through prefix-based conditioning. Compared to the baselines, STAGE yields accompaniments that exhibit stronger coherence with the input mixture, higher audio quality, and closer alignment with textual prompts. Moreover, by conditioning on a metronome-like track, our framework naturally supports tempo-constrained generation, achieving state-of-the-art alignment with the target rhythmic structure--all without requiring any additional tempo-specific module. As a result, STAGE offers a practical, versatile tool for interactive music creation that can be readily adopted by musicians in real-world workflows.

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.

Machine learning (ML) techniques have been applied to high-level synthesis (HLS) flows for quality-of-result (QoR) prediction and design space exploration (DSE). Nevertheless, the scarcity of accessible high-quality HLS datasets and the complexity of building such datasets present challenges. Existing datasets have limitations in terms of benchmark coverage, design space enumeration, vendor extensibility, or lack of reproducible and extensible software for dataset construction. Many works also lack user-friendly ways to add more designs, limiting wider adoption of such datasets. In response to these challenges, we introduce HLSFactory, a comprehensive framework designed to facilitate the curation and generation of high-quality HLS design datasets. HLSFactory has three main stages: 1) a design space expansion stage to elaborate single HLS designs into large design spaces using various optimization directives across multiple vendor tools, 2) a design synthesis stage to execute HLS and FPGA tool flows concurrently across designs, and 3) a data aggregation stage for extracting standardized data into packaged datasets for ML usage. This tripartite architecture ensures broad design space coverage via design space expansion and supports multiple vendor tools. Users can contribute to each stage with their own HLS designs and synthesis results and extend the framework itself with custom frontends and tool flows. We also include an initial set of built-in designs from common HLS benchmarks curated open-source HLS designs. We showcase the versatility and multi-functionality of our framework through seven case studies: I) ML model for QoR prediction; II) Design space sampling; III) Fine-grained parallelism backend speedup; IV) Targeting Intel's HLS flow; V) Adding new auxiliary designs; VI) Integrating published HLS data; VII) HLS tool version regression benchmarking.

OpenNMT is an open-source toolkit for neural machine translation (NMT). The system prioritizes efficiency, modularity, and extensibility with the goal of supporting NMT research into model architectures, feature representations, and source modalities, while maintaining competitive performance and reasonable training requirements. The toolkit consists of modeling and translation support, as well as detailed pedagogical documentation about the underlying techniques. OpenNMT has been used in several production MT systems, modified for numerous research papers, and is implemented across several deep learning frameworks.

Electronic synthesizer sounds are controlled by presets, parameters settings that yield complex timbral characteristics and ADSR envelopes, making preset conversion particularly challenging. Recent approaches to timbre transfer often rely on spectral objectives or implicit style matching, offering limited control over envelope shaping. Moreover, public synthesizer datasets rarely provide diverse coverage of timbres and ADSR envelopes. To address these gaps, we present SynthCloner, a factorized codec model that disentangles audio into three attributes: ADSR envelope, timbre, and content. This separation enables expressive synthesizer preset conversion with independent control over these three attributes. Additionally, we introduce SynthCAT, a new synthesizer dataset with a task-specific rendering pipeline covering 250 timbres, 120 ADSR envelopes, and 100 MIDI sequences. Experiments show that SynthCloner outperforms baselines on both objective and subjective metrics, while enabling independent attribute control. The code, model checkpoint, and audio examples are available at https://buffett0323.github.io/synthcloner/.

Identifying reliable synthesis pathways in materials chemistry is a complex task, particularly in polymer science, due to the intricate and often non-unique nomenclature of macromolecules. To address this challenge, we propose an agent system that integrates large language models (LLMs) and knowledge graphs (KGs). By leveraging LLMs' powerful capabilities for extracting and recognizing chemical substance names, and storing the extracted data in a structured knowledge graph, our system fully automates the retrieval of relevant literatures, extraction of reaction data, database querying, construction of retrosynthetic pathway trees, further expansion through the retrieval of additional literature and recommendation of optimal reaction pathways. A novel Multi-branched Reaction Pathway Search (MBRPS) algorithm enables the exploration of all pathways, with a particular focus on multi-branched ones, helping LLMs overcome weak reasoning in multi-branched paths. This work represents the first attempt to develop a fully automated retrosynthesis planning agent tailored specially for macromolecules powered by LLMs. Applied to polyimide synthesis, our new approach constructs a retrosynthetic pathway tree with hundreds of pathways and recommends optimized routes, including both known and novel pathways, demonstrating its effectiveness and potential for broader applications.

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.

Although humans engaged in face-to-face conversation simultaneously communicate both verbally and non-verbally, methods for joint and unified synthesis of speech audio and co-speech 3D gesture motion from text are a new and emerging field. These technologies hold great promise for more human-like, efficient, expressive, and robust synthetic communication, but are currently held back by the lack of suitably large datasets, as existing methods are trained on parallel data from all constituent modalities. Inspired by student-teacher methods, we propose a straightforward solution to the data shortage, by simply synthesising additional training material. Specifically, we use unimodal synthesis models trained on large datasets to create multimodal (but synthetic) parallel training data, and then pre-train a joint synthesis model on that material. In addition, we propose a new synthesis architecture that adds better and more controllable prosody modelling to the state-of-the-art method in the field. Our results confirm that pre-training on large amounts of synthetic data improves the quality of both the speech and the motion synthesised by the multimodal model, with the proposed architecture yielding further benefits when pre-trained on the synthetic data. See https://shivammehta25.github.io/MAGI/ for example output.

We automate deep step-by step reasoning in an LLM dialog thread by recursively exploring alternatives (OR-nodes) and expanding details (AND-nodes) up to a given depth. Starting from a single succinct task-specific initiator we steer the automated dialog thread to stay focussed on the task by synthesizing a prompt that summarizes the depth-first steps taken so far. Our algorithm is derived from a simple recursive descent implementation of a Horn Clause interpreter, except that we accommodate our logic engine to fit the natural language reasoning patterns LLMs have been trained on. Semantic similarity to ground-truth facts or oracle advice from another LLM instance is used to restrict the search space and validate the traces of justification steps returned as answers. At the end, the unique minimal model of a generated Horn Clause program collects the results of the reasoning process. As applications, we sketch implementations of consequence predictions, causal explanations, recommendation systems and topic-focussed exploration of scientific literature.

This paper introduces a new end-to-end text-to-speech (E2E-TTS) toolkit named ESPnet-TTS, which is an extension of the open-source speech processing toolkit ESPnet. The toolkit supports state-of-the-art E2E-TTS models, including Tacotron~2, Transformer TTS, and FastSpeech, and also provides recipes inspired by the Kaldi automatic speech recognition (ASR) toolkit. The recipes are based on the design unified with the ESPnet ASR recipe, providing high reproducibility. The toolkit also provides pre-trained models and samples of all of the recipes so that users can use it as a baseline. Furthermore, the unified design enables the integration of ASR functions with TTS, e.g., ASR-based objective evaluation and semi-supervised learning with both ASR and TTS models. This paper describes the design of the toolkit and experimental evaluation in comparison with other toolkits. The experimental results show that our models can achieve state-of-the-art performance comparable to the other latest toolkits, resulting in a mean opinion score (MOS) of 4.25 on the LJSpeech dataset. The toolkit is publicly available at https://github.com/espnet/espnet.

This paper presents a comprehensive systematic review of generative models (GANs, VAEs, DMs, and LLMs) used to synthesize various medical data types, including imaging (dermoscopic, mammographic, ultrasound, CT, MRI, and X-ray), text, time-series, and tabular data (EHR). Unlike previous narrowly focused reviews, our study encompasses a broad array of medical data modalities and explores various generative models. Our search strategy queries databases such as Scopus, PubMed, and ArXiv, focusing on recent works from January 2021 to November 2023, excluding reviews and perspectives. This period emphasizes recent advancements beyond GANs, which have been extensively covered previously. The survey reveals insights from three key aspects: (1) Synthesis applications and purpose of synthesis, (2) generation techniques, and (3) evaluation methods. It highlights clinically valid synthesis applications, demonstrating the potential of synthetic data to tackle diverse clinical requirements. While conditional models incorporating class labels, segmentation masks and image translations are prevalent, there is a gap in utilizing prior clinical knowledge and patient-specific context, suggesting a need for more personalized synthesis approaches and emphasizing the importance of tailoring generative approaches to the unique characteristics of medical data. Additionally, there is a significant gap in using synthetic data beyond augmentation, such as for validation and evaluation of downstream medical AI models. The survey uncovers that the lack of standardized evaluation methodologies tailored to medical images is a barrier to clinical application, underscoring the need for in-depth evaluation approaches, benchmarking, and comparative studies to promote openness and collaboration.

We present the Melody Guided Music Generation (MMGen) model, the first novel approach using melody to guide the music generation that, despite a pretty simple method and extremely limited resources, achieves excellent performance. Specifically, we first align the melody with audio waveforms and their associated descriptions using the multimodal alignment module. Subsequently, we condition the diffusion module on the learned melody representations. This allows MMGen to generate music that matches the style of the provided audio while also producing music that reflects the content of the given text description. To address the scarcity of high-quality data, we construct a multi-modal dataset, MusicSet, which includes melody, text, and audio, and will be made publicly available. We conduct extensive experiments which demonstrate the superiority of the proposed model both in terms of experimental metrics and actual performance quality.

We present MIDI-LLM, an LLM for generating multitrack MIDI music from free-form text prompts. Our approach expands a text LLM's vocabulary to include MIDI tokens, and uses a two-stage training recipe to endow text-to-MIDI abilities. By preserving the original LLM's parameter structure, we can directly leverage the vLLM library for accelerated inference. Experiments show that MIDI-LLM achieves higher quality, better text control, and faster inference compared to the recent Text2midi model. Live demo at https://midi-llm-demo.vercel.app.

The success of Large Language Models (LLMs) is inherently linked to the availability of vast, diverse, and high-quality data for training and evaluation. However, the growth rate of high-quality data is significantly outpaced by the expansion of training datasets, leading to a looming data exhaustion crisis. This underscores the urgent need to enhance data efficiency and explore new data sources. In this context, synthetic data has emerged as a promising solution. Currently, data generation primarily consists of two major approaches: data augmentation and synthesis. This paper comprehensively reviews and summarizes data generation techniques throughout the lifecycle of LLMs, including data preparation, pre-training, fine-tuning, instruction-tuning, preference alignment, and applications. Furthermore, We discuss the current constraints faced by these methods and investigate potential pathways for future development and research. Our aspiration is to equip researchers with a clear understanding of these methodologies, enabling them to swiftly identify appropriate data generation strategies in the construction of LLMs, while providing valuable insights for future exploration.

Purpose: This work explores the use of external phrase break prediction models to enhance listener comprehension in End-to-End Text-to-Speech (TTS) systems. Methods: The effectiveness of these models is evaluated based on listener preferences in subjective tests. Two approaches are explored: (1) a bidirectional LSTM model with task-specific embeddings trained from scratch, and (2) a pre-trained BERT model fine-tuned on phrase break prediction. Both models are trained on a multi-speaker English corpus to predict phrase break locations in text. The End-to-End TTS system used comprises a Tacotron2 model with Dynamic Convolutional Attention for mel spectrogram prediction and a WaveRNN vocoder for waveform generation. Results: The listening tests show a clear preference for text synthesized with predicted phrase breaks over text synthesized without them. Conclusion: These results confirm the value of incorporating external phrasing models within End-to-End TTS to enhance listener comprehension.

Enabling Large Language Models (LLMs) to effectively utilize tools in multi-turn interactions is essential for building capable autonomous agents. However, acquiring diverse and realistic multi-turn tool-use data remains a significant challenge. In this work, we propose a novel text-based paradigm. We observe that textual corpora naturally contain rich, multi-step problem-solving experiences, which can serve as an untapped, scalable, and authentic data source for multi-turn tool-use tasks. Based on this insight, we introduce GEM, a data synthesis pipeline that enables the generation and extraction of multi-turn tool-use trajectories from text corpora through a four-stage process: relevance filtering, workflow & tool extraction, trajectory grounding, and complexity refinement. To reduce the computational cost, we further train a specialized Trajectory Synthesizer via supervised fine-tuning. This model distills the complex generation pipeline into an efficient, end-to-end trajectory generator. Experiments demonstrate that our GEM-32B achieve a 16.5% improvement on the BFCL V3 Multi-turn benchmark. Our models partially surpass the performance of models trained on τ - bench (Airline and Retail) in-domain data, highlighting the superior generalization capability derived from our text-based synthesis paradigm. Notably, our Trajectory Synthesizer matches the quality of the full pipeline while significantly reducing inference latency and costs.

This systematic review explores the application of Large Language Models (LLMs) in Combinatorial Optimization (CO). We report our findings using the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines. We conduct a literature search via Scopus and Google Scholar, examining over 2,000 publications. We assess publications against four inclusion and four exclusion criteria related to their language, research focus, publication year, and type. Eventually, we select 103 studies. We classify these studies into semantic categories and topics to provide a comprehensive overview of the field, including the tasks performed by LLMs, the architectures of LLMs, the existing datasets specifically designed for evaluating LLMs in CO, and the field of application. Finally, we identify future directions for leveraging LLMs in this field.

We introduce an open source high-quality Mandarin TTS dataset MSceneSpeech (Multiple Scene Speech Dataset), which is intended to provide resources for expressive speech synthesis. MSceneSpeech comprises numerous audio recordings and texts performed and recorded according to daily life scenarios. Each scenario includes multiple speakers and a diverse range of prosodic styles, making it suitable for speech synthesis that entails multi-speaker style and prosody modeling. We have established a robust baseline, through the prompting mechanism, that can effectively synthesize speech characterized by both user-specific timbre and scene-specific prosody with arbitrary text input. The open source MSceneSpeech Dataset and audio samples of our baseline are available at https://speechai-demo.github.io/MSceneSpeech/.

We explore the use of neural synthesis for acoustic guitar from string-wise MIDI input. We propose four different systems and compare them with both objective metrics and subjective evaluation against natural audio and a sample-based baseline. We iteratively develop these four systems by making various considerations on the architecture and intermediate tasks, such as predicting pitch and loudness control features. We find that formulating the control feature prediction task as a classification task rather than a regression task yields better results. Furthermore, we find that our simplest proposed system, which directly predicts synthesis parameters from MIDI input performs the best out of the four proposed systems. Audio examples are available at https://erl-j.github.io/neural-guitar-web-supplement.

Choral singing, a widely practiced form of ensemble singing, lacks comprehensive datasets in the realm of Music Information Retrieval (MIR) research, due to challenges arising from the requirement to curate multitrack recordings. To address this, we devised a novel methodology, leveraging state-of-the-art synthesizers to create and curate quality renditions. The scores were sourced from Choral Public Domain Library(CPDL). This work is done in collaboration with a diverse team of musicians, software engineers and researchers. The resulting dataset, complete with its associated metadata, and methodology is released as part of this work, opening up new avenues for exploration and advancement in the field of singing voice research.

Recent advancements in generative models have unlocked the capabilities to render photo-realistic data in a controllable fashion. Trained on the real data, these generative models are capable of producing realistic samples with minimal to no domain gap, as compared to the traditional graphics rendering. However, using the data generated using such models for training downstream tasks remains under-explored, mainly due to the lack of 3D consistent annotations. Moreover, controllable generative models are learned from massive data and their latent space is often too vast to obtain meaningful sample distributions for downstream task with limited generation. To overcome these challenges, we extract 3D consistent annotations from an existing controllable generative model, making the data useful for downstream tasks. Our experiments show competitive performance against state-of-the-art models using only generated synthetic data, demonstrating potential for solving downstream tasks. Project page: https://synth-forge.github.io

Contemporary automated scientific discovery has focused on agents for generating scientific experiments, while systems that perform higher-level scientific activities such as theory building remain underexplored. In this work, we formulate the problem of synthesizing theories consisting of qualitative and quantitative laws from large corpora of scientific literature. We study theory generation at scale, using 13.7k source papers to synthesize 2.9k theories, examining how generation using literature-grounding versus parametric knowledge, and accuracy-focused versus novelty-focused generation objectives change theory properties. Our experiments show that, compared to using parametric LLM memory for generation, our literature-supported method creates theories that are significantly better at both matching existing evidence and at predicting future results from 4.6k subsequently-written papers

Large language models (LLMs) have recently demonstrated promising capabilities in chemistry tasks while still facing challenges due to outdated pretraining knowledge and the difficulty of incorporating specialized chemical expertise. To address these issues, we propose an LLM-based agent that synergistically integrates 137 external chemical tools created ranging from basic information retrieval to complex reaction predictions, and a dataset curation pipeline to generate the dataset ChemToolBench that facilitates both effective tool selection and precise parameter filling during fine-tuning and evaluation. We introduce a Hierarchical Evolutionary Monte Carlo Tree Search (HE-MCTS) framework, enabling independent optimization of tool planning and execution. By leveraging self-generated data, our approach supports step-level fine-tuning (FT) of the policy model and training task-adaptive PRM and ORM that surpass GPT-4o. Experimental evaluations demonstrate that our approach significantly improves performance in Chemistry QA and discovery tasks, offering a robust solution to integrate specialized tools with LLMs for advanced chemical applications. All datasets and code are available at https://github.com/AI4Chem/ChemistryAgent .

Program synthesis is challenging largely because of the difficulty of search in a large space of programs. Human programmers routinely tackle the task of writing complex programs by writing sub-programs and then analyzing their intermediate results to compose them in appropriate ways. Motivated by this intuition, we present a new synthesis approach that leverages learning to guide a bottom-up search over programs. In particular, we train a model to prioritize compositions of intermediate values during search conditioned on a given set of input-output examples. This is a powerful combination because of several emergent properties. First, in bottom-up search, intermediate programs can be executed, providing semantic information to the neural network. Second, given the concrete values from those executions, we can exploit rich features based on recent work on property signatures. Finally, bottom-up search allows the system substantial flexibility in what order to generate the solution, allowing the synthesizer to build up a program from multiple smaller sub-programs. Overall, our empirical evaluation finds that the combination of learning and bottom-up search is remarkably effective, even with simple supervised learning approaches. We demonstrate the effectiveness of our technique on two datasets, one from the SyGuS competition and one of our own creation.

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal inputs. To advance the new field of LLM for molecular discovery, this survey provides an up-to-date and forward-looking review of the emerging use of LLMs for two central tasks: molecule generation and molecule optimization. Based on our proposed taxonomy for both problems, we analyze representative techniques in each category, highlighting how LLM capabilities are leveraged across different learning settings. In addition, we include the commonly used datasets and evaluation protocols. We conclude by discussing key challenges and future directions, positioning this survey as a resource for researchers working at the intersection of LLMs and molecular science. A continuously updated reading list is available at https://github.com/REAL-Lab-NU/Awesome-LLM-Centric-Molecular-Discovery.

Language-molecule models have emerged as an exciting direction for molecular discovery and understanding. However, training these models is challenging due to the scarcity of molecule-language pair datasets. At this point, datasets have been released which are 1) small and scraped from existing databases, 2) large but noisy and constructed by performing entity linking on the scientific literature, and 3) built by converting property prediction datasets to natural language using templates. In this document, we detail the L+M-24 dataset, which has been created for the Language + Molecules Workshop shared task at ACL 2024. In particular, L+M-24 is designed to focus on three key benefits of natural language in molecule design: compositionality, functionality, and abstraction.

Chemistry literature synthesis often requires assembling specific findings scattered across many publications, yet existing literature-search systems primarily return ranked document lists. As a result, scientists and AI agents need to locate relevant information, verify their provenance, and assemble cross-paper answers manually. We present AskChem, a claim-centered infrastructure for cross-paper chemistry search. AskChem changes the unit of retrieval from the paper to the provenance-carrying claim: each paper is converted into atomic, typed claims, each grounded by a source DOI and a verbatim quote or an explicit evidence locator. Over this shared claim store, AskChem exposes complementary structures for search and synthesis: a stabilized faceted taxonomy for hierarchical retrieval and browsing, an evidence graph linking claims through relations, and an exploratory living taxonomy that situates indexed papers under scientific principles. AskChem currently indexes 2.4M claims from 147K papers and provides a web interface, as well as REST, SDK, and MCP access for AI agents. On AskChem-Bench, grounding a GPT-5.5 reader in AskChem yields 100% resolvable DOIs, compared with 88.3% without retrieval, and the highest citation density among five tested systems. AskChem is live at https://askchem.org.