Daily Papers

Recent advances in GUI agents have achieved remarkable grounding and action-prediction performance, yet existing models struggle with unreliable reward signals and limited online trajectory generation. In this paper, we introduce Orcust, a framework that integrates Principle-Constrained Reward Modeling (PCRM) and Online VM-Grounded Trajectory Construction (OVTC) to enhance reasoning reliability and data efficiency in interactive GUI tasks. We leverages environment-verifiable and LLM-derived principle to enforce interpretable reward signals that constrain long chain-of-thought reasoning and rule-based feedback. OVTC spins up instrumented virtual machines to autonomously collect structured GUI interaction trajectories with explicit procedural and structural objectives, enabling the training of a stepwise reward model that robustly captures human preferences and adheres to task-specific constraints. Extensive experiments on standard GUI benchmarks covering perceptual grounding, foundational operations, and end-to-end task execution reveal that Orcust achieves state-of-the-art performance, improving by 22.2\% on ScreenSpot and 23.9\% on ScreenSpot-Pro over the base model (i.e. Qwen2.5-VL-7B). The results demonstrate Orcust's effectiveness in enhancing the reasoning, adaptability and scalability of GUI agents across various environments and task complexities.

In this paper, we propose SPBERT, a transformer-based language model pre-trained on massive SPARQL query logs. By incorporating masked language modeling objectives and the word structural objective, SPBERT can learn general-purpose representations in both natural language and SPARQL query language. We investigate how SPBERT and encoder-decoder architecture can be adapted for Knowledge-based QA corpora. We conduct exhaustive experiments on two additional tasks, including SPARQL Query Construction and Answer Verbalization Generation. The experimental results show that SPBERT can obtain promising results, achieving state-of-the-art BLEU scores on several of these tasks.

This thesis focuses on improving the pre-training of natural language models using unsupervised raw data to make them more efficient and aligned with downstream applications. In the first part, we introduce three alternative pre-training objectives to BERT's Masked Language Modeling (MLM), namely Random Token Substitution (RTS), Cluster-based Random Token Substitution (C-RTS), and Swapped Language Modeling (SLM). These objectives involve token swapping instead of masking, with RTS and C-RTS aiming to predict token originality and SLM predicting the original token values. Results show that RTS and C-RTS require less pre-training time while maintaining performance comparable to MLM. Surprisingly, SLM outperforms MLM on certain tasks despite using the same computational budget. In the second part, we proposes self-supervised pre-training tasks that align structurally with downstream applications, reducing the need for labeled data. We use large corpora like Wikipedia and CC-News to train models to recognize if text spans originate from the same paragraph or document in several ways. By doing continuous pre-training, starting from existing models like RoBERTa, ELECTRA, DeBERTa, BART, and T5, we demonstrate significant performance improvements in tasks like Fact Verification, Answer Sentence Selection, and Summarization. These improvements are especially pronounced when limited annotation data is available. The proposed objectives also achieve state-of-the-art results on various benchmark datasets, including FEVER (dev set), ASNQ, WikiQA, and TREC-QA, as well as enhancing the quality of summaries. Importantly, these techniques can be easily integrated with other methods without altering the internal structure of Transformer models, making them versatile for various NLP applications.

Designing de novo proteins beyond those found in nature holds significant promise for advancements in both scientific and engineering applications. Current methodologies for protein design often rely on AI-based models, such as surrogate models that address end-to-end problems by linking protein structure to material properties or vice versa. However, these models frequently focus on specific material objectives or structural properties, limiting their flexibility when incorporating out-of-domain knowledge into the design process or comprehensive data analysis is required. In this study, we introduce ProtAgents, a platform for de novo protein design based on Large Language Models (LLMs), where multiple AI agents with distinct capabilities collaboratively address complex tasks within a dynamic environment. The versatility in agent development allows for expertise in diverse domains, including knowledge retrieval, protein structure analysis, physics-based simulations, and results analysis. The dynamic collaboration between agents, empowered by LLMs, provides a versatile approach to tackling protein design and analysis problems, as demonstrated through diverse examples in this study. The problems of interest encompass designing new proteins, analyzing protein structures and obtaining new first-principles data -- natural vibrational frequencies -- via physics simulations. The concerted effort of the system allows for powerful automated and synergistic design of de novo proteins with targeted mechanical properties. The flexibility in designing the agents, on one hand, and their capacity in autonomous collaboration through the dynamic LLM-based multi-agent environment on the other hand, unleashes great potentials of LLMs in addressing multi-objective materials problems and opens up new avenues for autonomous materials discovery and design.

Neural models are usually adapted through changes in parameters shared among model components via fine-tuning, alignment-based training, and reinforcement learning. These changes have been found effective in short-term optimization. However, they result in long-term alterations in the model's base behavior. In this study, we introduce the concept of structural irreversibility as a characteristic of shared-parameter model adaptation. This concept refers to the intertwining of task-specific objectives with the representational identity of the model. We show that when parameters are directly mutated, the resulting model behaves divergently from the original model. This divergence cannot be reversed deterministically without an explicit parameter snapshot. We introduce reversible behavioral learning, in which model behaviors are structurally dissociated from identity parameters and can be deterministically unloaded through an explicit unload process. We also introduce the Recoverability Factor as a normalized measure of behavioral recoverability and provide additional diagnostics based on model divergence. Experiments show that reversible model adaptation achieves rollback within numerical precision, whereas shared-parameter mutation exhibits persistent post-reset divergence.

Recursive self-improvement is moving from theory to practice: modern systems can critique, revise, and evaluate their own outputs, yet iterative self-modification risks subtle alignment drift. We introduce SAHOO, a practical framework to monitor and control drift through three safeguards: (i) the Goal Drift Index (GDI), a learned multi-signal detector combining semantic, lexical, structural, and distributional measures; (ii) constraint preservation checks that enforce safety-critical invariants such as syntactic correctness and non-hallucination; and (iii) regression-risk quantification to flag improvement cycles that undo prior gains. Across 189 tasks in code generation, mathematical reasoning, and truthfulness, SAHOO produces substantial quality gains, including 18.3 percent improvement in code tasks and 16.8 percent in reasoning, while preserving constraints in two domains and maintaining low violations in truthfulness. Thresholds are calibrated on a small validation set of 18 tasks across three cycles. We further map the capability-alignment frontier, showing efficient early improvement cycles but rising alignment costs later and exposing domain-specific tensions such as fluency versus factuality. SAHOO therefore makes alignment preservation during recursive self-improvement measurable, deployable, and systematically validated at scale.

3D human pose estimation (HPE) is characterized by intricate local and global dependencies among joints. Conventional supervised losses are limited in capturing these correlations because they treat each joint independently. Previous studies have attempted to promote structural consistency through manually designed priors or rule-based constraints; however, these approaches typically require manual specification and are often non-differentiable, limiting their use as end-to-end training objectives. We propose SEAL-pose, a data-driven framework in which a learnable loss-net trains a pose-net by evaluating structural plausibility. Rather than relying on hand-crafted priors, our joint-graph-based design enables the loss-net to learn complex structural dependencies directly from data. Extensive experiments on three 3D HPE benchmarks with eight backbones show that SEAL-pose reduces per-joint errors and improves pose plausibility compared with the corresponding backbones across all settings. Beyond improving each backbone, SEAL-pose also outperforms models with explicit structural constraints, despite not enforcing any such constraints. Finally, we analyze the relationship between the loss-net and structural consistency, and evaluate SEAL-pose in cross-dataset and in-the-wild settings.

We introduce BikeBench, an engineering design benchmark for evaluating generative models on problems with multiple real-world objectives and constraints. As generative AI's reach continues to grow, evaluating its capability to understand physical laws, human guidelines, and hard constraints grows increasingly important. Engineering product design lies at the intersection of these difficult tasks, providing new challenges for AI capabilities. BikeBench evaluates AI models' capabilities to generate bicycle designs that not only resemble the dataset, but meet specific performance objectives and constraints. To do so, BikeBench quantifies a variety of human-centered and multiphysics performance characteristics, such as aerodynamics, ergonomics, structural mechanics, human-rated usability, and similarity to subjective text or image prompts. Supporting the benchmark are several datasets of simulation results, a dataset of 10,000 human-rated bicycle assessments, and a synthetically generated dataset of 1.6M designs, each with a parametric, CAD/XML, SVG, and PNG representation. BikeBench is uniquely configured to evaluate tabular generative models, large language models (LLMs), design optimization, and hybrid algorithms side-by-side. Our experiments indicate that LLMs and tabular generative models fall short of hybrid GenAI+optimization algorithms in design quality, constraint satisfaction, and similarity scores, suggesting significant room for improvement. We hope that BikeBench, a first-of-its-kind benchmark, will help catalyze progress in generative AI for constrained multi-objective engineering design problems. We provide code, data, an interactive leaderboard, and other resources at https://github.com/Lyleregenwetter/BikeBench.

Although many pretrained models exist for text or images, there have been relatively fewer attempts to train representations specifically for dialog understanding. Prior works usually relied on finetuned representations based on generic text representation models like BERT or GPT-2. But such language modeling pretraining objectives do not take the structural information of conversational text into consideration. Although generative dialog models can learn structural features too, we argue that the structure-unaware word-by-word generation is not suitable for effective conversation modeling. We empirically demonstrate that such representations do not perform consistently across various dialog understanding tasks. Hence, we propose a structure-aware Mutual Information based loss-function DMI (Discourse Mutual Information) for training dialog-representation models, that additionally captures the inherent uncertainty in response prediction. Extensive evaluation on nine diverse dialog modeling tasks shows that our proposed DMI-based models outperform strong baselines by significant margins.

In text-to-SQL task, seq-to-seq models often lead to sub-optimal performance due to limitations in their architecture. In this paper, we present a simple yet effective approach that adapts transformer-based seq-to-seq model to robust text-to-SQL generation. Instead of inducing constraint to decoder or reformat the task as slot-filling, we propose to train seq-to-seq model with Schema aware Denoising (SeaD), which consists of two denoising objectives that train model to either recover input or predict output from two novel erosion and shuffle noises. These denoising objectives acts as the auxiliary tasks for better modeling the structural data in S2S generation. In addition, we improve and propose a clause-sensitive execution guided (EG) decoding strategy to overcome the limitation of EG decoding for generative model. The experiments show that the proposed method improves the performance of seq-to-seq model in both schema linking and grammar correctness and establishes new state-of-the-art on WikiSQL benchmark. The results indicate that the capacity of vanilla seq-to-seq architecture for text-to-SQL may have been under-estimated.

We present ClidSum, a benchmark dataset for building cross-lingual summarization systems on dialogue documents. It consists of 67k+ dialogue documents from two subsets (i.e., SAMSum and MediaSum) and 112k+ annotated summaries in different target languages. Based on the proposed ClidSum, we introduce two benchmark settings for supervised and semi-supervised scenarios, respectively. We then build various baseline systems in different paradigms (pipeline and end-to-end) and conduct extensive experiments on ClidSum to provide deeper analyses. Furthermore, we propose mDialBART which extends mBART-50 (a multi-lingual BART) via further pre-training. The multiple objectives used in the further pre-training stage help the pre-trained model capture the structural characteristics as well as important content in dialogues and the transformation from source to the target language. Experimental results show the superiority of mDialBART, as an end-to-end model, outperforms strong pipeline models on ClidSum. Finally, we discuss specific challenges that current approaches faced with this task and give multiple promising directions for future research. We have released the dataset and code at https://github.com/krystalan/ClidSum.

Recent advancements in Large Language Models (LLMs) have renewed interest in automatic programming language translation. Encoder-decoder transformer models, in particular, have shown promise in translating between different programming languages. However, translating between a language and its high-performance computing (HPC) extensions remains underexplored due to challenges such as complex parallel semantics. In this paper, we introduce CodeRosetta, an encoder-decoder transformer model designed specifically for translating between programming languages and their HPC extensions. CodeRosetta is evaluated on C++ to CUDA and Fortran to C++ translation tasks. It uses a customized learning framework with tailored pretraining and training objectives to effectively capture both code semantics and parallel structural nuances, enabling bidirectional translation. Our results show that CodeRosetta outperforms state-of-the-art baselines in C++ to CUDA translation by 2.9 BLEU and 1.72 CodeBLEU points while improving compilation accuracy by 6.05%. Compared to general closed-source LLMs, our method improves C++ to CUDA translation by 22.08 BLEU and 14.39 CodeBLEU, with 2.75% higher compilation accuracy. Finally, CodeRosetta exhibits proficiency in Fortran to parallel C++ translation, marking it, to our knowledge, as the first encoder-decoder model for this complex task, improving CodeBLEU by at least 4.63 points compared to closed-source and open-code LLMs.

Materials discovery requires navigating vast chemical and structural spaces while satisfying multiple, often conflicting, objectives. We present LLM-guided Evolution for MAterials design (LLEMA), a unified framework that couples the scientific knowledge embedded in large language models with chemistry-informed evolutionary rules and memory-based refinement. At each iteration, an LLM proposes crystallographically specified candidates under explicit property constraints; a surrogate-augmented oracle estimates physicochemical properties; and a multi-objective scorer updates success/failure memories to guide subsequent generations. Evaluated on 14 realistic tasks spanning electronics, energy, coatings, optics, and aerospace, LLEMA discovers candidates that are chemically plausible, thermodynamically stable, and property-aligned, achieving higher hit-rates and stronger Pareto fronts than generative and LLM-only baselines. Ablation studies confirm the importance of rule-guided generation, memory-based refinement, and surrogate prediction. By enforcing synthesizability and multi-objective trade-offs, LLEMA delivers a principled pathway to accelerate practical materials discovery. Code: https://github.com/scientific-discovery/LLEMA

Human understanding of video dynamics is typically grounded in a structured mental representation of entities, actions, and temporal relations, rather than relying solely on immediate deductive reasoning. In contrast, existing Video-LLMs largely depend on unstructured video reasoning, where critical visual evidence is embedded in verbose textual descriptions and temporal causality is often weakly modeled. This leads to inefficient processes and fragile causal inference. To bridge this cognitive gap, we propose constructing a compact representation of salient events and their causal relationships, which we name Structured Event Facts, prior to the reasoning stage. This structured prior serves as an explicit constraint to promote concise and causally grounded reasoning, while also making intermediate evidence easier to verify. To effectively train models on such structured facts, we introduce CausalFact-60K and a four-stage training pipeline comprising facts alignment, format warm-start, thinking warm-start, and reinforcement learning-based post-training. During RL stage, we find that this framework introduces competing objectives, as structural completeness and causal fidelity must be balanced against reasoning length, making it difficult to optimize. We address this challenge by formulating the optimization as a Multi-Objective Reinforcement Learning (MORL) problem and explicitly optimizing toward the Pareto-Frontier to balance these trade-offs. As a result, we introduce Factum-4B, which yields more reliable reasoning and delivers stronger performance on challenging video understanding tasks requiring fine-grained temporal inference.

High-quality molecular representations are essential for property prediction and molecular design, yet large labeled datasets remain scarce. While self-supervised pretraining on molecular graphs has shown promise, many existing approaches either depend on hand-crafted augmentations or complex generative objectives, and often rely solely on 2D topology, leaving valuable 3D structural information underutilized. To address this gap, we introduce C-FREE (Contrast-Free Representation learning on Ego-nets), a simple framework that integrates 2D graphs with ensembles of 3D conformers. C-FREE learns molecular representations by predicting subgraph embeddings from their complementary neighborhoods in the latent space, using fixed-radius ego-nets as modeling units across different conformers. This design allows us to integrate both geometric and topological information within a hybrid Graph Neural Network (GNN)-Transformer backbone, without negatives, positional encodings, or expensive pre-processing. Pretraining on the GEOM dataset, which provides rich 3D conformational diversity, C-FREE achieves state-of-the-art results on MoleculeNet, surpassing contrastive, generative, and other multimodal self-supervised methods. Fine-tuning across datasets with diverse sizes and molecule types further demonstrates that pretraining transfers effectively to new chemical domains, highlighting the importance of 3D-informed molecular representations.

Structural optimization is a popular method for designing objects such as bridge trusses, airplane wings, and optical devices. Unfortunately, the quality of solutions depends heavily on how the problem is parameterized. In this paper, we propose using the implicit bias over functions induced by neural networks to improve the parameterization of structural optimization. Rather than directly optimizing densities on a grid, we instead optimize the parameters of a neural network which outputs those densities. This reparameterization leads to different and often better solutions. On a selection of 116 structural optimization tasks, our approach produces the best design 50% more often than the best baseline method.

System design is often taught through domain-specific solutions specific to particular domains, such as databases, operating systems, or computer architecture, each with its own methods and vocabulary. While this diversity is a strength, it can obscure cross-cutting principles that recur across domains. This paper proposes a preliminary "periodic table" of system design principles distilled from several domains in computer systems. The goal is a shared, concise vocabulary that helps students, researchers, and practitioners reason about structure and trade-offs, compare designs across domains, and communicate choices more clearly. For supporting materials and updates, please refer to the repository at: https://github.com/jarulraj/periodic-table.

Supervised fine-tuning (SFT) is the standard approach for post-training large language models (LLMs), yet it often shows limited generalization. We trace this limitation to its default training objective: negative log likelihood (NLL). While NLL is classically optimal when training from scratch, post-training operates in a different paradigm and could violate its optimality assumptions, where models already encode task-relevant priors and supervision can be long and noisy. To this end, we study a general family of probability-based objectives and characterize their effectiveness under different conditions. Through comprehensive experiments and extensive ablation studies across 7 model backbones, 14 benchmarks, and 3 domains, we uncover a critical dimension that governs objective behavior: the model-capability continuum. Near the model-strong end, prior-leaning objectives that downweight low-probability tokens (e.g., -p, -p^{10}, thresholded variants) consistently outperform NLL; toward the model-weak end, NLL dominates; in between, no single objective prevails. Our theoretical analysis further elucidates how objectives trade places across the continuum, providing a principled foundation for adapting objectives to model capability. Our code is available at https://github.com/GaotangLi/Beyond-Log-Likelihood.

LLMs have demonstrated commendable performance across diverse domains. Nevertheless, formulating high-quality prompts to assist them in their work poses a challenge for non-AI experts. Existing research in prompt engineering suggests somewhat scattered optimization principles and designs empirically dependent prompt optimizers. Unfortunately, these endeavors lack a structural design, incurring high learning costs and it is not conducive to the iterative updating of prompts, especially for non-AI experts. Inspired by structured reusable programming languages, we propose LangGPT, a structural prompt design framework. Furthermore, we introduce Minstrel, a multi-generative agent system with reflection to automate the generation of structural prompts. Experiments and the case study illustrate that structural prompts generated by Minstrel or written manually significantly enhance the performance of LLMs. Furthermore, we analyze the ease of use of structural prompts through a user survey in our online community.

Structural topology optimization (TO) is central to engineering design but remains computationally intensive due to complex physics and hard constraints. Existing deep-learning methods are limited to fixed square grids, a few hand-coded boundary conditions, and post-hoc optimization, preventing general deployment. We introduce Optimize Any Topology (OAT), a foundation-model framework that directly predicts minimum-compliance layouts for arbitrary aspect ratios, resolutions, volume fractions, loads, and fixtures. OAT combines a resolution- and shape-agnostic autoencoder with an implicit neural-field decoder and a conditional latent-diffusion model trained on OpenTO, a new corpus of 2.2 million optimized structures covering 2 million unique boundary-condition configurations. On four public benchmarks and two challenging unseen tests, OAT lowers mean compliance up to 90% relative to the best prior models and delivers sub-1 second inference on a single GPU across resolutions from 64 x 64 to 256 x 256 and aspect ratios as high as 10:1. These results establish OAT as a general, fast, and resolution-free framework for physics-aware topology optimization and provide a large-scale dataset to spur further research in generative modeling for inverse design. Code & data can be found at https://github.com/ahnobari/OptimizeAnyTopology.

Large Language Models (LLMs) have demonstrated remarkable capabilities in natural language generation and reasoning. However, their integration into automated software ecosystems is often hindered by the "Structure Gap" - the inherent tension between the probabilistic nature of token generation and the deterministic requirements of structured data formats (e.g., JSON, XML). Traditional Supervised Fine-Tuning (SFT) often fails to enforce strict syntactic constraints, leading to "hallucinated" keys or malformed structures, while constrained decoding methods impose significant inference latency. In this paper, we propose a lightweight, efficient Reinforcement Learning (RL) framework to bridge this gap. We introduce a novel Multi-dimensional Reward Function that decomposes the structured output task into a hierarchy of constraints: structural integrity, format correctness, content accuracy, and validity. Leveraging Gradient Regularized Policy Optimization (GRPO), we enable the model to internalize these constraints without the need for a separate critic network, reducing peak VRAM usage by 40% compared to PPO. We validate our approach on multiple tasks, including complex recipe generation and structured math reasoning (GSM8K-JSON). Experimental results demonstrate that our method achieves 89.7% structural accuracy and 92.1% JSON validity, significantly outperforming both zero-shot baselines (e.g., GPT-3.5) and SFT on larger models like LLaMA-3-8B. Furthermore, we provide a detailed analysis of training dynamics, revealing a distinct self-paced curriculum where the model sequentially acquires syntactic proficiency before semantic accuracy. Our model is publicly available at https://huggingface.co/Freakz3z/Qwen-JSON.

This document serves as an overview of the different mechanisms and areas of governance in the BigCode project. It aims to support transparency by providing relevant information about choices that were made during the project to the broader public, and to serve as an example of intentional governance of an open research project that future endeavors can leverage to shape their own approach. The first section, Project Structure, covers the project organization, its stated goals and values, its internal decision processes, and its funding and resources. The second section, Data and Model Governance, covers decisions relating to the questions of data subject consent, privacy, and model release.

There has been unprecedented interest in developing agents that expand the boundary of scientific discovery, primarily by optimizing quantitative objective functions specified by scientists. However, for grand challenges in science, these objectives may only be imperfect proxies. We argue that automating objective function design is a central, yet unmet need for scientific discovery agents. In this work, we introduce the Scientific Autonomous Goal-evolving Agent (SAGA) to address this challenge. SAGA employs a bi-level architecture in which an outer loop of LLM agents analyzes optimization outcomes, proposes new objectives, and converts them into computable scoring functions, while an inner loop performs solution optimization under the current objectives. This bi-level design enables systematic exploration of the space of objectives and their trade-offs, rather than treating them as fixed inputs. We demonstrate the framework through a wide range of design applications, including antibiotics, nanobodies, functional DNA sequences, inorganic materials, and chemical processes. Notably, our experimental validation identifies a structurally novel hit with promising potency and safety profiles for E. coli in the antibiotic design task, and three de novo PD-L1 binders in the nanobody design task. These results suggest that automating objective formulation can substantially improve the effectiveness of scientific discovery agents.

Human-level contact-rich manipulation relies on the distinct roles of two key modalities: vision provides spatially rich but temporally slow global context, while force sensing captures rapid, high-frequency local contact dynamics. Integrating these signals is challenging due to their fundamental frequency and informational disparities. In this work, we propose ImplicitRDP, a unified end-to-end visual-force diffusion policy that integrates visual planning and reactive force control within a single network. We introduce Structural Slow-Fast Learning, a mechanism utilizing causal attention to simultaneously process asynchronous visual and force tokens, allowing the policy to perform closed-loop adjustments at the force frequency while maintaining the temporal coherence of action chunks. Furthermore, to mitigate modality collapse where end-to-end models fail to adjust the weights across different modalities, we propose Virtual-target-based Representation Regularization. This auxiliary objective maps force feedback into the same space as the action, providing a stronger, physics-grounded learning signal than raw force prediction. Extensive experiments on contact-rich tasks demonstrate that ImplicitRDP significantly outperforms both vision-only and hierarchical baselines, achieving superior reactivity and success rates with a streamlined training pipeline. Code and videos will be publicly available at https://implicit-rdp.github.io.

Pre-trained language models (PLM), for example BERT or RoBERTa, mark the state-of-the-art for natural language understanding task when fine-tuned on labeled data. However, their large size poses challenges in deploying them for inference in real-world applications, due to significant GPU memory requirements and high inference latency. This paper explores neural architecture search (NAS) for structural pruning to find sub-parts of the fine-tuned network that optimally trade-off efficiency, for example in terms of model size or latency, and generalization performance. We also show how we can utilize more recently developed two-stage weight-sharing NAS approaches in this setting to accelerate the search process. Unlike traditional pruning methods with fixed thresholds, we propose to adopt a multi-objective approach that identifies the Pareto optimal set of sub-networks, allowing for a more flexible and automated compression process.

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.

Understanding the relationships between protein sequence, structure and function is a long-standing biological challenge with manifold implications from drug design to our understanding of evolution. Recently, protein language models have emerged as the preferred method for this challenge, thanks to their ability to harness large sequence databases. Yet, their reliance on expansive sequence data and parameter sets limits their flexibility and practicality in real-world scenarios. Concurrently, the recent surge in computationally predicted protein structures unlocks new opportunities in protein representation learning. While promising, the computational burden carried by such complex data still hinders widely-adopted practical applications. To address these limitations, we introduce a novel framework that enhances protein language models by integrating protein structural data. Drawing from recent advances in graph transformers, our approach refines the self-attention mechanisms of pretrained language transformers by integrating structural information with structure extractor modules. This refined model, termed Protein Structure Transformer (PST), is further pretrained on a small protein structure database, using the same masked language modeling objective as traditional protein language models. Empirical evaluations of PST demonstrate its superior parameter efficiency relative to protein language models, despite being pretrained on a dataset comprising only 542K structures. Notably, PST consistently outperforms the state-of-the-art foundation model for protein sequences, ESM-2, setting a new benchmark in protein function prediction. Our findings underscore the potential of integrating structural information into protein language models, paving the way for more effective and efficient protein modeling Code and pretrained models are available at https://github.com/BorgwardtLab/PST.

This article explores the adaptive relationship between Encoder Layers and Decoder Layers using the SOTA model Helsinki-NLP/opus-mt-de-en, which translates German to English. The specific method involves introducing a bias-free fully connected layer between the Encoder and Decoder, with different initializations of the layer's weights, and observing the outcomes of fine-tuning versus retraining. Four experiments were conducted in total. The results suggest that directly modifying the pre-trained model structure for fine-tuning yields suboptimal performance. However, upon observing the outcomes of the experiments with retraining, this structural adjustment shows significant potential.

We propose a new method for learning the structure of convolutional neural networks (CNNs) that is more efficient than recent state-of-the-art methods based on reinforcement learning and evolutionary algorithms. Our approach uses a sequential model-based optimization (SMBO) strategy, in which we search for structures in order of increasing complexity, while simultaneously learning a surrogate model to guide the search through structure space. Direct comparison under the same search space shows that our method is up to 5 times more efficient than the RL method of Zoph et al. (2018) in terms of number of models evaluated, and 8 times faster in terms of total compute. The structures we discover in this way achieve state of the art classification accuracies on CIFAR-10 and ImageNet.

Evaluation is the baton for the development of large language models. Current evaluations typically employ a single-item assessment paradigm for each atomic test objective, which struggles to discern whether a model genuinely possesses the required capabilities or merely memorizes/guesses the answers to specific questions. To this end, we propose a novel evaluation framework referred to as StructEval. Starting from an atomic test objective, StructEval deepens and broadens the evaluation by conducting a structured assessment across multiple cognitive levels and critical concepts, and therefore offers a comprehensive, robust and consistent evaluation for LLMs. Experiments on three widely-used benchmarks demonstrate that StructEval serves as a reliable tool for resisting the risk of data contamination and reducing the interference of potential biases, thereby providing more reliable and consistent conclusions regarding model capabilities. Our framework also sheds light on the design of future principled and trustworthy LLM evaluation protocols.

Understanding the physical structure is essential for real-world applications such as embodied agents, interactive design, and long-horizon manipulation. Yet, prevailing Vision-Language Model (VLM) evaluations still center on structure-agnostic, single-turn setups (e.g., VQA), which fail to assess agents' ability to reason about how geometry, contact, and support relations jointly constrain what actions are possible in a dynamic environment. To address this gap, we introduce the Causal Hierarchy of Actions and Interactions (CHAIN) benchmark, an interactive 3D, physics-driven testbed designed to evaluate whether models can understand, plan, and execute structured action sequences grounded in physical constraints. CHAIN shifts evaluation from passive perception to active problem solving, spanning tasks such as interlocking mechanical puzzles and 3D stacking and packing. We conduct a comprehensive study of state-of-the-art VLMs and diffusion-based models under unified interactive settings. Our results show that top-performing models still struggle to internalize physical structure and causal constraints, often failing to produce reliable long-horizon plans and cannot robustly translate perceived structure into effective actions. The project is available at https://social-ai-studio.github.io/CHAIN/.

We introduce Image2Struct, a benchmark to evaluate vision-language models (VLMs) on extracting structure from images. Our benchmark 1) captures real-world use cases, 2) is fully automatic and does not require human judgment, and 3) is based on a renewable stream of fresh data. In Image2Struct, VLMs are prompted to generate the underlying structure (e.g., LaTeX code or HTML) from an input image (e.g., webpage screenshot). The structure is then rendered to produce an output image (e.g., rendered webpage), which is compared against the input image to produce a similarity score. This round-trip evaluation allows us to quantitatively evaluate VLMs on tasks with multiple valid structures. We create a pipeline that downloads fresh data from active online communities upon execution and evaluates the VLMs without human intervention. We introduce three domains (Webpages, LaTeX, and Musical Scores) and use five image metrics (pixel similarity, cosine similarity between the Inception vectors, learned perceptual image patch similarity, structural similarity index measure, and earth mover similarity) that allow efficient and automatic comparison between pairs of images. We evaluate Image2Struct on 14 prominent VLMs and find that scores vary widely, indicating that Image2Struct can differentiate between the performances of different VLMs. Additionally, the best score varies considerably across domains (e.g., 0.402 on sheet music vs. 0.830 on LaTeX equations), indicating that Image2Struct contains tasks of varying difficulty. For transparency, we release the full results at https://crfm.stanford.edu/helm/image2struct/v1.0.1/.

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.

We formalize constraint-based structure learning of the "true" causal graph from observed data when unobserved variables are also existent. We provide conditions for a "natural" family of constraint-based structure-learning algorithms that output graphs that are Markov equivalent to the causal graph. Under the faithfulness assumption, this natural family contains all exact structure-learning algorithms. We also provide a set of assumptions, under which any natural structure-learning algorithm outputs Markov equivalent graphs to the causal graph. These assumptions can be thought of as a relaxation of faithfulness, and most of them can be directly tested from (the underlying distribution) of the data, particularly when one focuses on structural causal models. We specialize the definitions and results for structural causal models.

Graphs can be used to represent and reason about systems and a variety of metrics have been devised to quantify their global characteristics. However, little is currently known about how to construct a graph or improve an existing one given a target objective. In this work, we formulate the construction of a graph as a decision-making process in which a central agent creates topologies by trial and error and receives rewards proportional to the value of the target objective. By means of this conceptual framework, we propose an algorithm based on reinforcement learning and graph neural networks to learn graph construction and improvement strategies. Our core case study focuses on robustness to failures and attacks, a property relevant for the infrastructure and communication networks that power modern society. Experiments on synthetic and real-world graphs show that this approach can outperform existing methods while being cheaper to evaluate. It also allows generalization to out-of-sample graphs, as well as to larger out-of-distribution graphs in some cases. The approach is applicable to the optimization of other global structural properties of graphs.

Universally modeling all typical information extraction tasks (UIE) with one generative language model (GLM) has revealed great potential by the latest study, where various IE predictions are unified into a linearized hierarchical expression under a GLM. Syntactic structure information, a type of effective feature which has been extensively utilized in IE community, should also be beneficial to UIE. In this work, we propose a novel structure-aware GLM, fully unleashing the power of syntactic knowledge for UIE. A heterogeneous structure inductor is explored to unsupervisedly induce rich heterogeneous structural representations by post-training an existing GLM. In particular, a structural broadcaster is devised to compact various latent trees into explicit high-order forests, helping to guide a better generation during decoding. We finally introduce a task-oriented structure fine-tuning mechanism, further adjusting the learned structures to most coincide with the end-task's need. Over 12 IE benchmarks across 7 tasks our system shows significant improvements over the baseline UIE system. Further in-depth analyses show that our GLM learns rich task-adaptive structural bias that greatly resolves the UIE crux, the long-range dependence issue and boundary identifying. Source codes are open at https://github.com/ChocoWu/LasUIE.

Despite the power of Large Language Models (LLMs) like GPT-4, they still struggle with tasks that require generating complex, structured outputs. In this study, we assess the capability of Current LLMs in generating complex structured data and propose a structure-aware fine-tuning approach as a solution to improve this ability. To perform a comprehensive evaluation, we propose Struc-Bench, include five representative LLMs (i.e., GPT-NeoX 20B, GPT-3.5, GPT-4, and Vicuna) and evaluate them on our carefully constructed datasets spanning raw text, HTML, and LaTeX tables. Based on our analysis of current model performance, we identify specific common formatting errors and areas of potential improvement. To address complex formatting requirements, we utilize FormatCoT (Chain-of-Thought) to generate format instructions from target outputs. Our experiments show that our structure-aware fine-tuning method, when applied to LLaMA-7B, significantly improves adherence to natural language constraints, outperforming other evaluated LLMs. Based on these results, we present an ability map of model capabilities from six dimensions (i.e., coverage, formatting, reasoning, comprehension, pragmatics, and hallucination). This map highlights the weaknesses of LLMs in handling complex structured outputs and suggests promising directions for future work. Our code and models can be found at https://github.com/gersteinlab/Struc-Bench.

Identifying the intent of a citation in scientific papers (e.g., background information, use of methods, comparing results) is critical for machine reading of individual publications and automated analysis of the scientific literature. We propose structural scaffolds, a multitask model to incorporate structural information of scientific papers into citations for effective classification of citation intents. Our model achieves a new state-of-the-art on an existing ACL anthology dataset (ACL-ARC) with a 13.3% absolute increase in F1 score, without relying on external linguistic resources or hand-engineered features as done in existing methods. In addition, we introduce a new dataset of citation intents (SciCite) which is more than five times larger and covers multiple scientific domains compared with existing datasets. Our code and data are available at: https://github.com/allenai/scicite.

Web search is an essential way for humans to obtain information, but it's still a great challenge for machines to understand the contents of web pages. In this paper, we introduce the task of structural reading comprehension (SRC) on web. Given a web page and a question about it, the task is to find the answer from the web page. This task requires a system not only to understand the semantics of texts but also the structure of the web page. Moreover, we proposed WebSRC, a novel Web-based Structural Reading Comprehension dataset. WebSRC consists of 400K question-answer pairs, which are collected from 6.4K web pages. Along with the QA pairs, corresponding HTML source code, screenshots, and metadata are also provided in our dataset. Each question in WebSRC requires a certain structural understanding of a web page to answer, and the answer is either a text span on the web page or yes/no. We evaluate various baselines on our dataset to show the difficulty of our task. We also investigate the usefulness of structural information and visual features. Our dataset and baselines have been publicly available at https://x-lance.github.io/WebSRC/.

Recent works on structured text translation remain limited to the sentence level, as they struggle to effectively handle the complex document-level XML or HTML structures. To address this, we propose Format Reinforcement Learning (FormatRL), which employs Group Relative Policy Optimization on top of a supervised fine-tuning model to directly optimize novel structure-aware rewards: 1) TreeSim, which measures structural similarity between predicted and reference XML trees and 2) Node-chrF, which measures translation quality at the level of XML nodes. Additionally, we apply StrucAUC, a fine-grained metric distinguishing between minor errors and major structural failures. Experiments on the SAP software-documentation benchmark demonstrate improvements across six metrics and an analysis further shows how different reward functions contribute to improvements in both structural and translation quality.

Since long, corporations are looking for knowledge sources which can provide structured description of data and can focus on meaning and shared understanding. Structures which can facilitate open world assumptions and can be flexible enough to incorporate and recognize more than one name for an entity. A source whose major purpose is to facilitate human communication and interoperability. Clearly, databases fail to provide these features and ontologies have emerged as an alternative choice, but corporations working on same domain tend to make different ontologies. The problem occurs when they want to share their data/knowledge. Thus we need tools to merge ontologies into one. This task is termed as ontology matching. This is an emerging area and still we have to go a long way in having an ideal matcher which can produce good results. In this paper we have shown a framework to matching ontologies using graphs.

Much has been said about observability in system theory and control; however, it has been recently that observability in complex networks has seriously attracted the attention of researchers. This paper examines the state-of-the-art and discusses some issues raised due to "complexity" and "stochasticity". These unresolved issues call for a new practical methodology. For stochastic systems, a degree of observability may be defined and the observability problem is not a binary (i.e., yes-no) question anymore. Here, we propose to employ a goal-seeking system to play a supervisory role in the network. Hence, improving the degree of observability would be a valid objective for the supervisory system. Towards this goal, the supervisor dynamically optimizes the observation process by reconfiguring the sensory parts in the network. A cognitive dynamic system is suggested as a proper choice for the supervisory system. In this framework, the network itself is viewed as the environment with which the cognitive dynamic system interacts. Computer experiments confirm the potential of the proposed approach for addressing some of the issues raised in networks due to complexity and stochasticity.

The principle of detailed balance states that in equilibrium each elementary process is equilibrated by its reverse process. For many real physico-chemical complex systems (e.g. homogeneous combustion, heterogeneous catalytic oxidation, most enzyme reactions etc), detailed mechanisms include both reversible and irreversible reactions. In this case, the principle of detailed balance cannot be applied directly. We represent irreversible reactions as limits of reversible steps and obtain the principle of detailed balance for complex mechanisms with some irreversible elementary processes. We proved two consequences of the detailed balance for these mechanisms: the structural condition and the algebraic condition that form together the extended form of detailed balance. The algebraic condition is the principle of detailed balance for the reversible part. The structural condition is: the convex hull of the stoichiometric vectors of the irreversible reactions has empty intersection with the linear span of the stoichiometric vectors of the reversible reaction. Physically, this means that the irreversible reactions cannot be included in oriented pathways. The systems with the extended form of detailed balance are also the limits of the reversible systems with detailed balance when some of the equilibrium concentrations (or activities) tend to zero. Surprisingly, the structure of the limit reaction mechanism crucially depends on the relative speeds of this tendency to zero.

Background. The development of empirical studies in software engineering mainly relies on the data available on code hosting platforms, being GitHub the most representative. Nevertheless, in the last years, the emergence of Machine Learning (ML) has led to the development of platforms specifically designed for developing ML-based projects, being Hugging Face Hub (HFH) the most popular one. With over 250k repositories, and growing fast, HFH is becoming a promising ecosystem of ML artifacts and therefore a potential source of data for empirical studies. However, so far there have been no studies evaluating the potential of HFH for such studies. Objective. In this proposal for a registered report, we aim at performing an exploratory study of the current state of HFH in order to investigate its suitability to be used as a source platform for empirical studies. Method. We conduct a qualitative and quantitative analysis of HFH for empirical studies. The former will be performed by comparing the features of HFH with those of other code hosting platforms, such as GitHub and GitLab. The latter will be performed by analyzing the data available in HFH.

Motivated by the operational problems in click and collect systems, such as curbside pickup programs, we study a joint admission control and capacity allocation problem. We consider a system where arriving customers have preferred service delivery times and gauge the service quality based on the service provider's ability to complete the service as close as possible to the preferred time. Customers can be of different priority classes, and their priority may increase as they wait longer in the queue. The service provider can reject customers upon their arrival if the system is overloaded or outsource the service (alternatively work overtime) when the capacity is not enough. The service provider's goal is to find the minimum-cost admission and capacity allocation policy to dynamically decide when to serve and whom to serve. We model this problem as a Markov Decision Process. Our structural results partially characterize a set of suboptimal solutions, and we develop solution methods using these results. We also develop a problem-specific approximation method that is based on state aggregation to overcome the computational challenges. We present extensive computational results and discuss the impact of problem parameters on the optimal policy.

We propose a novel interpretation technique to explain the behavior of structured output models, which learn mappings between an input vector to a set of output variables simultaneously. Because of the complex relationship between the computational path of output variables in structured models, a feature can affect the value of output through other ones. We focus on one of the outputs as the target and try to find the most important features utilized by the structured model to decide on the target in each locality of the input space. In this paper, we assume an arbitrary structured output model is available as a black box and argue how considering the correlations between output variables can improve the explanation performance. The goal is to train a function as an interpreter for the target output variable over the input space. We introduce an energy-based training process for the interpreter function, which effectively considers the structural information incorporated into the model to be explained. The effectiveness of the proposed method is confirmed using a variety of simulated and real data sets.

Multi-task learning has the potential to improve generalization by maximizing positive transfer between tasks while reducing task interference. Fully achieving this potential is hindered by manually designed architectures that remain static throughout training. On the contrary, learning in the brain occurs through structural changes that are in tandem with changes in synaptic strength. Thus, we propose Multi-Task Structural Learning (MTSL) that simultaneously learns the multi-task architecture and its parameters. MTSL begins with an identical single-task network for each task and alternates between a task-learning phase and a structural-learning phase. In the task learning phase, each network specializes in the corresponding task. In each of the structural learning phases, starting from the earliest layer, locally similar task layers first transfer their knowledge to a newly created group layer before being removed. MTSL then uses the group layer in place of the corresponding removed task layers and moves on to the next layers. Our empirical results show that MTSL achieves competitive generalization with various baselines and improves robustness to out-of-distribution data.

Deep neural networks (DNNs) have achieved remarkable success in computer vision but remain highly vulnerable to adversarial attacks. Among them, camouflage attacks manipulate an object's visible appearance to deceive detectors while remaining stealthy to humans. In this paper, we propose a new framework that formulates vehicle camouflage attacks as a conditional image-editing problem. Specifically, we explore both image-level and scene-level camouflage generation strategies, and fine-tune a ControlNet to synthesize camouflaged vehicles directly on real images. We design a unified objective that jointly enforces vehicle structural fidelity, style consistency, and adversarial effectiveness. Extensive experiments on the COCO and LINZ datasets show that our method achieves significantly stronger attack effectiveness, leading to more than 38% AP50 decrease, while better preserving vehicle structure and improving human-perceived stealthiness compared to existing approaches. Furthermore, our framework generalizes effectively to unseen black-box detectors and exhibits promising transferability to the physical world. Project page is available at https://humansensinglab.github.io/CtrlCamo

Despite deep learning's remarkable advances in style transfer across various domains, generating controllable performance-level musical style transfer for complete symbolically represented musical works remains a challenging area of research. Much of this is owed to limited datasets, especially for genres such as jazz, and the lack of unified models that can handle multiple music generation tasks. This paper presents ImprovNet, a transformer-based architecture that generates expressive and controllable musical improvisations through a self-supervised corruption-refinement training strategy. The improvisational style transfer is aimed at making meaningful modifications to one or more musical elements - melody, harmony or rhythm of the original composition with respect to the target genre. ImprovNet unifies multiple capabilities within a single model: it can perform cross-genre and intra-genre improvisations, harmonize melodies with genre-specific styles, and execute short prompt continuation and infilling tasks. The model's iterative generation framework allows users to control the degree of style transfer and structural similarity to the original composition. Objective and subjective evaluations demonstrate ImprovNet's effectiveness in generating musically coherent improvisations while maintaining structural relationships with the original pieces. The model outperforms Anticipatory Music Transformer in short continuation and infilling tasks and successfully achieves recognizable genre conversion, with 79\% of participants correctly identifying jazz-style improvisations of classical pieces. Our code and demo page can be found at https://github.com/keshavbhandari/improvnet.

While state of the art image segmentation models typically output segmentations in raster format, applications in geographic information systems often require vector polygons. To help bridge the gap between deep network output and the format used in downstream tasks, we add a frame field output to a deep segmentation model for extracting buildings from remote sensing images. We train a deep neural network that aligns a predicted frame field to ground truth contours. This additional objective improves segmentation quality by leveraging multi-task learning and provides structural information that later facilitates polygonization; we also introduce a polygonization algorithm that utilizes the frame field along with the raster segmentation. Our code is available at https://github.com/Lydorn/Polygonization-by-Frame-Field-Learning.

Recently, graph collaborative filtering methods have been proposed as an effective recommendation approach, which can capture users' preference over items by modeling the user-item interaction graphs. In order to reduce the influence of data sparsity, contrastive learning is adopted in graph collaborative filtering for enhancing the performance. However, these methods typically construct the contrastive pairs by random sampling, which neglect the neighboring relations among users (or items) and fail to fully exploit the potential of contrastive learning for recommendation. To tackle the above issue, we propose a novel contrastive learning approach, named Neighborhood-enriched Contrastive Learning, named NCL, which explicitly incorporates the potential neighbors into contrastive pairs. Specifically, we introduce the neighbors of a user (or an item) from graph structure and semantic space respectively. For the structural neighbors on the interaction graph, we develop a novel structure-contrastive objective that regards users (or items) and their structural neighbors as positive contrastive pairs. In implementation, the representations of users (or items) and neighbors correspond to the outputs of different GNN layers. Furthermore, to excavate the potential neighbor relation in semantic space, we assume that users with similar representations are within the semantic neighborhood, and incorporate these semantic neighbors into the prototype-contrastive objective. The proposed NCL can be optimized with EM algorithm and generalized to apply to graph collaborative filtering methods. Extensive experiments on five public datasets demonstrate the effectiveness of the proposed NCL, notably with 26% and 17% performance gain over a competitive graph collaborative filtering base model on the Yelp and Amazon-book datasets respectively. Our code is available at: https://github.com/RUCAIBox/NCL.

Given the ubiquity of deep neural networks, it is important that these models do not reveal information about sensitive data that they have been trained on. In model inversion attacks, a malicious user attempts to recover the private dataset used to train a supervised neural network. A successful model inversion attack should generate realistic and diverse samples that accurately describe each of the classes in the private dataset. In this work, we provide a probabilistic interpretation of model inversion attacks, and formulate a variational objective that accounts for both diversity and accuracy. In order to optimize this variational objective, we choose a variational family defined in the code space of a deep generative model, trained on a public auxiliary dataset that shares some structural similarity with the target dataset. Empirically, our method substantially improves performance in terms of target attack accuracy, sample realism, and diversity on datasets of faces and chest X-ray images.

Any optimization algorithm programming interface can be seen as a black-box function with additional free parameters. In this spirit, simulated annealing (SA) can be implemented in pseudo-code within the dimensions of a single slide with free parameters relating to the annealing schedule. Such an implementation, however, necessarily neglects much of the structure necessary to take advantage of advances in computing resources and algorithmic breakthroughs. Simulated annealing is often introduced in myriad disciplines, from discrete examples like the Traveling Salesman Problem (TSP) to molecular cluster potential energy exploration or even explorations of a protein's configurational space. Theoretical guarantees also demand a stricter structure in terms of statistical quantities, which cannot simply be left to the user. We will introduce several standard paradigms and demonstrate how these can be "lifted" into a unified framework using object-oriented programming in Python. We demonstrate how clean, interoperable, reproducible programming libraries can be used to access and rapidly iterate on variants of Simulated Annealing in a manner which can be extended to serve as a best practices blueprint or design pattern for a data-driven optimization library.

Video object removal aims to eliminate dynamic target objects and their visual effects, such as deformation, shadows, and reflections, while restoring seamless backgrounds. Recent diffusion-based video inpainting and object removal methods can remove the objects but often struggle to erase these effects and to synthesize coherent backgrounds. Beyond method limitations, progress is further hampered by the lack of a comprehensive dataset that systematically captures common object effects across varied environments for training and evaluation. To address this, we introduce VOR (Video Object Removal), a large-scale dataset that provides diverse paired videos, each consisting of one video where the target object is present with its effects and a counterpart where the object and effects are absent, with corresponding object masks. VOR contains 60K high-quality video pairs from captured and synthetic sources, covers five effects types, and spans a wide range of object categories as well as complex, dynamic multi-object scenes. Building on VOR, we propose EffectErase, an effect-aware video object removal method that treats video object insertion as the inverse auxiliary task within a reciprocal learning scheme. The model includes task-aware region guidance that focuses learning on affected areas and enables flexible task switching. Then, an insertion-removal consistency objective that encourages complementary behaviors and shared localization of effect regions and structural cues. Trained on VOR, EffectErase achieves superior performance in extensive experiments, delivering high-quality video object effect erasing across diverse scenarios.

We introduce the task of text-to-diagram generation, which focuses on creating structured visual representations directly from textual descriptions. Existing approaches in text-to-image and text-to-code generation lack the logical organization and flexibility needed to produce accurate, editable diagrams, often resulting in outputs that are either unstructured or difficult to modify. To address this gap, we introduce DiagramGenBenchmark, a comprehensive evaluation framework encompassing eight distinct diagram categories, including flowcharts, model architecture diagrams, and mind maps. Additionally, we present DiagramAgent, an innovative framework with four core modules-Plan Agent, Code Agent, Check Agent, and Diagram-to-Code Agent-designed to facilitate both the generation and refinement of complex diagrams. Our extensive experiments, which combine objective metrics with human evaluations, demonstrate that DiagramAgent significantly outperforms existing baseline models in terms of accuracy, structural coherence, and modifiability. This work not only establishes a foundational benchmark for the text-to-diagram generation task but also introduces a powerful toolset to advance research and applications in this emerging area.

Accelerating material discovery holds the potential to greatly help mitigate the climate crisis. Discovering new solid-state materials such as electrocatalysts, super-ionic conductors or photovoltaic materials can have a crucial impact, for instance, in improving the efficiency of renewable energy production and storage. In this paper, we introduce Crystal-GFN, a generative model of crystal structures that sequentially samples structural properties of crystalline materials, namely the space group, composition and lattice parameters. This domain-inspired approach enables the flexible incorporation of physical and structural hard constraints, as well as the use of any available predictive model of a desired physicochemical property as an objective function. To design stable materials, one must target the candidates with the lowest formation energy. Here, we use as objective the formation energy per atom of a crystal structure predicted by a new proxy machine learning model trained on MatBench. The results demonstrate that Crystal-GFN is able to sample highly diverse crystals with low (median -3.1 eV/atom) predicted formation energy.

Reinforcement Learning (RL) serves as a potent paradigm for enhancing reasoning capabilities in Large Language Models (LLMs), yet standard outcome-based approaches often suffer from reward sparsity and inefficient credit assignment. In this paper, we propose a novel framework designed to provide continuous reward signals, which introduces a Step-wise Marginal Information Gain (MIG) mechanism that quantifies the intrinsic value of reasoning steps against a Monotonic Historical Watermark, effectively filtering out training noise. To ensure disentangled credit distribution, we implement a Decoupled Masking Strategy, applying process-oriented rewards specifically to the chain-of-thought (CoT) and outcome-oriented rewards to the full completion. Additionally, we incorporate a Dual-Gated SFT objective to stabilize training with high-quality structural and factual signals. Extensive experiments across textual and multi-modal benchmarks (e.g., MATH, Super-CLEVR) demonstrate that our approach consistently outperforms baselines such as GRPO in both sample efficiency and final accuracy. Furthermore, our model exhibits superior out-of-distribution robustness, demonstrating promising zero-shot transfer capabilities to unseen and challenging reasoning tasks.

Reinforcement learning has become the primary paradigm for aligning large language models (LLMs) on complex reasoning tasks, with group relative policy optimization (GRPO) widely used in large-scale post-training. However, GRPO faces structural limitations in reasoning-heavy settings: sequence-level advantage normalization introduces systematic length bias, penalties for low-quality trajectories are diluted, and the scalar objective discards rich pairwise preference information embedded in within-group reward rankings. As a result, valuable supervision from costly rollouts remains underutilized. We propose AMIR-GRPO, which augments GRPO with an implicit DPO-style contrastive regularizer constructed directly from intra-group reward rankings, requiring no additional annotations. This mechanism amplifies suppression of low-reward trajectories, attenuates response-level length bias, and transforms each rollout group into a denser set of supervision constraints. Across multiple mathematical reasoning benchmarks, AMIR-GRPO consistently outperforms strong GRPO baselines, yields clearer separation between correct and incorrect reasoning chains, and delivers broader coverage gains beyond the subset of instances solved by standard GRPO.

Room layout estimation from multiple-perspective images is poorly investigated due to the complexities that emerge from multi-view geometry, which requires muti-step solutions such as camera intrinsic and extrinsic estimation, image matching, and triangulation. However, in 3D reconstruction, the advancement of recent 3D foundation models such as DUSt3R has shifted the paradigm from the traditional multi-step structure-from-motion process to an end-to-end single-step approach. To this end, we introduce Plane-DUSt3R, a novel method for multi-view room layout estimation leveraging the 3D foundation model DUSt3R. Plane-DUSt3R incorporates the DUSt3R framework and fine-tunes on a room layout dataset (Structure3D) with a modified objective to estimate structural planes. By generating uniform and parsimonious results, Plane-DUSt3R enables room layout estimation with only a single post-processing step and 2D detection results. Unlike previous methods that rely on single-perspective or panorama image, Plane-DUSt3R extends the setting to handle multiple-perspective images. Moreover, it offers a streamlined, end-to-end solution that simplifies the process and reduces error accumulation. Experimental results demonstrate that Plane-DUSt3R not only outperforms state-of-the-art methods on the synthetic dataset but also proves robust and effective on in the wild data with different image styles such as cartoon.Our code is available at: https://github.com/justacar/Plane-DUSt3R

Developing versatile quadruped robots that can smoothly perform various actions and tasks in real-world environments remains a significant challenge. This paper introduces a novel vision-language-action (VLA) model, mixture of robotic experts (MoRE), for quadruped robots that aim to introduce reinforcement learning (RL) for fine-tuning large-scale VLA models with a large amount of mixed-quality data. MoRE integrates multiple low-rank adaptation modules as distinct experts within a dense multi-modal large language model (MLLM), forming a sparse-activated mixture-of-experts model. This design enables the model to effectively adapt to a wide array of downstream tasks. Moreover, we employ a reinforcement learning-based training objective to train our model as a Q-function after deeply exploring the structural properties of our tasks. Effective learning from automatically collected mixed-quality data enhances data efficiency and model performance. Extensive experiments demonstrate that MoRE outperforms all baselines across six different skills and exhibits superior generalization capabilities in out-of-distribution scenarios. We further validate our method in real-world scenarios, confirming the practicality of our approach and laying a solid foundation for future research on multi-task learning in quadruped robots.

Graph Neural Networks (GNNs) have demonstrated superior performance on various graph learning tasks, including recommendation, where they leverage user-item collaborative filtering signals in graphs. However, theoretical formulations of their capability are scarce, despite their empirical effectiveness in state-of-the-art recommender models. Recently, research has explored the expressiveness of GNNs in general, demonstrating that message passing GNNs are at most as powerful as the Weisfeiler-Lehman test, and that GNNs combined with random node initialization are universal. Nevertheless, the concept of "expressiveness" for GNNs remains vaguely defined. Most existing works adopt the graph isomorphism test as the metric of expressiveness, but this graph-level task may not effectively assess a model's ability in recommendation, where the objective is to distinguish nodes of different closeness. In this paper, we provide a comprehensive theoretical analysis of the expressiveness of GNNs in recommendation, considering three levels of expressiveness metrics: graph isomorphism (graph-level), node automorphism (node-level), and topological closeness (link-level). We propose the topological closeness metric to evaluate GNNs' ability to capture the structural distance between nodes, which aligns closely with the objective of recommendation. To validate the effectiveness of this new metric in evaluating recommendation performance, we introduce a learning-less GNN algorithm that is optimal on the new metric and can be optimal on the node-level metric with suitable modification. We conduct extensive experiments comparing the proposed algorithm against various types of state-of-the-art GNN models to explore the explainability of the new metric in the recommendation task. For reproducibility, implementation codes are available at https://github.com/HKUDS/GTE.

Monocular normal estimation for transparent objects is critical for laboratory automation, yet it remains challenging due to complex light refraction and reflection. These optical properties often lead to catastrophic failures in conventional depth and normal sensors, hindering the deployment of embodied AI in scientific environments. We propose TransNormal, a novel framework that adapts pre-trained diffusion priors for single-step normal regression. To handle the lack of texture in transparent surfaces, TransNormal integrates dense visual semantics from DINOv3 via a cross-attention mechanism, providing strong geometric cues. Furthermore, we employ a multi-task learning objective and wavelet-based regularization to ensure the preservation of fine-grained structural details. To support this task, we introduce TransNormal-Synthetic, a physics-based dataset with high-fidelity normal maps for transparent labware. Extensive experiments demonstrate that TransNormal significantly outperforms state-of-the-art methods: on the ClearGrasp benchmark, it reduces mean error by 24.4% and improves 11.25° accuracy by 22.8%; on ClearPose, it achieves a 15.2% reduction in mean error. The code and dataset will be made publicly available at https://longxiang-ai.github.io/TransNormal.

Personalized text-to-image models allow users to generate varied styles of images (specified with a sentence) for an object (specified with a set of reference images). While remarkable results have been achieved using diffusion-based generation models, the visual structure and details of the object are often unexpectedly changed during the diffusion process. One major reason is that these diffusion-based approaches typically adopt a simple reconstruction objective during training, which can hardly enforce appropriate structural consistency between the generated and the reference images. To this end, in this paper, we design a novel reinforcement learning framework by utilizing the deterministic policy gradient method for personalized text-to-image generation, with which various objectives, differential or even non-differential, can be easily incorporated to supervise the diffusion models to improve the quality of the generated images. Experimental results on personalized text-to-image generation benchmark datasets demonstrate that our proposed approach outperforms existing state-of-the-art methods by a large margin on visual fidelity while maintaining text-alignment. Our code is available at: https://github.com/wfanyue/DPG-T2I-Personalization.

Next generation virtual assistants are envisioned to handle multimodal inputs (e.g., vision, memories of previous interactions, in addition to the user's utterances), and perform multimodal actions (e.g., displaying a route in addition to generating the system's utterance). We introduce Situated Interactive MultiModal Conversations (SIMMC) as a new direction aimed at training agents that take multimodal actions grounded in a co-evolving multimodal input context in addition to the dialog history. We provide two SIMMC datasets totalling ~13K human-human dialogs (~169K utterances) using a multimodal Wizard-of-Oz (WoZ) setup, on two shopping domains: (a) furniture (grounded in a shared virtual environment) and, (b) fashion (grounded in an evolving set of images). We also provide logs of the items appearing in each scene, and contextual NLU and coreference annotations, using a novel and unified framework of SIMMC conversational acts for both user and assistant utterances. Finally, we present several tasks within SIMMC as objective evaluation protocols, such as Structural API Prediction and Response Generation. We benchmark a collection of existing models on these SIMMC tasks as strong baselines, and demonstrate rich multimodal conversational interactions. Our data, annotations, code, and models are publicly available.

Despite rapid advancements in the capabilities of generative models, pretrained text-to-image models still struggle in capturing the semantics conveyed by complex prompts that compound multiple objects and instance-level attributes. Consequently, we are witnessing growing interests in integrating additional structural constraints, typically in the form of coarse bounding boxes, to better guide the generation process in such challenging cases. In this work, we take the idea of structural guidance a step further by making the observation that contemporary image generation models can directly provide a plausible fine-grained structural initialization. We propose a technique that couples this image-based structural guidance with LLM-based instance-level instructions, yielding output images that adhere to all parts of the text prompt, including object counts, instance-level attributes, and spatial relations between instances.

Organizations typically train large models individually. This is costly and time-consuming, particularly for large-scale foundation models. Such vertical production is known to be suboptimal. Inspired by this economic insight, we ask whether it is possible to leverage others' expertise by trading the constituent parts in models, i.e., sets of weights, as if they were market commodities. While recent advances in aligning and interpolating models suggest that doing so may be possible, a number of fundamental questions must be answered to create viable parameter markets. In this work, we address these basic questions, propose a framework containing the infrastructure necessary for market operations to take place, study strategies for exchanging parameters, and offer means for agents to monetize parameters. Excitingly, compared to agents who train siloed models from scratch, we show that it is possible to mutually gain by using the market, even in competitive settings. This suggests that the notion of parameter markets may be a useful paradigm for improving large-scale model training in the future.

We improve the efficiency of algorithms for stochastic combinatorial semi-bandits. In most interesting problems, state-of-the-art algorithms take advantage of structural properties of rewards, such as independence. However, while being optimal in terms of asymptotic regret, these algorithms are inefficient. In our paper, we first reduce their implementation to a specific submodular maximization. Then, in case of matroid constraints, we design adapted approximation routines, thereby providing the first efficient algorithms that rely on reward structure to improve regret bound. In particular, we improve the state-of-the-art efficient gap-free regret bound by a factor m/log m, where m is the maximum action size. Finally, we show how our improvement translates to more general budgeted combinatorial semi-bandits.

While LLMs are powerful embedding backbones, their application in training-free settings faces two structural challenges: causal attention restricts early tokens from accessing subsequent context, and the next-token prediction objective biases representations toward generation rather than semantic compression. To address these limitations, we propose KV-Embedding, a framework that activates the latent representation power of frozen LLMs. Our method leverages the observation that the key-value (KV) states of the final token at each layer encode a compressed view of the sequence. By re-routing these states as a prepended prefix, we enable all tokens to access sequence-level context within a single forward pass. To ensure model-agnostic applicability, we introduce an automated layer selection strategy based on intrinsic dimensionality. Evaluations on MTEB across Qwen, Mistral, and Llama backbones show that KV-Embedding outperforms existing training-free baselines by up to 10%, while maintaining robust performance on sequences up to 4,096 tokens. These results demonstrate that internal state manipulation offers an efficient alternative to input modification, and we hope this work encourages further exploration of LLM internals for representation learning.

Standard Knowledge Distillation (KD) compresses Large Language Models (LLMs) by optimizing final outputs, yet it typically treats the teacher's intermediate layer's thought process as a black box. While feature-based distillation attempts to bridge this gap, existing methods (e.g., MSE and asymmetric KL divergence) ignore the rich uncertainty profiles required for the final output. In this paper, we introduce DistillLens, a framework that symmetrically aligns the evolving thought processes of student and teacher models. By projecting intermediate hidden states into the vocabulary space via the Logit Lens, we enforce structural alignment using a symmetric divergence objective. Our analysis proves that this constraint imposes a dual-sided penalty, preventing both overconfidence and underconfidence while preserving the high-entropy information conduits essential for final deduction. Extensive experiments on GPT-2 and Llama architectures demonstrate that DistillLens consistently outperforms standard KD and feature-transfer baselines on diverse instruction-following benchmarks. The code is available at https://github.com/manishdhakal/DistillLens.

Towards intelligent image editing, object removal should eliminate both the target object and its causal visual artifacts, such as shadows and reflections. However, existing image appearance-based methods either follow strictly mask-aligned training and fail to remove these causal effects which are not explicitly masked, or adopt loosely mask-aligned strategies that lack controllability and may unintentionally over-erase other objects. We identify that these limitations stem from ignoring the causal relationship between an object's geometry presence and its visual effects. To address this limitation, we propose a geometry-aware two-stage framework that decouples object removal into (1) geometry removal and (2) appearance rendering. In the first stage, we remove the object directly from the geometry (e.g., depth) using strictly mask-aligned supervision, enabling structure-aware editing with strong geometric constraints. In the second stage, we render a photorealistic RGB image conditioned on the updated geometry, where causal visual effects are considered implicitly as a result of the modified 3D geometry. To guide learning in the geometry removal stage, we introduce a preference-driven objective based on positive and negative sample pairs, encouraging the model to remove objects as well as their causal visual artifacts while avoiding new structural insertions. Extensive experiments demonstrate that our method achieves state-of-the-art performance in removing both objects and their associated artifacts on two popular benchmarks. The code is available at https://github.com/buxiangzhiren/GeoRemover.

Sequential decision-making problems with multiple objectives arise naturally in practice and pose unique challenges for research in decision-theoretic planning and learning, which has largely focused on single-objective settings. This article surveys algorithms designed for sequential decision-making problems with multiple objectives. Though there is a growing body of literature on this subject, little of it makes explicit under what circumstances special methods are needed to solve multi-objective problems. Therefore, we identify three distinct scenarios in which converting such a problem to a single-objective one is impossible, infeasible, or undesirable. Furthermore, we propose a taxonomy that classifies multi-objective methods according to the applicable scenario, the nature of the scalarization function (which projects multi-objective values to scalar ones), and the type of policies considered. We show how these factors determine the nature of an optimal solution, which can be a single policy, a convex hull, or a Pareto front. Using this taxonomy, we survey the literature on multi-objective methods for planning and learning. Finally, we discuss key applications of such methods and outline opportunities for future work.

Protein folding models have achieved groundbreaking results typically via a combination of integrating domain knowledge into the architectural blocks and training pipelines. Nonetheless, given the success of generative models across different but related problems, it is natural to question whether these architectural designs are a necessary condition to build performant models. In this paper, we introduce SimpleFold, the first flow-matching based protein folding model that solely uses general purpose transformer blocks. Protein folding models typically employ computationally expensive modules involving triangular updates, explicit pair representations or multiple training objectives curated for this specific domain. Instead, SimpleFold employs standard transformer blocks with adaptive layers and is trained via a generative flow-matching objective with an additional structural term. We scale SimpleFold to 3B parameters and train it on approximately 9M distilled protein structures together with experimental PDB data. On standard folding benchmarks, SimpleFold-3B achieves competitive performance compared to state-of-the-art baselines, in addition SimpleFold demonstrates strong performance in ensemble prediction which is typically difficult for models trained via deterministic reconstruction objectives. Due to its general-purpose architecture, SimpleFold shows efficiency in deployment and inference on consumer-level hardware. SimpleFold challenges the reliance on complex domain-specific architectures designs in protein folding, opening up an alternative design space for future progress.

Predicting drug efficacy and safety in vivo requires information on biological responses (e.g., cell morphology and gene expression) to small molecule perturbations. However, current molecular representation learning methods do not provide a comprehensive view of cell states under these perturbations and struggle to remove noise, hindering model generalization. We introduce the Information Alignment (InfoAlign) approach to learn molecular representations through the information bottleneck method in cells. We integrate molecules and cellular response data as nodes into a context graph, connecting them with weighted edges based on chemical, biological, and computational criteria. For each molecule in a training batch, InfoAlign optimizes the encoder's latent representation with a minimality objective to discard redundant structural information. A sufficiency objective decodes the representation to align with different feature spaces from the molecule's neighborhood in the context graph. We demonstrate that the proposed sufficiency objective for alignment is tighter than existing encoder-based contrastive methods. Empirically, we validate representations from InfoAlign in two downstream tasks: molecular property prediction against up to 19 baseline methods across four datasets, plus zero-shot molecule-morphology matching.

In large-scale AI training, Sparse Mixture-of-Experts (s-MoE) layers enable scaling by activating only a small subset of experts per token. An operational challenge in this design is load balancing: routing tokens to minimize the number of idle experts, which is important for the efficient utilization of (costly) GPUs. We provide a theoretical framework for analyzing the Auxiliary-Loss-Free Load Balancing (ALF-LB) procedure -- proposed by DeepSeek's Wang et al. (2024) -- by casting it as a one-step-per-iteration primal-dual method for an assignment problem. First, in a stylized deterministic setting, our framework yields several insightful structural properties: (i) a monotonic improvement of a Lagrangian objective, (ii) a preference rule that moves tokens from overloaded to underloaded experts, and (iii) an approximate-balancing guarantee. Then, we incorporate the stochastic and dynamic nature of AI training using a generalized online optimization formulation. In the online setting, we derive a strong convexity property of the objective that leads to a logarithmic expected regret bound under certain step-size choices. Additionally, we present real experiments on 1B-parameter DeepSeekMoE models to complement our theoretical findings. Together, these results build a principled framework for analyzing the Auxiliary-Loss-Free Load Balancing of s-MoE in AI models.

Obtaining large pre-trained models that can be fine-tuned to new tasks with limited annotated samples has remained an open challenge for medical imaging data. While pre-trained deep networks on ImageNet and vision-language foundation models trained on web-scale data are prevailing approaches, their effectiveness on medical tasks is limited due to the significant domain shift between natural and medical images. To bridge this gap, we introduce LVM-Med, the first family of deep networks trained on large-scale medical datasets. We have collected approximately 1.3 million medical images from 55 publicly available datasets, covering a large number of organs and modalities such as CT, MRI, X-ray, and Ultrasound. We benchmark several state-of-the-art self-supervised algorithms on this dataset and propose a novel self-supervised contrastive learning algorithm using a graph-matching formulation. The proposed approach makes three contributions: (i) it integrates prior pair-wise image similarity metrics based on local and global information; (ii) it captures the structural constraints of feature embeddings through a loss function constructed via a combinatorial graph-matching objective; and (iii) it can be trained efficiently end-to-end using modern gradient-estimation techniques for black-box solvers. We thoroughly evaluate the proposed LVM-Med on 15 downstream medical tasks ranging from segmentation and classification to object detection, and both for the in and out-of-distribution settings. LVM-Med empirically outperforms a number of state-of-the-art supervised, self-supervised, and foundation models. For challenging tasks such as Brain Tumor Classification or Diabetic Retinopathy Grading, LVM-Med improves previous vision-language models trained on 1 billion masks by 6-7% while using only a ResNet-50.

Universal graph pre-training has emerged as a key paradigm in graph representation learning, offering a promising way to train encoders to learn transferable representations from unlabeled graphs and to effectively generalize across a wide range of downstream tasks. However, recent explorations in universal graph pre-training primarily focus on homogeneous graphs and it remains unexplored for heterogeneous graphs, which exhibit greater structural and semantic complexity. This heterogeneity makes it highly challenging to train a universal encoder for diverse heterogeneous graphs: (i) the diverse types with dataset-specific semantics hinder the construction of a unified representation space; (ii) the number and semantics of meta-paths vary across datasets, making encoding and aggregation patterns learned from one dataset difficult to apply to others. To address these challenges, we propose a novel Meta-path-aware Universal heterogeneous Graph pre-training (MUG) approach. Specifically, for challenge (i), MUG introduces a input unification module that integrates information from multiple node and relation types within each heterogeneous graph into a unified representation.This representation is then projected into a shared space by a dimension-aware encoder, enabling alignment across graphs with diverse schemas.Furthermore, for challenge (ii), MUG trains a shared encoder to capture consistent structural patterns across diverse meta-path views rather than relying on dataset-specific aggregation strategies, while a global objective encourages discriminability and reduces dataset-specific biases. Extensive experiments demonstrate the effectiveness of MUG on some real datasets.

This manuscript portrays optimization as a process. In many practical applications the environment is so complex that it is infeasible to lay out a comprehensive theoretical model and use classical algorithmic theory and mathematical optimization. It is necessary as well as beneficial to take a robust approach, by applying an optimization method that learns as one goes along, learning from experience as more aspects of the problem are observed. This view of optimization as a process has become prominent in varied fields and has led to some spectacular success in modeling and systems that are now part of our daily lives.

What fundamental properties of reward functions enable efficient sparse-reward reinforcement learning? We address this question through the lens of low-rank structure in reward matrices, showing that such structure induces a sharp transition from exponential to polynomial sample complexity, the first result of this kind for sparse-reward RL. We introduce Policy-Aware Matrix Completion (PAMC), which connects matrix completion theory with reinforcement learning via a new analysis of policy-dependent sampling. Our framework provides: (i) impossibility results for general sparse reward observation, (ii) reward-free representation learning from dynamics, (iii) distribution-free confidence sets via conformal prediction, and (iv) robust completion guarantees that degrade gracefully when low-rank structure is only approximate. Empirically, we conduct a pre-registered evaluation across 100 systematically sampled domains, finding exploitable structure in over half. PAMC improves sample efficiency by factors between 1.6 and 2.1 compared to strong exploration, structured, and representation-learning baselines, while adding only about 20 percent computational overhead.These results establish structural reward learning as a promising new paradigm, with immediate implications for robotics, healthcare, and other safety-critical, sample-expensive applications.

Large language model (LLM)-based systems are becoming increasingly popular for solving tasks by constructing executable workflows that interleave LLM calls, information retrieval, tool use, code execution, memory updates, and verification. This survey reviews recent methods for designing and optimizing such workflows, which we treat as agentic computation graphs (ACGs). We organize the literature based on when workflow structure is determined, where structure refers to which components or agents are present, how they depend on each other, and how information flows between them. This lens distinguishes static methods, which fix a reusable workflow scaffold before deployment, from dynamic methods, which select, generate, or revise the workflow for a particular run before or during execution. We further organize prior work along three dimensions: when structure is determined, what part of the workflow is optimized, and which evaluation signals guide optimization (e.g., task metrics, verifier signals, preferences, or trace-derived feedback). We also distinguish reusable workflow templates, run-specific realized graphs, and execution traces, separating reusable design choices from the structures actually deployed in a given run and from realized runtime behavior. Finally, we outline a structure-aware evaluation perspective that complements downstream task metrics with graph-level properties, execution cost, robustness, and structural variation across inputs. Our goal is to provide a clear vocabulary, a unified framework for positioning new methods, a more comparable view of existing body of literature, and a more reproducible evaluation standard for future work in workflow optimizations for LLM agents.

Scientific surveys require not only summarizing large bodies of literature, but also organizing them into clear and coherent conceptual structures. Existing automatic survey generation methods typically focus on linear text generation and struggle to explicitly model hierarchical relations among research topics and structured methodological comparisons, resulting in gaps in structural organization compared to expert-written surveys. We propose MVSS, a multi-view structured survey generation framework that jointly generates and aligns citation-grounded hierarchical trees, structured comparison tables, and survey text. MVSS follows a structure-first paradigm: it first constructs a conceptual tree of the research domain, then generates comparison tables constrained by the tree, and finally uses both as structural constraints for text generation. This enables complementary multi-view representations across structure, comparison, and narrative. We introduce an evaluation framework assessing structural quality, comparative completeness, and citation fidelity. Experiments on 76 computer science topics show MVSS outperforms existing methods in organization and evidence grounding, achieving performance comparable to expert surveys.

The goal of this article is to provide an introduction to the desirability function approach to multi-objective optimization (direct and surrogate model-based), and multi-objective hyperparameter tuning. This work is based on the paper by Kuhn (2016). It presents a `Python` implementation of Kuhn's `R` package `desirability`. The `Python` package `spotdesirability` is available as part of the `sequential parameter optimization` framework. After a brief introduction to the desirability function approach is presented, three examples are given that demonstrate how to use the desirability functions for classical optimization, surrogate-model based optimization, and hyperparameter tuning.

Human hands possess the dexterity to interact with diverse objects such as grasping specific parts of the objects and/or approaching them from desired directions. More importantly, humans can grasp objects of any shape without object-specific skills. Recent works synthesize grasping motions following single objectives such as a desired approach heading direction or a grasping area. Moreover, they usually rely on expensive 3D hand-object data during training and inference, which limits their capability to synthesize grasping motions for unseen objects at scale. In this paper, we unify the generation of hand-object grasping motions across multiple motion objectives, diverse object shapes and dexterous hand morphologies in a policy learning framework GraspXL. The objectives are composed of the graspable area, heading direction during approach, wrist rotation, and hand position. Without requiring any 3D hand-object interaction data, our policy trained with 58 objects can robustly synthesize diverse grasping motions for more than 500k unseen objects with a success rate of 82.2%. At the same time, the policy adheres to objectives, which enables the generation of diverse grasps per object. Moreover, we show that our framework can be deployed to different dexterous hands and work with reconstructed or generated objects. We quantitatively and qualitatively evaluate our method to show the efficacy of our approach. Our model, code, and the large-scale generated motions are available at https://eth-ait.github.io/graspxl/.

We apply preference learning to the task of language model-guided design of novel structural alloys. In contrast to prior work that focuses on generating stable inorganic crystals, our approach targets the synthesizeability of a specific structural class: BCC/B2 superalloys, an underexplored family of materials with potential applications in extreme environments. Using three open-weight models (LLaMA-3.1, Gemma-2, and OLMo-2), we demonstrate that language models can be optimized for multiple design objectives using a single, unified reward signal through Direct Preference Optimization (DPO). Unlike prior approaches that rely on heuristic or human-in-the-loop feedback (costly), our reward signal is derived from thermodynamic phase calculations, offering a scientifically grounded criterion for model tuning. To our knowledge, this is the first demonstration of preference-tuning a language model using physics-grounded feedback for structural alloy design. The resulting framework is general and extensible, providing a path forward for intelligent design-space exploration across a range of physical science domains.

This paper presents a pioneering methodology, termed StructTuning, to efficiently transform foundation Large Language Models (LLMs) into domain specialists. It significantly minimizes the training corpus requirement to a mere 0.3% while achieving an impressive 50% of traditional knowledge injection performance. Our method is inspired by the educational processes for human students, particularly how structured domain knowledge from textbooks is absorbed and then applied to tackle real-world challenges through specific exercises. Based on this, we propose a novel two-stage knowledge injection strategy: Structure-aware Continual Pre-Training (SCPT) and Structure-aware Supervised Fine-Tuning (SSFT). In the SCPT phase, we organize the training data into an auto-generated taxonomy of domain knowledge, enabling LLMs to effectively memorize textual segments linked to specific expertise within the taxonomy's architecture. Subsequently, in the SSFT phase, we explicitly prompt models to reveal the underlying knowledge structure in their outputs, leveraging this structured domain insight to address practical problems adeptly. Our ultimate method has undergone extensive evaluations across model architectures and scales, using closed-book question-answering tasks on LongBench and MMedBench datasets. Remarkably, our method matches 50% of the improvement displayed by the state-of-the-art MMedLM2 on MMedBench, but with only 0.3% quantity of the training corpus. This breakthrough showcases the potential to scale up our StructTuning for stronger domain-specific LLMs. Code will be made public soon.

Generative models such as denoising diffusion models are quickly advancing their ability to approximate highly complex data distributions. They are also increasingly leveraged in scientific machine learning, where samples from the implied data distribution are expected to adhere to specific governing equations. We present a framework that unifies generative modeling and partial differential equation fulfillment by introducing a first-principle-based loss term that enforces generated samples to fulfill the underlying physical constraints. Our approach reduces the residual error by up to two orders of magnitude compared to previous work in a fluid flow case study and outperforms task-specific frameworks in relevant metrics for structural topology optimization. We also present numerical evidence that our extended training objective acts as a natural regularization mechanism against overfitting. Our framework is simple to implement and versatile in its applicability for imposing equality and inequality constraints as well as auxiliary optimization objectives.

In this book chapter, we briefly describe the main components that constitute the gradient descent method and its accelerated and stochastic variants. We aim at explaining these components from a mathematical point of view, including theoretical and practical aspects, but at an elementary level. We will focus on basic variants of the gradient descent method and then extend our view to recent variants, especially variance-reduced stochastic gradient schemes (SGD). Our approach relies on revealing the structures presented inside the problem and the assumptions imposed on the objective function. Our convergence analysis unifies several known results and relies on a general, but elementary recursive expression. We have illustrated this analysis on several common schemes.

Most algorithms in reinforcement learning (RL) require that the objective is formalised with a Markovian reward function. However, it is well-known that certain tasks cannot be expressed by means of an objective in the Markov rewards formalism, motivating the study of alternative objective-specification formalisms in RL such as Linear Temporal Logic and Multi-Objective Reinforcement Learning. To date, there has not yet been any thorough analysis of how these formalisms relate to each other in terms of their expressivity. We fill this gap in the existing literature by providing a comprehensive comparison of 17 salient objective-specification formalisms. We place these formalisms in a preorder based on their expressive power, and present this preorder as a Hasse diagram. We find a variety of limitations for the different formalisms, and argue that no formalism is both dominantly expressive and straightforward to optimise with current techniques. For example, we prove that each of Regularised RL, (Outer) Nonlinear Markov Rewards, Reward Machines, Linear Temporal Logic, and Limit Average Rewards can express a task that the others cannot. The significance of our results is twofold. First, we identify important expressivity limitations to consider when specifying objectives for policy optimization. Second, our results highlight the need for future research which adapts reward learning to work with a greater variety of formalisms, since many existing reward learning methods assume that the desired objective takes a Markovian form. Our work contributes towards a more cohesive understanding of the costs and benefits of different RL objective-specification formalisms.

A supervised learning algorithm searches over a set of functions A to B parametrised by a space P to find the best approximation to some ideal function fcolon A to B. It does this by taking examples (a,f(a)) in Atimes B, and updating the parameter according to some rule. We define a category where these update rules may be composed, and show that gradient descent---with respect to a fixed step size and an error function satisfying a certain property---defines a monoidal functor from a category of parametrised functions to this category of update rules. This provides a structural perspective on backpropagation, as well as a broad generalisation of neural networks.

Coopetition refers to simultaneous cooperation and competition among actors wherein actors 'cooperate to grow the pie and compete to split it up.' Modern socio-technical systems are characterized by strategic coopetition wherein actors concomitantly cooperate to create value and compete to capture it. While conceptual modeling languages such as i* provide rich qualitative representations of strategic dependencies, they lack mechanisms for quantitative analysis of dynamic trade-offs. Conversely, classical game theory offers mathematical rigor but strips away contextual richness. This report bridges this gap by developing computational foundations that formalize two critical dimensions of coopetition: interdependence and complementarity. We ground interdependence in i* structural dependency analysis, translating depender-dependee-dependum relationships into quantitative interdependence coefficients via a structured translation framework. We formalize complementarity following Brandenburger and Nalebuff's Added Value concept, modeling synergistic value creation with validated parameterization. We integrate structural dependencies with bargaining power in value appropriation and introduce a game-theoretic formulation where Nash Equilibrium incorporates structural interdependence. Validation combines over 22,000 experimental trials across power and logarithmic specifications with the Samsung-Sony S-LCD joint venture (2004-2011). Under strict historical alignment scoring, logarithmic specifications achieve 58/60 compared to power functions (46/60), producing realistic 41% cooperation increases aligning with documented S-LCD patterns while power functions produce 166% increases exceeding realistic bounds. Statistical significance confirmed at p < 0.001, Cohen's d > 9.

Large language models, sometimes referred to as foundation models, have transformed multiple fields of research. However, smaller languages risk falling behind due to high training costs and small incentives for large companies to train these models. To combat this, the Danish Foundation Models project seeks to provide and maintain open, well-documented, and high-quality foundation models for the Danish language. This is achieved through broad cooperation with public and private institutions, to ensure high data quality and applicability of the trained models. We present the motivation of the project, the current status, and future perspectives.

Structure reasoning is a fundamental capability of large language models (LLMs), enabling them to reason about structured commonsense and answer multi-hop questions. However, existing benchmarks for structure reasoning mainly focus on horizontal and coordinate structures (e.g. graphs), overlooking the hierarchical relationships within them. Hierarchical structure reasoning is crucial for human cognition, particularly in memory organization and problem-solving. It also plays a key role in various real-world tasks, such as information extraction and decision-making. To address this gap, we propose HiBench, the first framework spanning from initial structure generation to final proficiency assessment, designed to benchmark the hierarchical reasoning capabilities of LLMs systematically. HiBench encompasses six representative scenarios, covering both fundamental and practical aspects, and consists of 30 tasks with varying hierarchical complexity, totaling 39,519 queries. To evaluate LLMs comprehensively, we develop five capability dimensions that depict different facets of hierarchical structure understanding. Through extensive evaluation of 20 LLMs from 10 model families, we reveal key insights into their capabilities and limitations: 1) existing LLMs show proficiency in basic hierarchical reasoning tasks; 2) they still struggle with more complex structures and implicit hierarchical representations, especially in structural modification and textual reasoning. Based on these findings, we create a small yet well-designed instruction dataset, which enhances LLMs' performance on HiBench by an average of 88.84\% (Llama-3.1-8B) and 31.38\% (Qwen2.5-7B) across all tasks. The HiBench dataset and toolkit are available here, https://github.com/jzzzzh/HiBench, to encourage evaluation.

Large language models (LLMs) have achieved remarkable success across various domains, driving significant technological advancements and innovations. Despite the rapid growth in model scale and capability, systematic, data-driven research on how structural configurations affect performance remains scarce. To address this gap, we present a large-scale dataset encompassing diverse open-source LLM structures and their performance across multiple benchmarks. Leveraging this dataset, we conduct a systematic, data mining-driven analysis to validate and quantify the relationship between structural configurations and performance. Our study begins with a review of the historical development of LLMs and an exploration of potential future trends. We then analyze how various structural choices impact performance across benchmarks and further corroborate our findings using mechanistic interpretability techniques. By providing data-driven insights into LLM optimization, our work aims to guide the targeted development and application of future models. We will release our dataset at https://huggingface.co/datasets/DX0369/LLM-Structure-Performance-Dataset

Language models have the ability to perform in-context learning (ICL), allowing them to flexibly adapt their behavior based on context. This contrasts with in-weights learning, where information is statically encoded in model parameters from iterated observations of the data. Despite this apparent ability to learn in-context, language models are known to struggle when faced with unseen or rarely seen tokens. Hence, we study structural in-context learning, which we define as the ability of a model to execute in-context learning on arbitrary tokens -- so called because the model must generalize on the basis of e.g. sentence structure or task structure, rather than semantic content encoded in token embeddings. An ideal model would be able to do both: flexibly deploy in-weights operations (in order to robustly accommodate ambiguous or unknown contexts using encoded semantic information) and structural in-context operations (in order to accommodate novel tokens). We study structural in-context algorithms in a simple part-of-speech setting using both practical and toy models. We find that active forgetting, a technique that was recently introduced to help models generalize to new languages, forces models to adopt structural in-context learning solutions. Finally, we introduce temporary forgetting, a straightforward extension of active forgetting that enables one to control how much a model relies on in-weights vs. in-context solutions. Importantly, temporary forgetting allows us to induce a dual process strategy where in-context and in-weights solutions coexist within a single model.

Instruction-following is critical for large language models, but real-world instructions often contain logical structures such as sequential dependencies and conditional branching. Existing methods typically construct datasets with parallel constraints and optimize average rewards, ignoring logical dependencies and yielding noisy signals. We propose a logic-structured training framework LSRIF that explicitly models instruction logic. We first construct a dataset LSRInstruct with constraint structures such as parallel, sequential, and conditional types, and then design structure-aware rewarding method LSRIF including average aggregation for parallel structures, failure-penalty propagation for sequential structures, and selective rewards for conditional branches. Experiments show LSRIF brings significant improvements in instruction-following (in-domain and out-of-domain) and general reasoning. Analysis reveals that learning with explicit logic structures brings parameter updates in attention layers and sharpens token-level attention to constraints and logical operators.

The reward hypothesis posits that, "all of what we mean by goals and purposes can be well thought of as maximization of the expected value of the cumulative sum of a received scalar signal (reward)." We aim to fully settle this hypothesis. This will not conclude with a simple affirmation or refutation, but rather specify completely the implicit requirements on goals and purposes under which the hypothesis holds.

Multi-objective reinforcement learning (MORL) excels at handling rapidly changing preferences in tasks that involve multiple criteria, even for unseen preferences. However, previous dominating MORL methods typically generate a fixed policy set or preference-conditioned policy through multiple training iterations exclusively for sampled preference vectors, and cannot ensure the efficient discovery of the Pareto front. Furthermore, integrating preferences into the input of policy or value functions presents scalability challenges, in particular as the dimension of the state and preference space grow, which can complicate the learning process and hinder the algorithm's performance on more complex tasks. To address these issues, we propose a two-stage Pareto front discovery algorithm called Constrained MORL (C-MORL), which serves as a seamless bridge between constrained policy optimization and MORL. Concretely, a set of policies is trained in parallel in the initialization stage, with each optimized towards its individual preference over the multiple objectives. Then, to fill the remaining vacancies in the Pareto front, the constrained optimization steps are employed to maximize one objective while constraining the other objectives to exceed a predefined threshold. Empirically, compared to recent advancements in MORL methods, our algorithm achieves more consistent and superior performances in terms of hypervolume, expected utility, and sparsity on both discrete and continuous control tasks, especially with numerous objectives (up to nine objectives in our experiments).

Utility functions or their equivalents (value functions, objective functions, loss functions, reward functions, preference orderings) are a central tool in most current machine learning systems. These mechanisms for defining goals and guiding optimization run into practical and conceptual difficulty when there are independent, multi-dimensional objectives that need to be pursued simultaneously and cannot be reduced to each other. Ethicists have proved several impossibility theorems that stem from this origin; those results appear to show that there is no way of formally specifying what it means for an outcome to be good for a population without violating strong human ethical intuitions (in such cases, the objective function is a social welfare function). We argue that this is a practical problem for any machine learning system (such as medical decision support systems or autonomous weapons) or rigidly rule-based bureaucracy that will make high stakes decisions about human lives: such systems should not use objective functions in the strict mathematical sense. We explore the alternative of using uncertain objectives, represented for instance as partially ordered preferences, or as probability distributions over total orders. We show that previously known impossibility theorems can be transformed into uncertainty theorems in both of those settings, and prove lower bounds on how much uncertainty is implied by the impossibility results. We close by proposing two conjectures about the relationship between uncertainty in objectives and severe unintended consequences from AI systems.

This paper describes a service learning project used in an upper-level and graduate-level database systems course. Students complete a small database project for a real client. The final product must match the client specification and needs, and include the database design and the final working database system with embedded user documentation. The solution must be implemented in a way to make it as easy to use as possible for the client. Students are expected to conduct professional meetings with their clients to understand the project, analyze the project's requirements, as well as design and implement the solution to the project. Students must have each milestone approved before starting the next phase of the project. The student learning objectives of a database system semester project are to: analyze a client's information system problem and determine the requirements for the solution; design a suitable database solution to the problem; use software design and development tools to design and develop a solution to the problem; communicate and interact with a client on a professional level; prepare effective documentation for both non-technical and technical software users; and interact ethically with all persons involved with a project. The broader impact objectives of a database system semester project are to: provide needed database solutions for organizations and businesses in the local area; provide a resume and portfolio-building opportunity for the students; provide a measure for assessing how well the program meets it mission; provide a mechanism for implementing service-based learning; provide a mechanism for outreach to local-area organizations and businesses; and provide a starting-point for undergraduate research projects.

In goal-reaching reinforcement learning (RL), the optimal value function has a particular geometry, called quasimetric structure. This paper introduces Quasimetric Reinforcement Learning (QRL), a new RL method that utilizes quasimetric models to learn optimal value functions. Distinct from prior approaches, the QRL objective is specifically designed for quasimetrics, and provides strong theoretical recovery guarantees. Empirically, we conduct thorough analyses on a discretized MountainCar environment, identifying properties of QRL and its advantages over alternatives. On offline and online goal-reaching benchmarks, QRL also demonstrates improved sample efficiency and performance, across both state-based and image-based observations.

Structural pruning enables model acceleration by removing structurally-grouped parameters from neural networks. However, the parameter-grouping patterns vary widely across different models, making architecture-specific pruners, which rely on manually-designed grouping schemes, non-generalizable to new architectures. In this work, we study a highly-challenging yet barely-explored task, any structural pruning, to tackle general structural pruning of arbitrary architecture like CNNs, RNNs, GNNs and Transformers. The most prominent obstacle towards this goal lies in the structural coupling, which not only forces different layers to be pruned simultaneously, but also expects all removed parameters to be consistently unimportant, thereby avoiding structural issues and significant performance degradation after pruning. To address this problem, we propose a general and {fully automatic} method, Dependency Graph (DepGraph), to explicitly model the dependency between layers and comprehensively group coupled parameters for pruning. In this work, we extensively evaluate our method on several architectures and tasks, including ResNe(X)t, DenseNet, MobileNet and Vision transformer for images, GAT for graph, DGCNN for 3D point cloud, alongside LSTM for language, and demonstrate that, even with a simple norm-based criterion, the proposed method consistently yields gratifying performances.

To achieve the highest perceptual quality, state-of-the-art diffusion models are optimized with objectives that typically look very different from the maximum likelihood and the Evidence Lower Bound (ELBO) objectives. In this work, we reveal that diffusion model objectives are actually closely related to the ELBO. Specifically, we show that all commonly used diffusion model objectives equate to a weighted integral of ELBOs over different noise levels, where the weighting depends on the specific objective used. Under the condition of monotonic weighting, the connection is even closer: the diffusion objective then equals the ELBO, combined with simple data augmentation, namely Gaussian noise perturbation. We show that this condition holds for a number of state-of-the-art diffusion models. In experiments, we explore new monotonic weightings and demonstrate their effectiveness, achieving state-of-the-art FID scores on the high-resolution ImageNet benchmark.

Inferring causal structure poses a combinatorial search problem that typically involves evaluating structures with a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize causal structure learning. Rather than searching over structures, we train a variational inference model to directly predict the causal structure from observational or interventional data. This allows our inference model to acquire domain-specific inductive biases for causal discovery solely from data generated by a simulator, bypassing both the hand-engineering of suitable score functions and the search over graphs. The architecture of our inference model emulates permutation invariances that are crucial for statistical efficiency in structure learning, which facilitates generalization to significantly larger problem instances than seen during training. On synthetic data and semisynthetic gene expression data, our models exhibit robust generalization capabilities when subject to substantial distribution shifts and significantly outperform existing algorithms, especially in the challenging genomics domain. Our code and models are publicly available at: https://github.com/larslorch/avici.

Structural modeling is a fundamental component of computational engineering science, in which even minor physical inconsistencies or specification violations may invalidate downstream simulations. The potential of large language models (LLMs) for automatic generation of modeling code has been demonstrated. However, non-executable or physically inconsistent outputs remain prevalent under stringent engineering constraints. A framework for physics-consistent automatic building modeling is therefore proposed, integrating domain knowledge construction, constraint-oriented model alignment, and verification-driven evaluation. CivilInstruct is introduced as a domain-specific dataset that formalizes structural engineering knowledge and constraint reasoning to enable simulation-ready model generation. A two-stage fine-tuning strategy is further employed to enforce constraint satisfaction and application programming interface compliance, substantially reducing hallucinated and non-conforming outputs. MBEval is presented as a verification-driven benchmark that evaluates executability and structural dynamics consistency through closed-loop validation. Experimental results show consistent improvements over baselines across rigorous verification metrics. Our code is available at https://github.com/Jovanqing/AutoBM.

In this work, we address the task of table image to LaTeX code generation, with the goal of automating the reconstruction of high-quality, publication-ready tables from visual inputs. A central challenge of this task lies in accurately handling complex tables -- those with large sizes, deeply nested structures, and semantically rich or irregular cell content -- where existing methods often fail. We begin with a comprehensive analysis, identifying key challenges and highlighting the limitations of current evaluation protocols. To overcome these issues, we propose a reinforced multimodal large language model (MLLM) framework, where a pre-trained MLLM is fine-tuned on a large-scale table-to-LaTeX dataset. To further improve generation quality, we introduce a dual-reward reinforcement learning strategy based on Group Relative Policy Optimization (GRPO). Unlike standard approaches that optimize purely over text outputs, our method incorporates both a structure-level reward on LaTeX code and a visual fidelity reward computed from rendered outputs, enabling direct optimization of the visual output quality. We adopt a hybrid evaluation protocol combining TEDS-Structure and CW-SSIM, and show that our method achieves state-of-the-art performance, particularly on structurally complex tables, demonstrating the effectiveness and robustness of our approach.

Machine learning systems often experience a distribution shift between training and testing. In this paper, we introduce a simple variational objective whose optima are exactly the set of all representations on which risk minimizers are guaranteed to be robust to any distribution shift that preserves the Bayes predictor, e.g., covariate shifts. Our objective has two components. First, a representation must remain discriminative for the task, i.e., some predictor must be able to simultaneously minimize the source and target risk. Second, the representation's marginal support needs to be the same across source and target. We make this practical by designing self-supervised objectives that only use unlabelled data and augmentations to train robust representations. Our objectives give insights into the robustness of CLIP, and further improve CLIP's representations to achieve SOTA results on DomainBed.

Within the limited scope of this paper, we argue that artificial general intelligence cannot emerge from current neural network paradigms regardless of scale, nor is such an approach healthy for the field at present. Drawing on various notions, discussions, present-day developments and observations, current debates and critiques, experiments, and so on in between philosophy, including the Chinese Room Argument and Gödelian argument, neuroscientific ideas, computer science, the theoretical consideration of artificial intelligence, and learning theory, we address conceptually that neural networks are architecturally insufficient for genuine understanding. They operate as static function approximators of a limited encoding framework - a 'sophisticated sponge' exhibiting complex behaviours without structural richness that constitute intelligence. We critique the theoretical foundations the field relies on and created of recent times; for example, an interesting heuristic as neural scaling law (as an example, arXiv:2001.08361 ) made prominent in a wrong way of interpretation, The Universal Approximation Theorem addresses the wrong level of abstraction and, in parts, partially, the question of current architectures lacking dynamic restructuring capabilities. We propose a framework distinguishing existential facilities (computational substrate) from architectural organization (interpretive structures), and outline principles for what genuine machine intelligence would require, and furthermore, a conceptual method of structuralizing the richer framework on which the principle of neural network system takes hold.

Large language models record impressive performance on many natural language processing tasks. However, their knowledge capacity is limited to the pretraining corpus. Retrieval augmentation offers an effective solution by retrieving context from external knowledge sources to complement the language model. However, existing retrieval augmentation techniques ignore the structural relationships between these documents. Furthermore, retrieval models are not explored much in scientific tasks, especially in regard to the faithfulness of retrieved documents. In this paper, we propose a novel structure-aware retrieval augmented language model that accommodates document structure during retrieval augmentation. We create a heterogeneous document graph capturing multiple types of relationships (e.g., citation, co-authorship, etc.) that connect documents from more than 15 scientific disciplines (e.g., Physics, Medicine, Chemistry, etc.). We train a graph neural network on the curated document graph to act as a structural encoder for the corresponding passages retrieved during the model pretraining. Particularly, along with text embeddings of the retrieved passages, we obtain structural embeddings of the documents (passages) and fuse them together before feeding them to the language model. We evaluate our model extensively on various scientific benchmarks that include science question-answering and scientific document classification tasks. Experimental results demonstrate that structure-aware retrieval improves retrieving more coherent, faithful and contextually relevant passages, while showing a comparable performance in the overall accuracy.

As Large Language Models (LLMs) become integral to software development workflows, their ability to generate structured outputs has become critically important. We introduce StructEval, a comprehensive benchmark for evaluating LLMs' capabilities in producing both non-renderable (JSON, YAML, CSV) and renderable (HTML, React, SVG) structured formats. Unlike prior benchmarks, StructEval systematically evaluates structural fidelity across diverse formats through two paradigms: 1) generation tasks, producing structured output from natural language prompts, and 2) conversion tasks, translating between structured formats. Our benchmark encompasses 18 formats and 44 types of task, with novel metrics for format adherence and structural correctness. Results reveal significant performance gaps, even state-of-the-art models like o1-mini achieve only 75.58 average score, with open-source alternatives lagging approximately 10 points behind. We find generation tasks more challenging than conversion tasks, and producing correct visual content more difficult than generating text-only structures.

Many clustering schemes are defined by optimizing an objective function defined on the partitions of the underlying set of a finite metric space. In this paper, we construct a framework for studying what happens when we instead impose various structural conditions on the clustering schemes, under the general heading of functoriality. Functoriality refers to the idea that one should be able to compare the results of clustering algorithms as one varies the data set, for example by adding points or by applying functions to it. We show that within this framework, one can prove a theorems analogous to one of J. Kleinberg, in which for example one obtains an existence and uniqueness theorem instead of a non-existence result. We obtain a full classification of all clustering schemes satisfying a condition we refer to as excisiveness. The classification can be changed by varying the notion of maps of finite metric spaces. The conditions occur naturally when one considers clustering as the statistical version of the geometric notion of connected components. By varying the degree of functoriality that one requires from the schemes it is possible to construct richer families of clustering schemes that exhibit sensitivity to density.

There has been considerable recent interest in scoring properties on the basis of eviction risk. The success of methods for eviction prediction is typically evaluated using different measures of predictive accuracy. However, the underlying goal of such prediction is to direct appropriate assistance to households that may be at greater risk so they remain stably housed. Thus, we must ask the question of how useful such predictions are in targeting outreach efforts - informing action. In this paper, we investigate this question using a novel dataset that matches information on properties, evictions, and owners. We perform an eviction prediction task to produce risk scores and then use these risk scores to plan targeted outreach policies. We show that the risk scores are, in fact, useful, enabling a theoretical team of caseworkers to reach more eviction-prone properties in the same amount of time, compared to outreach policies that are either neighborhood-based or focus on buildings with a recent history of evictions. We also discuss the importance of neighborhood and ownership features in both risk prediction and targeted outreach.

We introduce a novel dataset designed to benchmark the physical and spatial reasoning capabilities of Large Language Models (LLM) based on topology optimization, a method for computing optimal material distributions within a design space under prescribed loads and supports. In this dataset, LLMs are provided with conditions such as 2D boundary, applied forces and supports, and must reason about the resulting optimal material distribution. The dataset includes a variety of tasks, ranging from filling in masked regions within partial structures to predicting complete material distributions. Solving these tasks requires understanding the flow of forces and the required material distribution under given constraints, without access to simulation tools or explicit physical models, challenging models to reason about structural stability and spatial organization. Our dataset targets the evaluation of spatial and physical reasoning abilities in 2D settings, offering a complementary perspective to traditional language and logic benchmarks.

After last year's successful BabyLM Challenge, the competition will be hosted again in 2024/2025. The overarching goals of the challenge remain the same; however, some of the competition rules will be different. The big changes for this year's competition are as follows: First, we replace the loose track with a paper track, which allows (for example) non-model-based submissions, novel cognitively-inspired benchmarks, or analysis techniques. Second, we are relaxing the rules around pretraining data, and will now allow participants to construct their own datasets provided they stay within the 100M-word or 10M-word budget. Third, we introduce a multimodal vision-and-language track, and will release a corpus of 50% text-only and 50% image-text multimodal data as a starting point for LM model training. The purpose of this CfP is to provide rules for this year's challenge, explain these rule changes and their rationale in greater detail, give a timeline of this year's competition, and provide answers to frequently asked questions from last year's challenge.

We propose STRuCT-LLM, a unified framework for training large language models (LLMs) to perform structured reasoning over both relational and graph-structured data. Our approach jointly optimizes Text-to-SQL and Text-to-Cypher tasks using reinforcement learning (RL) combined with Chain-of-Thought (CoT) supervision. To support fine-grained optimization in graph-based parsing, we introduce a topology-aware reward function based on graph edit distance. Unlike prior work that treats relational and graph formalisms in isolation, STRuCT-LLM leverages shared abstractions between SQL and Cypher to induce cross-formalism transfer, enabling SQL training to improve Cypher performance and vice versa - even without shared schemas. Our largest model (QwQ-32B) achieves substantial relative improvements across tasks: on semantic parsing, Spider improves by 13.5\% and Text2Cypher by 73.1\%. The model also demonstrates strong zero-shot generalization, improving performance on downstream tabular QA (TableBench: 8.5\%) and knowledge graph QA (CR-LT-KGQA: 1.7\%) without any QA-specific supervision. These results demonstrate both the effectiveness of executable queries as scaffolds for structured reasoning and the synergistic benefits of jointly training on SQL and Cypher (code available at https://github.com/bouv/STRuCT-LLM).

This paper presents three open-source reinforcement learning environments developed on the MuJoCo physics engine with the Franka Emika Panda arm in MuJoCo Menagerie. Three representative tasks, push, slide, and pick-and-place, are implemented through the Gymnasium Robotics API, which inherits from the core of Gymnasium. Both the sparse binary and dense rewards are supported, and the observation space contains the keys of desired and achieved goals to follow the Multi-Goal Reinforcement Learning framework. Three different off-policy algorithms are used to validate the simulation attributes to ensure the fidelity of all tasks, and benchmark results are also given. Each environment and task are defined in a clean way, and the main parameters for modifying the environment are preserved to reflect the main difference. The repository, including all environments, is available at https://github.com/zichunxx/panda_mujoco_gym.

Evaluation efforts such as TREC, CLEF, NTCIR and FIRE, alongside public leaderboard such as MS MARCO, are intended to encourage research and track our progress, addressing big questions in our field. However, the goal is not simply to identify which run is "best", achieving the top score. The goal is to move the field forward by developing new robust techniques, that work in many different settings, and are adopted in research and practice. This paper uses the MS MARCO and TREC Deep Learning Track as our case study, comparing it to the case of TREC ad hoc ranking in the 1990s. We show how the design of the evaluation effort can encourage or discourage certain outcomes, and raising questions about internal and external validity of results. We provide some analysis of certain pitfalls, and a statement of best practices for avoiding such pitfalls. We summarize the progress of the effort so far, and describe our desired end state of "robust usefulness", along with steps that might be required to get us there.

The Natural Language for Optimization (NL4Opt) Competition was created to investigate methods of extracting the meaning and formulation of an optimization problem based on its text description. Specifically, the goal of the competition is to increase the accessibility and usability of optimization solvers by allowing non-experts to interface with them using natural language. We separate this challenging goal into two sub-tasks: (1) recognize and label the semantic entities that correspond to the components of the optimization problem; (2) generate a meaning representation (i.e., a logical form) of the problem from its detected problem entities. The first task aims to reduce ambiguity by detecting and tagging the entities of the optimization problems. The second task creates an intermediate representation of the linear programming (LP) problem that is converted into a format that can be used by commercial solvers. In this report, we present the LP word problem dataset and shared tasks for the NeurIPS 2022 competition. Furthermore, we investigate and compare the performance of the ChatGPT large language model against the winning solutions. Through this competition, we hope to bring interest towards the development of novel machine learning applications and datasets for optimization modeling.

Multimodal models have demonstrated powerful capabilities in complex tasks requiring multimodal alignment including zero-shot classification and cross-modal retrieval. However, existing models typically rely on millions of paired multimodal samples, which are prohibitively expensive or infeasible to obtain in many domains. In this work, we explore the feasibility of building multimodal models with limited amount of paired data by aligning pretrained unimodal foundation models. We show that high-quality alignment is possible with as few as tens of thousands of paired samplesx2013less than 1% of the data typically used in the field. To achieve this, we introduce STRUCTURE, an effective regularization technique that preserves the neighborhood geometry of the latent space of unimodal encoders. Additionally, we show that aligning last layers is often suboptimal and demonstrate the benefits of aligning the layers with the highest representational similarity across modalities. These two components can be readily incorporated into existing alignment methods, yielding substantial gains across 24 zero-shot image classification and retrieval benchmarks, with average relative improvement of 51.6% in classification and 91.8% in retrieval tasks. Our results highlight the effectiveness and broad applicability of our framework for limited-sample multimodal learning and offer a promising path forward for resource-constrained domains.

LLMs have demonstrated commendable performance across diverse domains. Nevertheless, formulating high-quality prompts to instruct LLMs proficiently poses a challenge for non-AI experts. Existing research in prompt engineering suggests somewhat scattered optimization principles and designs empirically dependent prompt optimizers. Unfortunately, these endeavors lack a structured design template, incurring high learning costs and resulting in low reusability. In addition, it is not conducive to the iterative updating of prompts. Inspired by structured reusable programming languages, we propose LangGPT, a dual-layer prompt design framework as the programming language for LLMs. LangGPT has an easy-to-learn normative structure and provides an extended structure for migration and reuse. Experiments illustrate that LangGPT significantly enhances the performance of LLMs. Moreover, the case study shows that LangGPT leads LLMs to generate higher-quality responses. Furthermore, we analyzed the ease of use and reusability of LangGPT through a user survey in our online community.

We present a new approach to formulating and solving heterogeneous agent models with aggregate risk. We replace the cross-sectional distribution with low-dimensional prices as state variables and let agents learn equilibrium price dynamics directly from simulated paths. To do so, we introduce a structural reinforcement learning (SRL) method which treats prices via simulation while exploiting agents' structural knowledge of their own individual dynamics. Our SRL method yields a general and highly efficient global solution method for heterogeneous agent models that sidesteps the Master equation and handles problems traditional methods struggle with, in particular nontrivial market-clearing conditions. We illustrate the approach in the Krusell-Smith model, the Huggett model with aggregate shocks, and a HANK model with a forward-looking Phillips curve, all of which we solve globally within minutes.

Gradient-based optimization has been critical to the success of machine learning, updating a single set of parameters to minimize a single loss. A growing number of applications rely on a generalization of this, where we have a bilevel or nested optimization of which subsets of parameters update on different objectives nested inside each other. We focus on motivating examples of hyperparameter optimization and generative adversarial networks. However, naively applying classical methods often fails when we look at solving these nested problems on a large scale. In this thesis, we build tools for nested optimization that scale to deep learning setups.