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Dec 26

EoS-FM: Can an Ensemble of Specialist Models act as a Generalist Feature Extractor?

Recent advances in foundation models have shown great promise in domains such as natural language processing and computer vision, and similar efforts are now emerging in the Earth Observation community. These models aim to generalize across tasks with limited supervision, reducing the need for training separate models for each task. However, current strategies, which largely focus on scaling model size and dataset volume, require prohibitive computational and data resources, limiting accessibility to only a few large institutions. Moreover, this paradigm of ever-larger models stands in stark contrast with the principles of sustainable and environmentally responsible AI, as it leads to immense carbon footprints and resource inefficiency. In this work, we present a novel and efficient alternative: an Ensemble-of-Specialists framework for building Remote Sensing Foundation Models (RSFMs). Our method decomposes the training process into lightweight, task-specific ConvNeXtV2 specialists that can be frozen and reused. This modular approach offers strong advantages in efficiency, interpretability, and extensibility. Moreover, it naturally supports federated training, pruning, and continuous specialist integration, making it particularly well-suited for collaborative and resource-constrained settings. Our framework sets a new direction for building scalable and efficient RSFMs. All codes and pretrained models are available at https://github.com/pierreadorni/EoS-FM.

  • 4 authors
·
Nov 26

ResAdapter: Domain Consistent Resolution Adapter for Diffusion Models

Recent advancement in text-to-image models (e.g., Stable Diffusion) and corresponding personalized technologies (e.g., DreamBooth and LoRA) enables individuals to generate high-quality and imaginative images. However, they often suffer from limitations when generating images with resolutions outside of their trained domain. To overcome this limitation, we present the Resolution Adapter (ResAdapter), a domain-consistent adapter designed for diffusion models to generate images with unrestricted resolutions and aspect ratios. Unlike other multi-resolution generation methods that process images of static resolution with complex post-process operations, ResAdapter directly generates images with the dynamical resolution. Especially, after learning a deep understanding of pure resolution priors, ResAdapter trained on the general dataset, generates resolution-free images with personalized diffusion models while preserving their original style domain. Comprehensive experiments demonstrate that ResAdapter with only 0.5M can process images with flexible resolutions for arbitrary diffusion models. More extended experiments demonstrate that ResAdapter is compatible with other modules (e.g., ControlNet, IP-Adapter and LCM-LoRA) for image generation across a broad range of resolutions, and can be integrated into other multi-resolution model (e.g., ElasticDiffusion) for efficiently generating higher-resolution images. Project link is https://res-adapter.github.io

  • 10 authors
·
Mar 4, 2024 1

Citizen Centered Climate Intelligence: Operationalizing Open Tree Data for Urban Cooling and Eco-Routing in Indian Cities

Urban climate resilience requires more than high-resolution data; it demands systems that embed data collection, interpretation, and action within the daily lives of citizens. This chapter presents a scalable, citizen-centric framework that reimagines environmental infrastructure through participatory sensing, open analytics, and prescriptive urban planning tools. Applied in Pune, India, the framework comprises three interlinked modules: (1) a smartphone-based measurement toolkit enhanced by AI segmentation to extract tree height, canopy diameter, and trunk girth; (2) a percentile-based model using satellite-derived Land Surface Temperature to calculate localized cooling through two new metrics, Cooling Efficacy and Ambient Heat Relief; and (3) an eco-routing engine that guides mobility using a Static Environmental Quality score, based on tree density, species diversity, and cumulative carbon sequestration. Together, these modules form a closed feedback loop where citizens generate actionable data and benefit from personalized, sustainable interventions. This framework transforms open data from a passive repository into an active platform for shared governance and environmental equity. In the face of growing ecological inequality and data centralization, this chapter presents a replicable model for citizen-driven urban intelligence, reframing planning as a co-produced, climate-resilient, and radically local practice.

  • 2 authors
·
Aug 25

LLaMP: Large Language Model Made Powerful for High-fidelity Materials Knowledge Retrieval and Distillation

Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences where reproducibility is crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably biased task to fine-tune them on domain-specific literature and data. Here we introduce LLaMP, a multimodal retrieval-augmented generation (RAG) framework of multiple data-aware reasoning-and-acting (ReAct) agents that dynamically interact with computational and experimental data on Materials Project (MP). Without fine-tuning, LLaMP demonstrates an ability to comprehend and integrate various modalities of materials science concepts, fetch relevant data stores on the fly, process higher-order data (such as crystal structures and elastic tensors), and summarize multi-step procedures for solid-state synthesis. We show that LLaMP effectively corrects errors in GPT-3.5's intrinsic knowledge, reducing a 5.21% MAPE on frequently-documented bandgaps and a significant 1103.54% MAPE on formation energies -- errors that GPT-3.5 seems to derive from mixed data sources. Additionally, LLaMP substantially reduces the hallucinated volumetric strain in a diamond cubic silicon structure from 66.3% to 0. The proposed framework offers an intuitive and nearly hallucination-free approach to exploring materials informatics and establishes a pathway for knowledge distillation and fine-tuning other language models. We envision the framework as a valuable component for scientific hypotheses and a foundation for future autonomous laboratories where multiple LLM agents communicate and cooperate with robotics to drive material synthesis and chemical reactions without hard-coded human logic and intervention.

  • 3 authors
·
Jan 30, 2024

GARF: Learning Generalizable 3D Reassembly for Real-World Fractures

3D reassembly is a challenging spatial intelligence task with broad applications across scientific domains. While large-scale synthetic datasets have fueled promising learning-based approaches, their generalizability to different domains is limited. Critically, it remains uncertain whether models trained on synthetic datasets can generalize to real-world fractures where breakage patterns are more complex. To bridge this gap, we propose GARF, a generalizable 3D reassembly framework for real-world fractures. GARF leverages fracture-aware pretraining to learn fracture features from individual fragments, with flow matching enabling precise 6-DoF alignments. At inference time, we introduce one-step preassembly, improving robustness to unseen objects and varying numbers of fractures. In collaboration with archaeologists, paleoanthropologists, and ornithologists, we curate Fractura, a diverse dataset for vision and learning communities, featuring real-world fracture types across ceramics, bones, eggshells, and lithics. Comprehensive experiments have shown our approach consistently outperforms state-of-the-art methods on both synthetic and real-world datasets, achieving 82.87\% lower rotation error and 25.15\% higher part accuracy. This sheds light on training on synthetic data to advance real-world 3D puzzle solving, demonstrating its strong generalization across unseen object shapes and diverse fracture types.

  • 12 authors
·
Apr 7

Integrating Large Language Models for Automated Structural Analysis

Automated analysis for engineering structures offers considerable potential for boosting efficiency by minimizing repetitive tasks. Although AI-driven methods are increasingly common, no systematic framework yet leverages Large Language Models (LLMs) for automatic structural analysis. To address this gap, we propose a novel framework that integrates LLMs with structural analysis software. LLMs serve as the core engine: they parse structural descriptions from text and translate them into executable Python scripts. Moreover, the framework integrates the generative capabilities of LLMs with code-based finite element (FE) tools like OpenSeesPy. It employs domain-specific prompt design and in-context learning strategies to enhance the LLM's problem-solving capabilities and generative stability, enabling fully automated structural analysis from descriptive text to model outputs. In our experiments, we introduce a well-curated small-scale benchmark dataset of 20 structural analysis word problems (SAWPs) with ground-truth solutions and evaluate the performance of different LLMs within our framework in solving these SAWPs. The role of system instructions, crafted by structural engineers, is also investigated to understand their impact on LLM-driven structural analysis. Additionally, the generative stability of our framework is examined. Through multiple validation experiments on the benchmark, our results demonstrate that the proposed framework can substantially increase the level of automation in solving SAWPs compared to traditional methods. Quantitatively, the framework, built on GPT-4o, achieved 100% accuracy, surpassing GPT-4 (85%), Gemini 1.5 Pro (80%), and Llama-3.3 (30%) on the test examples. Furthermore, integrating domain-specific instructions enhanced performance by 30% on problems with asymmetrical structural configurations.

  • 3 authors
·
Apr 13

ReconResNet: Regularised Residual Learning for MR Image Reconstruction of Undersampled Cartesian and Radial Data

MRI is an inherently slow process, which leads to long scan time for high-resolution imaging. The speed of acquisition can be increased by ignoring parts of the data (undersampling). Consequently, this leads to the degradation of image quality, such as loss of resolution or introduction of image artefacts. This work aims to reconstruct highly undersampled Cartesian or radial MR acquisitions, with better resolution and with less to no artefact compared to conventional techniques like compressed sensing. In recent times, deep learning has emerged as a very important area of research and has shown immense potential in solving inverse problems, e.g. MR image reconstruction. In this paper, a deep learning based MR image reconstruction framework is proposed, which includes a modified regularised version of ResNet as the network backbone to remove artefacts from the undersampled image, followed by data consistency steps that fusions the network output with the data already available from undersampled k-space in order to further improve reconstruction quality. The performance of this framework for various undersampling patterns has also been tested, and it has been observed that the framework is robust to deal with various sampling patterns, even when mixed together while training, and results in very high quality reconstruction, in terms of high SSIM (highest being 0.990pm0.006 for acceleration factor of 3.5), while being compared with the fully sampled reconstruction. It has been shown that the proposed framework can successfully reconstruct even for an acceleration factor of 20 for Cartesian (0.968pm0.005) and 17 for radially (0.962pm0.012) sampled data. Furthermore, it has been shown that the framework preserves brain pathology during reconstruction while being trained on healthy subjects.

  • 7 authors
·
Mar 16, 2021

A Multi-Level Framework for Accelerating Training Transformer Models

The fast growing capabilities of large-scale deep learning models, such as Bert, GPT and ViT, are revolutionizing the landscape of NLP, CV and many other domains. Training such models, however, poses an unprecedented demand for computing power, which incurs exponentially increasing energy cost and carbon dioxide emissions. It is thus critical to develop efficient training solutions to reduce the training costs. Motivated by a set of key observations of inter- and intra-layer similarities among feature maps and attentions that can be identified from typical training processes, we propose a multi-level framework for training acceleration. Specifically, the framework is based on three basic operators, Coalescing, De-coalescing and Interpolation, which can be orchestrated to build a multi-level training framework. The framework consists of a V-cycle training process, which progressively down- and up-scales the model size and projects the parameters between adjacent levels of models via coalescing and de-coalescing. The key idea is that a smaller model that can be trained for fast convergence and the trained parameters provides high-qualities intermediate solutions for the next level larger network. The interpolation operator is designed to break the symmetry of neurons incurred by de-coalescing for better convergence performance. Our experiments on transformer-based language models (e.g. Bert, GPT) as well as a vision model (e.g. DeiT) prove that the proposed framework reduces the computational cost by about 20% on training BERT/GPT-Base models and up to 51.6% on training the BERT-Large model while preserving the performance.

  • 3 authors
·
Apr 6, 2024

ResFormer: Scaling ViTs with Multi-Resolution Training

Vision Transformers (ViTs) have achieved overwhelming success, yet they suffer from vulnerable resolution scalability, i.e., the performance drops drastically when presented with input resolutions that are unseen during training. We introduce, ResFormer, a framework that is built upon the seminal idea of multi-resolution training for improved performance on a wide spectrum of, mostly unseen, testing resolutions. In particular, ResFormer operates on replicated images of different resolutions and enforces a scale consistency loss to engage interactive information across different scales. More importantly, to alternate among varying resolutions effectively, especially novel ones in testing, we propose a global-local positional embedding strategy that changes smoothly conditioned on input sizes. We conduct extensive experiments for image classification on ImageNet. The results provide strong quantitative evidence that ResFormer has promising scaling abilities towards a wide range of resolutions. For instance, ResFormer-B-MR achieves a Top-1 accuracy of 75.86% and 81.72% when evaluated on relatively low and high resolutions respectively (i.e., 96 and 640), which are 48% and 7.49% better than DeiT-B. We also demonstrate, moreover, ResFormer is flexible and can be easily extended to semantic segmentation, object detection and video action recognition. Code is available at https://github.com/ruitian12/resformer.

  • 6 authors
·
Dec 1, 2022

Hyperspectral Pansharpening: Critical Review, Tools and Future Perspectives

Hyperspectral pansharpening consists of fusing a high-resolution panchromatic band and a low-resolution hyperspectral image to obtain a new image with high resolution in both the spatial and spectral domains. These remote sensing products are valuable for a wide range of applications, driving ever growing research efforts. Nonetheless, results still do not meet application demands. In part, this comes from the technical complexity of the task: compared to multispectral pansharpening, many more bands are involved, in a spectral range only partially covered by the panchromatic component and with overwhelming noise. However, another major limiting factor is the absence of a comprehensive framework for the rapid development and accurate evaluation of new methods. This paper attempts to address this issue. We started by designing a dataset large and diverse enough to allow reliable training (for data-driven methods) and testing of new methods. Then, we selected a set of state-of-the-art methods, following different approaches, characterized by promising performance, and reimplemented them in a single PyTorch framework. Finally, we carried out a critical comparative analysis of all methods, using the most accredited quality indicators. The analysis highlights the main limitations of current solutions in terms of spectral/spatial quality and computational efficiency, and suggests promising research directions. To ensure full reproducibility of the results and support future research, the framework (including codes, evaluation procedures and links to the dataset) is shared on https://github.com/matciotola/hyperspectral_pansharpening_toolbox, as a single Python-based reference benchmark toolbox.

  • 7 authors
·
Jul 1, 2024

torchdistill: A Modular, Configuration-Driven Framework for Knowledge Distillation

While knowledge distillation (transfer) has been attracting attentions from the research community, the recent development in the fields has heightened the need for reproducible studies and highly generalized frameworks to lower barriers to such high-quality, reproducible deep learning research. Several researchers voluntarily published frameworks used in their knowledge distillation studies to help other interested researchers reproduce their original work. Such frameworks, however, are usually neither well generalized nor maintained, thus researchers are still required to write a lot of code to refactor/build on the frameworks for introducing new methods, models, datasets and designing experiments. In this paper, we present our developed open-source framework built on PyTorch and dedicated for knowledge distillation studies. The framework is designed to enable users to design experiments by declarative PyYAML configuration files, and helps researchers complete the recently proposed ML Code Completeness Checklist. Using the developed framework, we demonstrate its various efficient training strategies, and implement a variety of knowledge distillation methods. We also reproduce some of their original experimental results on the ImageNet and COCO datasets presented at major machine learning conferences such as ICLR, NeurIPS, CVPR and ECCV, including recent state-of-the-art methods. All the source code, configurations, log files and trained model weights are publicly available at https://github.com/yoshitomo-matsubara/torchdistill .

  • 1 authors
·
Nov 25, 2020

ReSpAct: Harmonizing Reasoning, Speaking, and Acting Towards Building Large Language Model-Based Conversational AI Agents

Large language model (LLM)-based agents have been increasingly used to interact with external environments (e.g., games, APIs, etc.) and solve tasks. However, current frameworks do not enable these agents to work with users and interact with them to align on the details of their tasks and reach user-defined goals; instead, in ambiguous situations, these agents may make decisions based on assumptions. This work introduces ReSpAct (Reason, Speak, and Act), a novel framework that synergistically combines the essential skills for building task-oriented "conversational" agents. ReSpAct addresses this need for agents, expanding on the ReAct approach. The ReSpAct framework enables agents to interpret user instructions, reason about complex tasks, execute appropriate actions, and engage in dynamic dialogue to seek guidance, clarify ambiguities, understand user preferences, resolve problems, and use the intermediate feedback and responses of users to update their plans. We evaluated ReSpAct in environments supporting user interaction, such as task-oriented dialogue (MultiWOZ) and interactive decision-making (AlfWorld, WebShop). ReSpAct is flexible enough to incorporate dynamic user feedback and addresses prevalent issues like error propagation and agents getting stuck in reasoning loops. This results in more interpretable, human-like task-solving trajectories than relying solely on reasoning traces. In two interactive decision-making benchmarks, AlfWorld and WebShop, ReSpAct outperform the strong reasoning-only method ReAct by an absolute success rate of 6% and 4%, respectively. In the task-oriented dialogue benchmark MultiWOZ, ReSpAct improved Inform and Success scores by 5.5% and 3%, respectively.

Eigen-1: Adaptive Multi-Agent Refinement with Monitor-Based RAG for Scientific Reasoning

Large language models (LLMs) have recently shown strong progress on scientific reasoning, yet two major bottlenecks remain. First, explicit retrieval fragments reasoning, imposing a hidden "tool tax" of extra tokens and steps. Second, multi-agent pipelines often dilute strong solutions by averaging across all candidates. We address these challenges with a unified framework that combines implicit retrieval and structured collaboration. At its foundation, a Monitor-based retrieval module operates at the token level, integrating external knowledge with minimal disruption to reasoning. On top of this substrate, Hierarchical Solution Refinement (HSR) iteratively designates each candidate as an anchor to be repaired by its peers, while Quality-Aware Iterative Reasoning (QAIR) adapts refinement to solution quality. On Humanity's Last Exam (HLE) Bio/Chem Gold, our framework achieves 48.3\% accuracy -- the highest reported to date, surpassing the strongest agent baseline by 13.4 points and leading frontier LLMs by up to 18.1 points, while simultaneously reducing token usage by 53.5\% and agent steps by 43.7\%. Results on SuperGPQA and TRQA confirm robustness across domains. Error analysis shows that reasoning failures and knowledge gaps co-occur in over 85\% of cases, while diversity analysis reveals a clear dichotomy: retrieval tasks benefit from solution variety, whereas reasoning tasks favor consensus. Together, these findings demonstrate how implicit augmentation and structured refinement overcome the inefficiencies of explicit tool use and uniform aggregation. Code is available at: https://github.com/tangxiangru/Eigen-1.

  • 16 authors
·
Sep 25

Discovery and recovery of crystalline materials with property-conditioned transformers

Generative models have recently shown great promise for accelerating the design and discovery of new functional materials. Conditional generation enhances this capacity by allowing inverse design, where specific desired properties can be requested during the generation process. However, conditioning of transformer-based approaches, in particular, is constrained by discrete tokenisation schemes and the risk of catastrophic forgetting during fine-tuning. This work introduces CrystaLLM-π (property injection), a conditional autoregressive framework that integrates continuous property representations directly into the transformer's attention mechanism. Two architectures, Property-Key-Value (PKV) Prefix attention and PKV Residual attention, are presented. These methods bypass inefficient sequence-level tokenisation and preserve foundational knowledge from unsupervised pre-training on Crystallographic Information Files (CIFs) as textual input. We establish the efficacy of these mechanisms through systematic robustness studies and evaluate the framework's versatility across two distinct tasks. First, for structure recovery, the model processes high-dimensional, heterogeneous X-ray diffraction patterns, achieving structural accuracy competitive with specialised models and demonstrating applications to experimental structure recovery and polymorph differentiation. Second, for materials discovery, the model is fine-tuned on a specialised photovoltaic dataset to generate novel, stable candidates validated by Density Functional Theory (DFT). It implicitly learns to target optimal band gap regions for high photovoltaic efficiency, demonstrating a capability to map complex structure-property relationships. CrystaLLM-π provides a unified, flexible, and computationally efficient framework for inverse materials design.

  • 8 authors
·
Nov 26

The Responsible Foundation Model Development Cheatsheet: A Review of Tools & Resources

Foundation model development attracts a rapidly expanding body of contributors, scientists, and applications. To help shape responsible development practices, we introduce the Foundation Model Development Cheatsheet: a growing collection of 250+ tools and resources spanning text, vision, and speech modalities. We draw on a large body of prior work to survey resources (e.g. software, documentation, frameworks, guides, and practical tools) that support informed data selection, processing, and understanding, precise and limitation-aware artifact documentation, efficient model training, advance awareness of the environmental impact from training, careful model evaluation of capabilities, risks, and claims, as well as responsible model release, licensing and deployment practices. We hope this curated collection of resources helps guide more responsible development. The process of curating this list, enabled us to review the AI development ecosystem, revealing what tools are critically missing, misused, or over-used in existing practices. We find that (i) tools for data sourcing, model evaluation, and monitoring are critically under-serving ethical and real-world needs, (ii) evaluations for model safety, capabilities, and environmental impact all lack reproducibility and transparency, (iii) text and particularly English-centric analyses continue to dominate over multilingual and multi-modal analyses, and (iv) evaluation of systems, rather than just models, is needed so that capabilities and impact are assessed in context.

  • 23 authors
·
Jun 24, 2024

Taming Feed-forward Reconstruction Models as Latent Encoders for 3D Generative Models

Recent AI-based 3D content creation has largely evolved along two paths: feed-forward image-to-3D reconstruction approaches and 3D generative models trained with 2D or 3D supervision. In this work, we show that existing feed-forward reconstruction methods can serve as effective latent encoders for training 3D generative models, thereby bridging these two paradigms. By reusing powerful pre-trained reconstruction models, we avoid computationally expensive encoder network training and obtain rich 3D latent features for generative modeling for free. However, the latent spaces of reconstruction models are not well-suited for generative modeling due to their unstructured nature. To enable flow-based model training on these latent features, we develop post-processing pipelines, including protocols to standardize the features and spatial weighting to concentrate on important regions. We further incorporate a 2D image space perceptual rendering loss to handle the high-dimensional latent spaces. Finally, we propose a multi-stream transformer-based rectified flow architecture to achieve linear scaling and high-quality text-conditioned 3D generation. Our framework leverages the advancements of feed-forward reconstruction models to enhance the scalability of 3D generative modeling, achieving both high computational efficiency and state-of-the-art performance in text-to-3D generation.

  • 4 authors
·
Dec 31, 2024

A Vector-Based Algorithm for Generating Complete Balanced Reaction Sets with Arbitrary Numbers of Reagents

We present a vector-based method to balance chemical reactions. The algorithm builds candidates in a deterministic way, removes duplicates, and always prints coefficients in the lowest whole-number form. For redox cases, electrons and protons/hydroxide are treated explicitly, so both mass and charge are balanced. We also outline the basic principles of the vector formulation of stoichiometry, interpreting reactions as integer vectors in composition space, this geometric view supports compact visualizations of reagent-product interactions and helps surface distinct reaction families. The method enumerates valid balances for arbitrary user-specified species lists without special-case balancing rules or symbolic tricks, and it provides a clean foundation for developing new algorithmic variants (e.g., alternative objectives or constraints). On representative examples (neutralization, double displacement, decomposition, classical redox, small multicomponent sets) and a negative control, the method produced correct integer balances. When multiple balances exist, we report a canonical one - minimizing the total coefficient sum with a simple tie-breaker - without claiming global optimality beyond the solutions the search enumerates. The procedure applies per reaction and extends to reaction networks via consistent per-reaction application. We do not report runtimes, broader benchmarking and code/data release are planned.

  • 3 authors
·
Oct 29

RPG: A Repository Planning Graph for Unified and Scalable Codebase Generation

Large language models excel at function- and file-level code generation, yet generating complete repositories from scratch remains a fundamental challenge. This process demands coherent and reliable planning across proposal- and implementation-level stages, while natural language, due to its ambiguity and verbosity, is ill-suited for faithfully representing complex software structures. To address this, we introduce the Repository Planning Graph (RPG), a persistent representation that unifies proposal- and implementation-level planning by encoding capabilities, file structures, data flows, and functions in one graph. RPG replaces ambiguous natural language with an explicit blueprint, enabling long-horizon planning and scalable repository generation. Building on RPG, we develop ZeroRepo, a graph-driven framework for repository generation from scratch. It operates in three stages: proposal-level planning and implementation-level refinement to construct the graph, followed by graph-guided code generation with test validation. To evaluate this setting, we construct RepoCraft, a benchmark of six real-world projects with 1,052 tasks. On RepoCraft, ZeroRepo produces repositories averaging nearly 36K LOC, roughly 3.9times the strongest baseline (Claude Code) and about 64times other baselines. It attains 81.5% functional coverage and a 69.7% pass rate, exceeding Claude Code by 27.3 and 35.8 percentage points, respectively. Further analysis shows that RPG models complex dependencies, enables progressively more sophisticated planning through near-linear scaling, and enhances LLM understanding of repositories, thereby accelerating agent localization.

  • 14 authors
·
Sep 19 21

CellForge: Agentic Design of Virtual Cell Models

Virtual cell modeling represents an emerging frontier at the intersection of artificial intelligence and biology, aiming to predict quantities such as responses to diverse perturbations quantitatively. However, autonomously building computational models for virtual cells is challenging due to the complexity of biological systems, the heterogeneity of data modalities, and the need for domain-specific expertise across multiple disciplines. Here, we introduce CellForge, an agentic system that leverages a multi-agent framework that transforms presented biological datasets and research objectives directly into optimized computational models for virtual cells. More specifically, given only raw single-cell multi-omics data and task descriptions as input, CellForge outputs both an optimized model architecture and executable code for training virtual cell models and inference. The framework integrates three core modules: Task Analysis for presented dataset characterization and relevant literature retrieval, Method Design, where specialized agents collaboratively develop optimized modeling strategies, and Experiment Execution for automated generation of code. The agents in the Design module are separated into experts with differing perspectives and a central moderator, and have to collaboratively exchange solutions until they achieve a reasonable consensus. We demonstrate CellForge's capabilities in single-cell perturbation prediction, using six diverse datasets that encompass gene knockouts, drug treatments, and cytokine stimulations across multiple modalities. CellForge consistently outperforms task-specific state-of-the-art methods. Overall, CellForge demonstrates how iterative interaction between LLM agents with differing perspectives provides better solutions than directly addressing a modeling challenge. Our code is publicly available at https://github.com/gersteinlab/CellForge.

SWEnergy: An Empirical Study on Energy Efficiency in Agentic Issue Resolution Frameworks with SLMs

Context. LLM-based autonomous agents in software engineering rely on large, proprietary models, limiting local deployment. This has spurred interest in Small Language Models (SLMs), but their practical effectiveness and efficiency within complex agentic frameworks for automated issue resolution remain poorly understood. Goal. We investigate the performance, energy efficiency, and resource consumption of four leading agentic issue resolution frameworks when deliberately constrained to using SLMs. We aim to assess the viability of these systems for this task in resource-limited settings and characterize the resulting trade-offs. Method. We conduct a controlled evaluation of four leading agentic frameworks (SWE-Agent, OpenHands, Mini SWE Agent, AutoCodeRover) using two SLMs (Gemma-3 4B, Qwen-3 1.7B) on the SWE-bench Verified Mini benchmark. On fixed hardware, we measure energy, duration, token usage, and memory over 150 runs per configuration. Results. We find that framework architecture is the primary driver of energy consumption. The most energy-intensive framework, AutoCodeRover (Gemma), consumed 9.4x more energy on average than the least energy-intensive, OpenHands (Gemma). However, this energy is largely wasted. Task resolution rates were near-zero, demonstrating that current frameworks, when paired with SLMs, consume significant energy on unproductive reasoning loops. The SLM's limited reasoning was the bottleneck for success, but the framework's design was the bottleneck for efficiency. Conclusions. Current agentic frameworks, designed for powerful LLMs, fail to operate efficiently with SLMs. We find that framework architecture is the primary driver of energy consumption, but this energy is largely wasted due to the SLMs' limited reasoning. Viable low-energy solutions require shifting from passive orchestration to architectures that actively manage SLM weaknesses.

  • 3 authors
·
Dec 10

Enhancing Automated Paper Reproduction via Prompt-Free Collaborative Agents

Automated paper reproduction has emerged as a promising approach to accelerate scientific research, employing multi-step workflow frameworks to systematically convert academic papers into executable code. However, existing frameworks often lack mechanisms to verify and refine the outputs at each generation step, or rely heavily on manually designed prompts for self-refinement, which limits their adaptability and scalability. To address these limitations, we propose a prompt-free collaborative agent framework that automatically enhances the quality of paper-to-code generation. Our approach employs two collaborative agents: a verification agent that examines whether the outputs at each step satisfy the requirements specified in the corresponding system prompt, and a refinement agent that revises the outputs based on the identified issues. Unlike previous methods that require human experts to craft specific refinement prompts for each step, our framework achieves automatic verification and improvement by leveraging only the original system prompts. We integrate our collaborative agents into the Paper2Code framework and conduct comprehensive experiments on PaperBench Code-Dev and Paper2CodeBench datasets. Experimental results demonstrate that our approach significantly improves the accuracy and completeness of reproduced code, achieving performance gains of approximately 15\% and 13\%, respectively, compared to the baseline without our agents. Furthermore, comparative experiments against Self-Refine validate the robustness and consistency of our prompt-free approach across different datasets.

  • 4 authors
·
Dec 2

Workflow is All You Need: Escaping the "Statistical Smoothing Trap" via High-Entropy Information Foraging and Adversarial Pacing

Central to long-form text generation in vertical domains is the "impossible trinity" confronting current large language models (LLMs): the simultaneous achievement of low hallucination, deep logical coherence, and personalized expression. This study establishes that this bottleneck arises from existing generative paradigms succumbing to the Statistical Smoothing Trap, a phenomenon that overlooks the high-entropy information acquisition and structured cognitive processes integral to expert-level writing. To address this limitation, we propose the DeepNews Framework, an agentic workflow that explicitly models the implicit cognitive processes of seasoned financial journalists. The framework integrates three core modules: first, a dual-granularity retrieval mechanism grounded in information foraging theory, which enforces a 10:1 saturated information input ratio to mitigate hallucinatory outputs; second, schema-guided strategic planning, a process leveraging domain expert knowledge bases (narrative schemas) and Atomic Blocks to forge a robust logical skeleton; third, adversarial constraint prompting, a technique deploying tactics including Rhythm Break and Logic Fog to disrupt the probabilistic smoothness inherent in model-generated text. Experiments delineate a salient Knowledge Cliff in deep financial reporting: content truthfulness collapses when retrieved context falls below 15,000 characters, while a high-redundancy input exceeding 30,000 characters stabilizes the Hallucination-Free Rate (HFR) above 85%. In an ecological validity blind test conducted with a top-tier Chinese technology media outlet, the DeepNews system--built on a previous-generation model (DeepSeek-V3-0324)-achieved a 25% submission acceptance rate, significantly outperforming the 0% acceptance rate of zero-shot generation by a state-of-the-art (SOTA) model (GPT-5).

  • 1 authors
·
Dec 10

When to Pre-Train Graph Neural Networks? From Data Generation Perspective!

In recent years, graph pre-training has gained significant attention, focusing on acquiring transferable knowledge from unlabeled graph data to improve downstream performance. Despite these recent endeavors, the problem of negative transfer remains a major concern when utilizing graph pre-trained models to downstream tasks. Previous studies made great efforts on the issue of what to pre-train and how to pre-train by designing a variety of graph pre-training and fine-tuning strategies. However, there are cases where even the most advanced "pre-train and fine-tune" paradigms fail to yield distinct benefits. This paper introduces a generic framework W2PGNN to answer the crucial question of when to pre-train (i.e., in what situations could we take advantage of graph pre-training) before performing effortful pre-training or fine-tuning. We start from a new perspective to explore the complex generative mechanisms from the pre-training data to downstream data. In particular, W2PGNN first fits the pre-training data into graphon bases, each element of graphon basis (i.e., a graphon) identifies a fundamental transferable pattern shared by a collection of pre-training graphs. All convex combinations of graphon bases give rise to a generator space, from which graphs generated form the solution space for those downstream data that can benefit from pre-training. In this manner, the feasibility of pre-training can be quantified as the generation probability of the downstream data from any generator in the generator space. W2PGNN offers three broad applications: providing the application scope of graph pre-trained models, quantifying the feasibility of pre-training, and assistance in selecting pre-training data to enhance downstream performance. We provide a theoretically sound solution for the first application and extensive empirical justifications for the latter two applications.

  • 8 authors
·
Mar 29, 2023

OptiBench Meets ReSocratic: Measure and Improve LLMs for Optimization Modeling

Large language models (LLMs) have exhibited their problem-solving abilities in mathematical reasoning. Solving realistic optimization (OPT) problems in application scenarios requires advanced and applied mathematics ability. However, current OPT benchmarks that merely solve linear programming are far from complex realistic situations. In this work, we propose OptiBench, a benchmark for End-to-end optimization problem-solving with human-readable inputs and outputs. OptiBench contains rich optimization problems, including linear and nonlinear programming with or without tabular data, which can comprehensively evaluate LLMs' solving ability. In our benchmark, LLMs are required to call a code solver to provide precise numerical answers. Furthermore, to alleviate the data scarcity for optimization problems, and to bridge the gap between open-source LLMs on a small scale (e.g., Llama-3-8b) and closed-source LLMs (e.g., GPT-4), we further propose a data synthesis method namely ReSocratic. Unlike general data synthesis methods that proceed from questions to answers, \ReSocratic first incrementally synthesizes formatted optimization demonstration with mathematical formulations step by step and then back-translates the generated demonstrations into questions. Based on this, we synthesize the ReSocratic-29k dataset. We further conduct supervised fine-tuning with ReSocratic-29k on multiple open-source models. Experimental results show that ReSocratic-29k significantly improves the performance of open-source models.

  • 10 authors
·
Jul 13, 2024

VideoMV: Consistent Multi-View Generation Based on Large Video Generative Model

Generating multi-view images based on text or single-image prompts is a critical capability for the creation of 3D content. Two fundamental questions on this topic are what data we use for training and how to ensure multi-view consistency. This paper introduces a novel framework that makes fundamental contributions to both questions. Unlike leveraging images from 2D diffusion models for training, we propose a dense consistent multi-view generation model that is fine-tuned from off-the-shelf video generative models. Images from video generative models are more suitable for multi-view generation because the underlying network architecture that generates them employs a temporal module to enforce frame consistency. Moreover, the video data sets used to train these models are abundant and diverse, leading to a reduced train-finetuning domain gap. To enhance multi-view consistency, we introduce a 3D-Aware Denoising Sampling, which first employs a feed-forward reconstruction module to get an explicit global 3D model, and then adopts a sampling strategy that effectively involves images rendered from the global 3D model into the denoising sampling loop to improve the multi-view consistency of the final images. As a by-product, this module also provides a fast way to create 3D assets represented by 3D Gaussians within a few seconds. Our approach can generate 24 dense views and converges much faster in training than state-of-the-art approaches (4 GPU hours versus many thousand GPU hours) with comparable visual quality and consistency. By further fine-tuning, our approach outperforms existing state-of-the-art methods in both quantitative metrics and visual effects. Our project page is aigc3d.github.io/VideoMV.

  • 11 authors
·
Mar 18, 2024

DeepScholar-Bench: A Live Benchmark and Automated Evaluation for Generative Research Synthesis

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.

  • 7 authors
·
Aug 27 2

Towards Foundation Model for Chemical Reactor Modeling: Meta-Learning with Physics-Informed Adaptation

Developing accurate models for chemical reactors is often challenging due to the complexity of reaction kinetics and process dynamics. Traditional approaches require retraining models for each new system, limiting generalizability and efficiency. In this work, we take a step toward foundation models for chemical reactor modeling by introducing a neural network framework that generalizes across diverse reactor types and rapidly adapts to new chemical processes. Our approach leverages meta-learning to pretrain the model on a broad set of reactor dynamics, enabling efficient adaptation to unseen reactions with minimal data. To further enhance generalizability, we incorporate physics-informed fine-tuning, ensuring physically consistent adaptation to new reactor conditions. Our framework is evaluated across three integer-order fundamental reactor types - continuous stirred tank reactors, batch reactors, and plug flow reactors - demonstrating superior few-shot adaptation compared to conventional data-driven, physics-informed, and transfer learning approaches. By combining meta-learning with physics-informed adaptation, this work lays the foundation for a generalizable modeling framework, advancing the development of foundation models for chemical engineering applications. Source code is available at https://github.com/killingbear999/chemical-reactor-foundation-model.

  • 2 authors
·
May 19, 2024

Build Your Personalized Research Group: A Multiagent Framework for Continual and Interactive Science Automation

The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that cannot adapt to intermediate findings, and inadequate context management that hinders long-horizon research. We present freephdlabor, an open-source multiagent framework featuring fully dynamic workflows determined by real-time agent reasoning and a \textit{modular architecture} enabling seamless customization -- users can modify, add, or remove agents to address domain-specific requirements. The framework provides comprehensive infrastructure including automatic context compaction, workspace-based communication to prevent information degradation, memory persistence across sessions, and non-blocking human intervention mechanisms. These features collectively transform automated research from isolated, single-run attempts into continual research programs that build systematically on prior explorations and incorporate human feedback. By providing both the architectural principles and practical implementation for building customizable co-scientist systems, this work aims to facilitate broader adoption of automated research across scientific domains, enabling practitioners to deploy interactive multiagent systems that autonomously conduct end-to-end research -- from ideation through experimentation to publication-ready manuscripts.

  • 7 authors
·
Oct 17 5

2L3: Lifting Imperfect Generated 2D Images into Accurate 3D

Reconstructing 3D objects from a single image is an intriguing but challenging problem. One promising solution is to utilize multi-view (MV) 3D reconstruction to fuse generated MV images into consistent 3D objects. However, the generated images usually suffer from inconsistent lighting, misaligned geometry, and sparse views, leading to poor reconstruction quality. To cope with these problems, we present a novel 3D reconstruction framework that leverages intrinsic decomposition guidance, transient-mono prior guidance, and view augmentation to cope with the three issues, respectively. Specifically, we first leverage to decouple the shading information from the generated images to reduce the impact of inconsistent lighting; then, we introduce mono prior with view-dependent transient encoding to enhance the reconstructed normal; and finally, we design a view augmentation fusion strategy that minimizes pixel-level loss in generated sparse views and semantic loss in augmented random views, resulting in view-consistent geometry and detailed textures. Our approach, therefore, enables the integration of a pre-trained MV image generator and a neural network-based volumetric signed distance function (SDF) representation for a single image to 3D object reconstruction. We evaluate our framework on various datasets and demonstrate its superior performance in both quantitative and qualitative assessments, signifying a significant advancement in 3D object reconstruction. Compared with the latest state-of-the-art method Syncdreamer~liu2023syncdreamer, we reduce the Chamfer Distance error by about 36\% and improve PSNR by about 30\% .

  • 8 authors
·
Jan 28, 2024

CodexGraph: Bridging Large Language Models and Code Repositories via Code Graph Databases

Large Language Models (LLMs) excel in stand-alone code tasks like HumanEval and MBPP, but struggle with handling entire code repositories. This challenge has prompted research on enhancing LLM-codebase interaction at a repository scale. Current solutions rely on similarity-based retrieval or manual tools and APIs, each with notable drawbacks. Similarity-based retrieval often has low recall in complex tasks, while manual tools and APIs are typically task-specific and require expert knowledge, reducing their generalizability across diverse code tasks and real-world applications. To mitigate these limitations, we introduce \framework, a system that integrates LLM agents with graph database interfaces extracted from code repositories. By leveraging the structural properties of graph databases and the flexibility of the graph query language, \framework enables the LLM agent to construct and execute queries, allowing for precise, code structure-aware context retrieval and code navigation. We assess \framework using three benchmarks: CrossCodeEval, SWE-bench, and EvoCodeBench. Additionally, we develop five real-world coding applications. With a unified graph database schema, \framework demonstrates competitive performance and potential in both academic and real-world environments, showcasing its versatility and efficacy in software engineering. Our application demo: https://github.com/modelscope/modelscope-agent/tree/master/apps/codexgraph_agent.

  • 8 authors
·
Aug 7, 2024 2

Pandora3D: A Comprehensive Framework for High-Quality 3D Shape and Texture Generation

This report presents a comprehensive framework for generating high-quality 3D shapes and textures from diverse input prompts, including single images, multi-view images, and text descriptions. The framework consists of 3D shape generation and texture generation. (1). The 3D shape generation pipeline employs a Variational Autoencoder (VAE) to encode implicit 3D geometries into a latent space and a diffusion network to generate latents conditioned on input prompts, with modifications to enhance model capacity. An alternative Artist-Created Mesh (AM) generation approach is also explored, yielding promising results for simpler geometries. (2). Texture generation involves a multi-stage process starting with frontal images generation followed by multi-view images generation, RGB-to-PBR texture conversion, and high-resolution multi-view texture refinement. A consistency scheduler is plugged into every stage, to enforce pixel-wise consistency among multi-view textures during inference, ensuring seamless integration. The pipeline demonstrates effective handling of diverse input formats, leveraging advanced neural architectures and novel methodologies to produce high-quality 3D content. This report details the system architecture, experimental results, and potential future directions to improve and expand the framework. The source code and pretrained weights are released at: https://github.com/Tencent/Tencent-XR-3DGen.

Reliable and Efficient In-Memory Fault Tolerance of Large Language Model Pretraining

Extensive system scales (i.e. thousands of GPU/TPUs) and prolonged training periods (i.e. months of pretraining) significantly escalate the probability of failures when training large language models (LLMs). Thus, efficient and reliable fault-tolerance methods are in urgent need. Checkpointing is the primary fault-tolerance method to periodically save parameter snapshots from GPU memory to disks via CPU memory. In this paper, we identify the frequency of existing checkpoint-based fault-tolerance being significantly limited by the storage I/O overheads, which results in hefty re-training costs on restarting from the nearest checkpoint. In response to this gap, we introduce an in-memory fault-tolerance framework for large-scale LLM pretraining. The framework boosts the efficiency and reliability of fault tolerance from three aspects: (1) Reduced Data Transfer and I/O: By asynchronously caching parameters, i.e., sharded model parameters, optimizer states, and RNG states, to CPU volatile memory, Our framework significantly reduces communication costs and bypasses checkpoint I/O. (2) Enhanced System Reliability: Our framework enhances parameter protection with a two-layer hierarchy: snapshot management processes (SMPs) safeguard against software failures, together with Erasure Coding (EC) protecting against node failures. This double-layered protection greatly improves the survival probability of the parameters compared to existing checkpointing methods. (3) Improved Snapshotting Frequency: Our framework achieves more frequent snapshotting compared with asynchronous checkpointing optimizations under the same saving time budget, which improves the fault tolerance efficiency. Empirical results demonstrate that Our framework minimizes the overhead of fault tolerance of LLM pretraining by effectively leveraging redundant CPU resources.

  • 10 authors
·
Oct 19, 2023

SciGLM: Training Scientific Language Models with Self-Reflective Instruction Annotation and Tuning

sec:abstract Large Language Models (LLMs) have shown promise in assisting scientific discovery. However, such applications are currently limited by LLMs' deficiencies in understanding intricate scientific concepts, deriving symbolic equations, and solving advanced numerical calculations. To bridge these gaps, we introduce SciGLM, a suite of scientific language models able to conduct college-level scientific reasoning. Central to our approach is a novel self-reflective instruction annotation framework to address the data scarcity challenge in the science domain. This framework leverages existing LLMs to generate step-by-step reasoning for unlabelled scientific questions, followed by a process of self-reflective critic-and-revise. Applying this framework, we curated SciInstruct, a diverse and high-quality dataset encompassing mathematics, physics, chemistry, and formal proofs. We fine-tuned the ChatGLM family of language models with SciInstruct, enhancing their capabilities in scientific and mathematical reasoning. Remarkably, SciGLM consistently improves both the base model (ChatGLM3-6B-Base) and larger-scale models (12B and 32B), without sacrificing the language understanding capabilities of the base model. This makes SciGLM a suitable foundational model to facilitate diverse scientific discovery tasks. For the benefit of the wider research community, we release SciInstruct, SciGLM, alongside a self-reflective framework and fine-tuning code at https://github.com/THUDM/SciGLM.

  • 9 authors
·
Jan 15, 2024

Robust Weight Signatures: Gaining Robustness as Easy as Patching Weights?

Given a robust model trained to be resilient to one or multiple types of distribution shifts (e.g., natural image corruptions), how is that "robustness" encoded in the model weights, and how easily can it be disentangled and/or "zero-shot" transferred to some other models? This paper empirically suggests a surprisingly simple answer: linearly - by straightforward model weight arithmetic! We start by drawing several key observations: (1)assuming that we train the same model architecture on both a clean dataset and its corrupted version, resultant weights mostly differ in shallow layers; (2)the weight difference after projection, which we call "Robust Weight Signature" (RWS), appears to be discriminative and indicative of different corruption types; (3)for the same corruption type, the RWSs obtained by one model architecture are highly consistent and transferable across different datasets. We propose a minimalistic model robustness "patching" framework that carries a model trained on clean data together with its pre-extracted RWSs. In this way, injecting certain robustness to the model is reduced to directly adding the corresponding RWS to its weight. We verify our proposed framework to be remarkably (1)lightweight. since RWSs concentrate on the shallowest few layers and we further show they can be painlessly quantized, storing an RWS is up to 13 x more compact than storing the full weight copy; (2)in-situ adjustable. RWSs can be appended as needed and later taken off to restore the intact clean model. We further demonstrate one can linearly re-scale the RWS to control the patched robustness strength; (3)composable. Multiple RWSs can be added simultaneously to patch more comprehensive robustness at once; and (4)transferable. Even when the clean model backbone is continually adapted or updated, RWSs remain as effective patches due to their outstanding cross-dataset transferability.

  • 3 authors
·
Feb 24, 2023

An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage

Scalable and cost-effective solutions to renewable energy storage are essential to addressing the world's rising energy needs while reducing climate change. As we increase our reliance on renewable energy sources such as wind and solar, which produce intermittent power, storage is needed to transfer power from times of peak generation to peak demand. This may require the storage of power for hours, days, or months. One solution that offers the potential of scaling to nation-sized grids is the conversion of renewable energy to other fuels, such as hydrogen or methane. To be widely adopted, this process requires cost-effective solutions to running electrochemical reactions. An open challenge is finding low-cost electrocatalysts to drive these reactions at high rates. Through the use of quantum mechanical simulations (density functional theory), new catalyst structures can be tested and evaluated. Unfortunately, the high computational cost of these simulations limits the number of structures that may be tested. The use of machine learning may provide a method to efficiently approximate these calculations, leading to new approaches in finding effective electrocatalysts. In this paper, we provide an introduction to the challenges in finding suitable electrocatalysts, how machine learning may be applied to the problem, and the use of the Open Catalyst Project OC20 dataset for model training.

  • 17 authors
·
Oct 14, 2020

Generative Discovery of Novel Chemical Designs using Diffusion Modeling and Transformer Deep Neural Networks with Application to Deep Eutectic Solvents

We report a series of deep learning models to solve complex forward and inverse design problems in molecular modeling and design. Using both diffusion models inspired by nonequilibrium thermodynamics and attention-based transformer architectures, we demonstrate a flexible framework to capture complex chemical structures. First trained on the QM9 dataset and a series of quantum mechanical properties (e.g. homo, lumo, free energy, heat capacity, etc.), we then generalize the model to study and design key properties of deep eutectic solvents. In addition to separate forward and inverse models, we also report an integrated fully prompt-based multi-task generative pretrained transformer model that solves multiple forward, inverse design, and prediction tasks, flexibly and within one model. We show that the multi-task generative model has the overall best performance and allows for flexible integration of multiple objectives, within one model, and for distinct chemistries, suggesting that synergies emerge during training of this large language model. Trained jointly in tasks related to the QM9 dataset and deep eutectic solvents (DESs), the model can predict various quantum mechanical properties and critical properties to achieve deep eutectic solvent behavior. Several novel combinations of DESs are proposed based on this framework.

  • 3 authors
·
Apr 24, 2023

One Model to Rig Them All: Diverse Skeleton Rigging with UniRig

The rapid evolution of 3D content creation, encompassing both AI-powered methods and traditional workflows, is driving an unprecedented demand for automated rigging solutions that can keep pace with the increasing complexity and diversity of 3D models. We introduce UniRig, a novel, unified framework for automatic skeletal rigging that leverages the power of large autoregressive models and a bone-point cross-attention mechanism to generate both high-quality skeletons and skinning weights. Unlike previous methods that struggle with complex or non-standard topologies, UniRig accurately predicts topologically valid skeleton structures thanks to a new Skeleton Tree Tokenization method that efficiently encodes hierarchical relationships within the skeleton. To train and evaluate UniRig, we present Rig-XL, a new large-scale dataset of over 14,000 rigged 3D models spanning a wide range of categories. UniRig significantly outperforms state-of-the-art academic and commercial methods, achieving a 215% improvement in rigging accuracy and a 194% improvement in motion accuracy on challenging datasets. Our method works seamlessly across diverse object categories, from detailed anime characters to complex organic and inorganic structures, demonstrating its versatility and robustness. By automating the tedious and time-consuming rigging process, UniRig has the potential to speed up animation pipelines with unprecedented ease and efficiency. Project Page: https://zjp-shadow.github.io/works/UniRig/

  • 5 authors
·
Apr 16

Anywhere: A Multi-Agent Framework for Reliable and Diverse Foreground-Conditioned Image Inpainting

Recent advancements in image inpainting, particularly through diffusion modeling, have yielded promising outcomes. However, when tested in scenarios involving the completion of images based on the foreground objects, current methods that aim to inpaint an image in an end-to-end manner encounter challenges such as "over-imagination", inconsistency between foreground and background, and limited diversity. In response, we introduce Anywhere, a pioneering multi-agent framework designed to address these issues. Anywhere utilizes a sophisticated pipeline framework comprising various agents such as Visual Language Model (VLM), Large Language Model (LLM), and image generation models. This framework consists of three principal components: the prompt generation module, the image generation module, and the outcome analyzer. The prompt generation module conducts a semantic analysis of the input foreground image, leveraging VLM to predict relevant language descriptions and LLM to recommend optimal language prompts. In the image generation module, we employ a text-guided canny-to-image generation model to create a template image based on the edge map of the foreground image and language prompts, and an image refiner to produce the outcome by blending the input foreground and the template image. The outcome analyzer employs VLM to evaluate image content rationality, aesthetic score, and foreground-background relevance, triggering prompt and image regeneration as needed. Extensive experiments demonstrate that our Anywhere framework excels in foreground-conditioned image inpainting, mitigating "over-imagination", resolving foreground-background discrepancies, and enhancing diversity. It successfully elevates foreground-conditioned image inpainting to produce more reliable and diverse results.

  • 8 authors
·
Apr 29, 2024

ResPlan: A Large-Scale Vector-Graph Dataset of 17,000 Residential Floor Plans

We introduce ResPlan, a large-scale dataset of 17,000 detailed, structurally rich, and realistic residential floor plans, created to advance spatial AI research. Each plan includes precise annotations of architectural elements (walls, doors, windows, balconies) and functional spaces (such as kitchens, bedrooms, and bathrooms). ResPlan addresses key limitations of existing datasets such as RPLAN (Wu et al., 2019) and MSD (van Engelenburg et al., 2024) by offering enhanced visual fidelity and greater structural diversity, reflecting realistic and non-idealized residential layouts. Designed as a versatile, general-purpose resource, ResPlan supports a wide range of applications including robotics, reinforcement learning, generative AI, virtual and augmented reality, simulations, and game development. Plans are provided in both geometric and graph-based formats, enabling direct integration into simulation engines and fast 3D conversion. A key contribution is an open-source pipeline for geometry cleaning, alignment, and annotation refinement. Additionally, ResPlan includes structured representations of room connectivity, supporting graph-based spatial reasoning tasks. Finally, we present comparative analyses with existing benchmarks and outline several open benchmark tasks enabled by ResPlan. Ultimately, ResPlan offers a significant advance in scale, realism, and usability, providing a robust foundation for developing and benchmarking next-generation spatial intelligence systems.

  • 2 authors
·
Aug 19

Rankify: A Comprehensive Python Toolkit for Retrieval, Re-Ranking, and Retrieval-Augmented Generation

Retrieval, re-ranking, and retrieval-augmented generation (RAG) are critical components of modern applications in information retrieval, question answering, or knowledge-based text generation. However, existing solutions are often fragmented, lacking a unified framework that easily integrates these essential processes. The absence of a standardized implementation, coupled with the complexity of retrieval and re-ranking workflows, makes it challenging for researchers to compare and evaluate different approaches in a consistent environment. While existing toolkits such as Rerankers and RankLLM provide general-purpose reranking pipelines, they often lack the flexibility required for fine-grained experimentation and benchmarking. In response to these challenges, we introduce Rankify, a powerful and modular open-source toolkit designed to unify retrieval, re-ranking, and RAG within a cohesive framework. Rankify supports a wide range of retrieval techniques, including dense and sparse retrievers, while incorporating state-of-the-art re-ranking models to enhance retrieval quality. Additionally, Rankify includes a collection of pre-retrieved datasets to facilitate benchmarking, available at Huggingface (https://huggingface.co/datasets/abdoelsayed/reranking-datasets-light). To encourage adoption and ease of integration, we provide comprehensive documentation (http://rankify.readthedocs.io/), an open-source implementation on GitHub (https://github.com/DataScienceUIBK/rankify), and a PyPI package for easy installation (https://pypi.org/project/rankify/). As a unified and lightweight framework, Rankify allows researchers and practitioners to advance retrieval and re-ranking methodologies while ensuring consistency, scalability, and ease of use.

  • 5 authors
·
Feb 4

Beyond Direct Generation: A Decomposed Approach to Well-Crafted Screenwriting with LLMs

The screenplay serves as the foundation for television production, defining narrative structure, character development, and dialogue. While Large Language Models (LLMs) show great potential in creative writing, direct end-to-end generation approaches often fail to produce well-crafted screenplays. We argue this failure stems from forcing a single model to simultaneously master two disparate capabilities: creative narrative construction and rigid format adherence. The resulting outputs may mimic superficial style but lack the deep structural integrity and storytelling substance required for professional use. To enable LLMs to generate high-quality screenplays, we introduce Dual-Stage Refinement (DSR), a decomposed framework that decouples creative narrative generation from format conversion. The first stage transforms a brief outline into rich, novel-style prose. The second stage refines this narrative into a professionally formatted screenplay. This separation enables the model to specialize in one distinct capability at each stage. A key challenge in implementing DSR is the scarcity of paired outline-to-novel training data. We address this through hybrid data synthesis: reverse synthesis deconstructs existing screenplays into structured inputs, while forward synthesis leverages these inputs to generate high-quality narrative texts as training targets. Blind evaluations by professional screenwriters show that DSR achieves a 75% win rate against strong baselines like Gemini-2.5-Pro and reaches 82.7% of human-level performance. Our work demonstrates that decomposed generation architecture with tailored data synthesis effectively specializes LLMs in complex creative domains.

  • 5 authors
·
Oct 27

Flex3D: Feed-Forward 3D Generation With Flexible Reconstruction Model And Input View Curation

Generating high-quality 3D content from text, single images, or sparse view images remains a challenging task with broad applications.Existing methods typically employ multi-view diffusion models to synthesize multi-view images, followed by a feed-forward process for 3D reconstruction. However, these approaches are often constrained by a small and fixed number of input views, limiting their ability to capture diverse viewpoints and, even worse, leading to suboptimal generation results if the synthesized views are of poor quality. To address these limitations, we propose Flex3D, a novel two-stage framework capable of leveraging an arbitrary number of high-quality input views. The first stage consists of a candidate view generation and curation pipeline. We employ a fine-tuned multi-view image diffusion model and a video diffusion model to generate a pool of candidate views, enabling a rich representation of the target 3D object. Subsequently, a view selection pipeline filters these views based on quality and consistency, ensuring that only the high-quality and reliable views are used for reconstruction. In the second stage, the curated views are fed into a Flexible Reconstruction Model (FlexRM), built upon a transformer architecture that can effectively process an arbitrary number of inputs. FlemRM directly outputs 3D Gaussian points leveraging a tri-plane representation, enabling efficient and detailed 3D generation. Through extensive exploration of design and training strategies, we optimize FlexRM to achieve superior performance in both reconstruction and generation tasks. Our results demonstrate that Flex3D achieves state-of-the-art performance, with a user study winning rate of over 92% in 3D generation tasks when compared to several of the latest feed-forward 3D generative models.

  • 5 authors
·
Oct 1, 2024 5

Chem-R: Learning to Reason as a Chemist

Although large language models (LLMs) have significant potential to advance chemical discovery, current LLMs lack core chemical knowledge, produce unreliable reasoning trajectories, and exhibit suboptimal performance across diverse chemical tasks. To address these challenges, we propose Chem-R, a generalizable Chemical Reasoning model designed to emulate the deliberative processes of chemists. Chem-R is trained through a three-phase framework that progressively builds advanced reasoning capabilities, including: 1) Chemical Foundation Training, which establishes core chemical knowledge. 2) Chemical Reasoning Protocol Distillation, incorporating structured, expert-like reasoning traces to guide systematic and reliable problem solving. 3) Multi-task Group Relative Policy Optimization that optimizes the model for balanced performance across diverse molecular- and reaction-level tasks. This structured pipeline enables Chem-R to achieve state-of-the-art performance on comprehensive benchmarks, surpassing leading large language models, including Gemini-2.5-Pro and DeepSeek-R1, by up to 46% on molecular tasks and 66% on reaction tasks. Meanwhile, Chem-R also consistently outperforms the existing chemical foundation models across both molecular and reaction level tasks. These results highlight Chem-R's robust generalization, interpretability, and potential as a foundation for next-generation AI-driven chemical discovery.

Language Models can Self-Lengthen to Generate Long Texts

Recent advancements in Large Language Models (LLMs) have significantly enhanced their ability to process long contexts, yet a notable gap remains in generating long, aligned outputs. This limitation stems from a training gap where pre-training lacks effective instructions for long-text generation, and post-training data primarily consists of short query-response pairs. Current approaches, such as instruction backtranslation and behavior imitation, face challenges including data quality, copyright issues, and constraints on proprietary model usage. In this paper, we introduce an innovative iterative training framework called Self-Lengthen that leverages only the intrinsic knowledge and skills of LLMs without the need for auxiliary data or proprietary models. The framework consists of two roles: the Generator and the Extender. The Generator produces the initial response, which is then split and expanded by the Extender. This process results in a new, longer response, which is used to train both the Generator and the Extender iteratively. Through this process, the models are progressively trained to handle increasingly longer responses. Experiments on benchmarks and human evaluations show that Self-Lengthen outperforms existing methods in long-text generation, when applied to top open-source LLMs such as Qwen2 and LLaMA3. Our code is publicly available at https://github.com/QwenLM/Self-Lengthen.

  • 10 authors
·
Oct 31, 2024 3

A Comprehensive Survey of Self-Evolving AI Agents: A New Paradigm Bridging Foundation Models and Lifelong Agentic Systems

Recent advances in large language models have sparked growing interest in AI agents capable of solving complex, real-world tasks. However, most existing agent systems rely on manually crafted configurations that remain static after deployment, limiting their ability to adapt to dynamic and evolving environments. To this end, recent research has explored agent evolution techniques that aim to automatically enhance agent systems based on interaction data and environmental feedback. This emerging direction lays the foundation for self-evolving AI agents, which bridge the static capabilities of foundation models with the continuous adaptability required by lifelong agentic systems. In this survey, we provide a comprehensive review of existing techniques for self-evolving agentic systems. Specifically, we first introduce a unified conceptual framework that abstracts the feedback loop underlying the design of self-evolving agentic systems. The framework highlights four key components: System Inputs, Agent System, Environment, and Optimisers, serving as a foundation for understanding and comparing different strategies. Based on this framework, we systematically review a wide range of self-evolving techniques that target different components of the agent system. We also investigate domain-specific evolution strategies developed for specialised fields such as biomedicine, programming, and finance, where optimisation objectives are tightly coupled with domain constraints. In addition, we provide a dedicated discussion on the evaluation, safety, and ethical considerations for self-evolving agentic systems, which are critical to ensuring their effectiveness and reliability. This survey aims to provide researchers and practitioners with a systematic understanding of self-evolving AI agents, laying the foundation for the development of more adaptive, autonomous, and lifelong agentic systems.

  • 15 authors
·
Aug 10 2

SciAgents: Automating scientific discovery through multi-agent intelligent graph reasoning

A key challenge in artificial intelligence is the creation of systems capable of autonomously advancing scientific understanding by exploring novel domains, identifying complex patterns, and uncovering previously unseen connections in vast scientific data. In this work, we present SciAgents, an approach that leverages three core concepts: (1) the use of large-scale ontological knowledge graphs to organize and interconnect diverse scientific concepts, (2) a suite of large language models (LLMs) and data retrieval tools, and (3) multi-agent systems with in-situ learning capabilities. Applied to biologically inspired materials, SciAgents reveals hidden interdisciplinary relationships that were previously considered unrelated, achieving a scale, precision, and exploratory power that surpasses traditional human-driven research methods. The framework autonomously generates and refines research hypotheses, elucidating underlying mechanisms, design principles, and unexpected material properties. By integrating these capabilities in a modular fashion, the intelligent system yields material discoveries, critique and improve existing hypotheses, retrieve up-to-date data about existing research, and highlights their strengths and limitations. Our case studies demonstrate scalable capabilities to combine generative AI, ontological representations, and multi-agent modeling, harnessing a `swarm of intelligence' similar to biological systems. This provides new avenues for materials discovery and accelerates the development of advanced materials by unlocking Nature's design principles.

  • 2 authors
·
Sep 9, 2024

VideoDirectorGPT: Consistent Multi-scene Video Generation via LLM-Guided Planning

Although recent text-to-video (T2V) generation methods have seen significant advancements, most of these works focus on producing short video clips of a single event with a single background (i.e., single-scene videos). Meanwhile, recent large language models (LLMs) have demonstrated their capability in generating layouts and programs to control downstream visual modules such as image generation models. This raises an important question: can we leverage the knowledge embedded in these LLMs for temporally consistent long video generation? In this paper, we propose VideoDirectorGPT, a novel framework for consistent multi-scene video generation that uses the knowledge of LLMs for video content planning and grounded video generation. Specifically, given a single text prompt, we first ask our video planner LLM (GPT-4) to expand it into a 'video plan', which involves generating the scene descriptions, the entities with their respective layouts, the background for each scene, and consistency groupings of the entities and backgrounds. Next, guided by this output from the video planner, our video generator, Layout2Vid, has explicit control over spatial layouts and can maintain temporal consistency of entities/backgrounds across scenes, while only trained with image-level annotations. Our experiments demonstrate that VideoDirectorGPT framework substantially improves layout and movement control in both single- and multi-scene video generation and can generate multi-scene videos with visual consistency across scenes, while achieving competitive performance with SOTAs in open-domain single-scene T2V generation. We also demonstrate that our framework can dynamically control the strength for layout guidance and can also generate videos with user-provided images. We hope our framework can inspire future work on better integrating the planning ability of LLMs into consistent long video generation.

  • 4 authors
·
Sep 26, 2023 5

LLM-Adapters: An Adapter Family for Parameter-Efficient Fine-Tuning of Large Language Models

The success of large language models (LLMs), like GPT-3 and ChatGPT, has led to the development of numerous cost-effective and accessible alternatives that are created by fine-tuning open-access LLMs with task-specific data (e.g., ChatDoctor) or instruction data (e.g., Alpaca). Among the various fine-tuning methods, adapter-based parameter-efficient fine-tuning (PEFT) is undoubtedly one of the most attractive topics, as it only requires fine-tuning a few external parameters instead of the entire LLMs while achieving comparable or even better performance. To enable further research on PEFT methods of LLMs, this paper presents LLM-Adapters, an easy-to-use framework that integrates various adapters into LLMs and can execute these adapter-based PEFT methods of LLMs for different tasks. The framework includes state-of-the-art open-access LLMs such as LLaMA, BLOOM, OPT, and GPT-J, as well as widely used adapters such as Series adapter, Parallel adapter, and LoRA. The framework is designed to be research-friendly, efficient, modular, and extendable, allowing the integration of new adapters and the evaluation of them with new and larger-scale LLMs. Furthermore, to evaluate the effectiveness of adapters in LLMs-Adapters, we conduct experiments on six math reasoning datasets. The results demonstrate that using adapter-based PEFT in smaller-scale LLMs (7B) with few extra trainable parameters yields comparable, and in some cases superior, performance to that of powerful LLMs (175B) in zero-shot inference on simple math reasoning datasets. Overall, we provide a promising framework for fine-tuning large LLMs on downstream tasks. We believe the proposed LLMs-Adapters will advance adapter-based PEFT research, facilitate the deployment of research pipelines, and enable practical applications to real-world systems.

  • 9 authors
·
Apr 4, 2023