Daily Papers

We introduce a framework for automatically defining and learning deep generative models with problem-specific structure. We tackle problem domains that are more traditionally solved by algorithms such as sorting, constraint satisfaction for Sudoku, and matrix factorization. Concretely, we train diffusion models with an architecture tailored to the problem specification. This problem specification should contain a graphical model describing relationships between variables, and often benefits from explicit representation of subcomputations. Permutation invariances can also be exploited. Across a diverse set of experiments we improve the scaling relationship between problem dimension and our model's performance, in terms of both training time and final accuracy. Our code can be found at https://github.com/plai-group/gsdm.

We review our recent work in the area of autonomous materials research, highlighting the coupling of machine learning methods and models and more problem-aware modeling. We review the general Bayesian framework for closed-loop design employed by many autonomous materials platforms. We then provide examples of our work on such platforms. We finally review our approaches to extend current statistical and ML models to better reflect problem-specific structure including the use of physics-based models and incorporation of operational considerations into the decision-making procedure.

Effective math tutoring requires not only solving problems but also diagnosing students' difficulties and guiding them step by step. While multimodal large language models (MLLMs) show promise, existing benchmarks largely overlook these tutoring skills. We introduce MMTutorBench, the first benchmark for AI math tutoring, consisting of 685 problems built around pedagogically significant key-steps. Each problem is paired with problem-specific rubrics that enable fine-grained evaluation across six dimensions, and structured into three tasks-Insight Discovery, Operation Formulation, and Operation Execution. We evaluate 12 leading MLLMs and find clear performance gaps between proprietary and open-source systems, substantial room compared to human tutors, and consistent trends across input variants: OCR pipelines degrade tutoring quality, few-shot prompting yields limited gains, and our rubric-based LLM-as-a-Judge proves highly reliable. These results highlight both the difficulty and diagnostic value of MMTutorBench for advancing AI tutoring.

Many theoretical results in deep learning can be traced to symmetry or equivariance of neural networks under parameter transformations. However, existing analyses are typically problem-specific and focus on first-order consequences such as conservation laws, while the implications for second-order structure remain less understood. We develop a general equivariance toolbox that yields coupled first- and second-order constraints on learning dynamics. The framework extends classical Noether-type analyses in three directions: from gradient constraints to Hessian constraints, from symmetry to general equivariance, and from continuous to discrete transformations. At the first order, our framework unifies conservation laws and implicit-bias relations as special cases of a single identity. At the second order, it provides structural predictions about curvature: which directions are flat or sharp, how the gradient aligns with Hessian eigenspaces, and how the loss landscape geometry reflects the underlying transformation structure. We illustrate the framework through several applications, recovering known results while also deriving new characterizations that connect transformation structure to modern empirical observations about optimization geometry.

We introduce Buffer of Thoughts (BoT), a novel and versatile thought-augmented reasoning approach for enhancing accuracy, efficiency and robustness of large language models (LLMs). Specifically, we propose meta-buffer to store a series of informative high-level thoughts, namely thought-template, distilled from the problem-solving processes across various tasks. Then for each problem, we retrieve a relevant thought-template and adaptively instantiate it with specific reasoning structures to conduct efficient reasoning. To guarantee the scalability and stability, we further propose buffer-manager to dynamically update the meta-buffer, thus enhancing the capacity of meta-buffer as more tasks are solved. We conduct extensive experiments on 10 challenging reasoning-intensive tasks, and achieve significant performance improvements over previous SOTA methods: 11% on Game of 24, 20% on Geometric Shapes and 51% on Checkmate-in-One. Further analysis demonstrate the superior generalization ability and model robustness of our BoT, while requiring only 12% of the cost of multi-query prompting methods (e.g., tree/graph of thoughts) on average. Notably, we find that our Llama3-8B+BoT has the potential to surpass Llama3-70B model. Our project is available at: https://github.com/YangLing0818/buffer-of-thought-llm

We introduce DragAPart, a method that, given an image and a set of drags as input, can generate a new image of the same object in a new state, compatible with the action of the drags. Differently from prior works that focused on repositioning objects, DragAPart predicts part-level interactions, such as opening and closing a drawer. We study this problem as a proxy for learning a generalist motion model, not restricted to a specific kinematic structure or object category. To this end, we start from a pre-trained image generator and fine-tune it on a new synthetic dataset, Drag-a-Move, which we introduce. Combined with a new encoding for the drags and dataset randomization, the new model generalizes well to real images and different categories. Compared to prior motion-controlled generators, we demonstrate much better part-level motion understanding.

Large language model (LLM)-based multi-agent systems (MAS) have demonstrated exceptional capabilities in solving complex tasks, yet their effectiveness depends heavily on the underlying communication topology that coordinates agent interactions. Within these systems, successful problem-solving often necessitates task-specific group structures to divide and conquer subtasks. However, most existing approaches generate communication topologies in a node-centric manner, leaving group structures to emerge implicitly from local connectivity decisions rather than modeling them explicitly, often leading to suboptimal coordination and unnecessary communication overhead. To address this limitation, we propose GoAgent (Group-of-Agents), a communication topology generation method that explicitly treats collaborative groups as the atomic units of MAS construction. Specifically, GoAgent first enumerates task-relevant candidate groups through an LLM and then autoregressively selects and connects these groups as atomic units to construct the final communication graph, jointly capturing intra-group cohesion and inter-group coordination. To mitigate communication redundancy and noise propagation inherent in expanding topologies, we further introduce a conditional information bottleneck (CIB) objective that compresses inter-group communication, preserving task-relevant signals while filtering out redundant historical noise. Extensive experiments on six benchmarks demonstrate the state-of-the-art performance of GoAgent with 93.84% average accuracy while reducing token consumption by about 17%.

Despite rapid advancements in large language models (LLMs), the token-level autoregressive nature constrains their complex reasoning capabilities. To enhance LLM reasoning, inference-time techniques, including Chain/Tree/Graph-of-Thought(s), successfully improve the performance, as they are fairly cost-effective by guiding reasoning through sophisticated logical structures without modifying LLMs' parameters. However, these manually predefined, task-agnostic frameworks are applied uniformly across diverse tasks, lacking adaptability. To improve this, we propose RL-of-Thoughts (RLoT), where we train a lightweight navigator model with reinforcement learning (RL) to adaptively enhance LLM reasoning at inference time. Specifically, we design five basic logic blocks from the perspective of human cognition. During the reasoning process, the trained RL navigator dynamically selects the suitable logic blocks and combines them into task-specific logical structures according to problem characteristics. Experiments across multiple reasoning benchmarks (AIME, MATH, GPQA, etc.) with multiple LLMs (GPT, Llama, Qwen, and DeepSeek) illustrate that RLoT outperforms established inference-time techniques by up to 13.4%. Remarkably, with less than 3K parameters, our RL navigator is able to make sub-10B LLMs comparable to 100B-scale counterparts. Moreover, the RL navigator demonstrates strong transferability: a model trained on one specific LLM-task pair can effectively generalize to unseen LLMs and tasks. Our code is open-source at https://anonymous.4open.science/r/RL-LLM-Reasoning-1A30 for reproducibility.

Quantitative chemistry is central to modern chemical research, yet the ability of large language models (LLMs) to perform its rigorous, step-by-step calculations remains underexplored. To fill this blank, we propose QCBench, a Quantitative Chemistry oriented benchmark comprising 350 computational chemistry problems across 7 chemistry subfields, which contains analytical chemistry, bio/organic chemistry, general chemistry, inorganic chemistry, physical chemistry, polymer chemistry and quantum chemistry. To systematically evaluate the mathematical reasoning abilities of large language models (LLMs), they are categorized into three tiers: easy, medium, and difficult. Each problem, rooted in realistic chemical scenarios, is structured to prevent heuristic shortcuts and demand explicit numerical reasoning. QCBench enables fine-grained diagnosis of computational weaknesses, reveals model-specific limitations across difficulty levels, and lays the groundwork for future improvements such as domain-adaptive fine-tuning or multi-modal integration. Evaluations on 24 LLMs demonstrate a consistent performance degradation with increasing task complexity, highlighting the current gap between language fluency and scientific computation accuracy. Code for QCBench is available at https://github.com/jiaqingxie/QCBench.

The computational prediction and design of peptide binders targeting specific linear epitopes is crucial in biological and biomedical research, yet it remains challenging due to their highly dynamic nature and the scarcity of experimentally solved binding data. To address this problem, we built an unprecedentedly large-scale library of peptide pairs within stable secondary structures (beta sheets), leveraging newly available AlphaFold predicted structures. We then developed a machine learning method based on the Transformer architecture for the design of specific linear binders, in analogy to a language translation task. Our method, TransformerBeta, accurately predicts specific beta strand interactions and samples sequences with beta sheet-like molecular properties, while capturing interpretable physico-chemical interaction patterns. As such, it can propose specific candidate binders targeting linear epitope for experimental validation to inform protein design.

Recent breakthroughs in the field of language-guided image generation have yielded impressive achievements, enabling the creation of high-quality and diverse images based on user instructions.Although the synthesis performance is fascinating, one significant limitation of current image generation models is their insufficient ability to generate text coherently within images, particularly for complex glyph structures like Chinese characters. To address this problem, we introduce GlyphDraw, a general learning framework aiming to endow image generation models with the capacity to generate images coherently embedded with text for any specific language.We first sophisticatedly design the image-text dataset's construction strategy, then build our model specifically on a diffusion-based image generator and carefully modify the network structure to allow the model to learn drawing language characters with the help of glyph and position information.Furthermore, we maintain the model's open-domain image synthesis capability by preventing catastrophic forgetting by using parameter-efficient fine-tuning techniques.Extensive qualitative and quantitative experiments demonstrate that our method not only produces accurate language characters as in prompts, but also seamlessly blends the generated text into the background.Please refer to our https://1073521013.github.io/glyph-draw.github.io/{project page}. abstract

Predicting how a drug-like molecule binds to a specific protein target is a core problem in drug discovery. An extremely fast computational binding method would enable key applications such as fast virtual screening or drug engineering. Existing methods are computationally expensive as they rely on heavy candidate sampling coupled with scoring, ranking, and fine-tuning steps. We challenge this paradigm with EquiBind, an SE(3)-equivariant geometric deep learning model performing direct-shot prediction of both i) the receptor binding location (blind docking) and ii) the ligand's bound pose and orientation. EquiBind achieves significant speed-ups and better quality compared to traditional and recent baselines. Further, we show extra improvements when coupling it with existing fine-tuning techniques at the cost of increased running time. Finally, we propose a novel and fast fine-tuning model that adjusts torsion angles of a ligand's rotatable bonds based on closed-form global minima of the von Mises angular distance to a given input atomic point cloud, avoiding previous expensive differential evolution strategies for energy minimization.

Question Answering on Electronic Health Records (EHR-QA) has a significant impact on the healthcare domain, and it is being actively studied. Previous research on structured EHR-QA focuses on converting natural language queries into query language such as SQL or SPARQL (NLQ2Query), so the problem scope is limited to pre-defined data types by the specific query language. In order to expand the EHR-QA task beyond this limitation to handle multi-modal medical data and solve complex inference in the future, more primitive systemic language is needed. In this paper, we design the program-based model (NLQ2Program) for EHR-QA as the first step towards the future direction. We tackle MIMICSPARQL*, the graph-based EHR-QA dataset, via a program-based approach in a semi-supervised manner in order to overcome the absence of gold programs. Without the gold program, our proposed model shows comparable performance to the previous state-of-the-art model, which is an NLQ2Query model (0.9% gain). In addition, for a reliable EHR-QA model, we apply the uncertainty decomposition method to measure the ambiguity in the input question. We empirically confirmed data uncertainty is most indicative of the ambiguity in the input question.

Solving image-to-3D from a single view is an ill-posed problem, and current neural reconstruction methods addressing it through diffusion models still rely on scene-specific optimization, constraining their generalization capability. To overcome the limitations of existing approaches regarding generalization and consistency, we introduce a novel neural rendering technique. Our approach employs the signed distance function as the surface representation and incorporates generalizable priors through geometry-encoding volumes and HyperNetworks. Specifically, our method builds neural encoding volumes from generated multi-view inputs. We adjust the weights of the SDF network conditioned on an input image at test-time to allow model adaptation to novel scenes in a feed-forward manner via HyperNetworks. To mitigate artifacts derived from the synthesized views, we propose the use of a volume transformer module to improve the aggregation of image features instead of processing each viewpoint separately. Through our proposed method, dubbed as Hyper-VolTran, we avoid the bottleneck of scene-specific optimization and maintain consistency across the images generated from multiple viewpoints. Our experiments show the advantages of our proposed approach with consistent results and rapid generation.

Writing competitive programming problems is exacting. Authors must: set constraints, input distributions, and edge cases that rule out shortcuts; target specific algorithms (e.g., max-flow, dynamic programming, data structures); and calibrate complexity beyond the reach of most competitors. We argue that this makes for an ideal test of general large language model capabilities and study whether they can do this reliably. We introduce AutoCode, which uses multiple rounds of validation to yield competition-grade problem statements and test cases. On held-out problems, AutoCode test suites approach 99% consistency with official judgments, a significant improvement over current state-of-the-art methods like HardTests, which achieve less than 81%. Furthermore, starting with a random seed problem, AutoCode can create novel variants with reference and brute-force solutions. By cross-verifying these generated solutions against test cases, we can further filter out malformed problems. Our system ensures high correctness, as verified by human experts. AutoCode successfully produces novel problems judged by Grandmaster-level (top 0.3%) competitive programmers to be of contest quality.

Visual correspondence across image-to-image (2D-2D), image-to-point cloud (2D-3D), and point cloud-to-point cloud (3D-3D) geometric matching forms the foundation for numerous 3D vision tasks. Despite sharing a similar problem structure, current methods use task-specific designs with separate models for each modality combination. We present UniCorrn, the first correspondence model with shared weights that unifies geometric matching across all three tasks. Our key insight is that Transformer attention naturally captures cross-modal feature similarity. We propose a dual-stream decoder that maintains separate appearance and positional feature streams. This design enables end-to-end learning through stack-able layers while supporting flexible query-based correspondence estimation across heterogeneous modalities. Our architecture employs modality-specific backbones followed by shared encoder and decoder components, trained jointly on diverse data combining pseudo point clouds from depth maps with real 3D correspondence annotations. UniCorrn achieves competitive performance on 2D-2D matching and surpasses prior state-of-the-art by 8% on 7Scenes (2D-3D) and 10% on 3DLoMatch (3D-3D) in registration recall. Project website: https://neu-vi.github.io/UniCorrn

Recent supervised fine-tuning (SFT) approaches have significantly improved language models' performance on mathematical reasoning tasks, even when models are trained at a small scale. However, the specific capabilities enhanced through such fine-tuning remain poorly understood. In this paper, we conduct a detailed analysis of model performance on the AIME24 dataset to understand how reasoning capabilities evolve. We discover a ladder-like structure in problem difficulty, categorize questions into four tiers (Easy, Medium, Hard, and Extremely Hard (Exh)), and identify the specific requirements for advancing between tiers. We find that progression from Easy to Medium tier requires adopting an R1 reasoning style with minimal SFT (500-1K instances), while Hard-level questions suffer from frequent model's errors at each step of the reasoning chain, with accuracy plateauing at around 65% despite logarithmic scaling. Exh-level questions present a fundamentally different challenge; they require unconventional problem-solving skills that current models uniformly struggle with. Additional findings reveal that carefully curated small-scale datasets offer limited advantage-scaling dataset size proves far more effective. Our analysis provides a clearer roadmap for advancing language model capabilities in mathematical reasoning.

A Transformer-based deep direct sampling method is proposed for electrical impedance tomography, a well-known severely ill-posed nonlinear boundary value inverse problem. A real-time reconstruction is achieved by evaluating the learned inverse operator between carefully designed data and the reconstructed images. An effort is made to give a specific example to a fundamental question: whether and how one can benefit from the theoretical structure of a mathematical problem to develop task-oriented and structure-conforming deep neural networks? Specifically, inspired by direct sampling methods for inverse problems, the 1D boundary data in different frequencies are preprocessed by a partial differential equation-based feature map to yield 2D harmonic extensions as different input channels. Then, by introducing learnable non-local kernels, the direct sampling is recast to a modified attention mechanism. The new method achieves superior accuracy over its predecessors and contemporary operator learners and shows robustness to noises in benchmarks. This research shall strengthen the insights that, despite being invented for natural language processing tasks, the attention mechanism offers great flexibility to be modified in conformity with the a priori mathematical knowledge, which ultimately leads to the design of more physics-compatible neural architectures.

Recently, cutting-plane methods such as GCP-CROWN have been explored to enhance neural network verifiers and made significant advances. However, GCP-CROWN currently relies on generic cutting planes (cuts) generated from external mixed integer programming (MIP) solvers. Due to the poor scalability of MIP solvers, large neural networks cannot benefit from these cutting planes. In this paper, we exploit the structure of the neural network verification problem to generate efficient and scalable cutting planes specific for this problem setting. We propose a novel approach, Branch-and-bound Inferred Cuts with COnstraint Strengthening (BICCOS), which leverages the logical relationships of neurons within verified subproblems in the branch-and-bound search tree, and we introduce cuts that preclude these relationships in other subproblems. We develop a mechanism that assigns influence scores to neurons in each path to allow the strengthening of these cuts. Furthermore, we design a multi-tree search technique to identify more cuts, effectively narrowing the search space and accelerating the BaB algorithm. Our results demonstrate that BICCOS can generate hundreds of useful cuts during the branch-and-bound process and consistently increase the number of verifiable instances compared to other state-of-the-art neural network verifiers on a wide range of benchmarks, including large networks that previous cutting plane methods could not scale to. BICCOS is part of the α,β-CROWN verifier, the VNN-COMP 2024 winner. The code is available at http://github.com/Lemutisme/BICCOS .

Claims made by individuals or entities are oftentimes nuanced and cannot be clearly labeled as entirely "true" or "false" -- as is frequently the case with scientific and political claims. However, a claim (e.g., "vaccine A is better than vaccine B") can be dissected into its integral aspects and sub-aspects (e.g., efficacy, safety, distribution), which are individually easier to validate. This enables a more comprehensive, structured response that provides a well-rounded perspective on a given problem while also allowing the reader to prioritize specific angles of interest within the claim (e.g., safety towards children). Thus, we propose ClaimSpect, a retrieval-augmented generation-based framework for automatically constructing a hierarchy of aspects typically considered when addressing a claim and enriching them with corpus-specific perspectives. This structure hierarchically partitions an input corpus to retrieve relevant segments, which assist in discovering new sub-aspects. Moreover, these segments enable the discovery of varying perspectives towards an aspect of the claim (e.g., support, neutral, or oppose) and their respective prevalence (e.g., "how many biomedical papers believe vaccine A is more transportable than B?"). We apply ClaimSpect to a wide variety of real-world scientific and political claims featured in our constructed dataset, showcasing its robustness and accuracy in deconstructing a nuanced claim and representing perspectives within a corpus. Through real-world case studies and human evaluation, we validate its effectiveness over multiple baselines.

An increasing number of public datasets have shown a marked impact on automated organ segmentation and tumor detection. However, due to the small size and partially labeled problem of each dataset, as well as a limited investigation of diverse types of tumors, the resulting models are often limited to segmenting specific organs/tumors and ignore the semantics of anatomical structures, nor can they be extended to novel domains. To address these issues, we propose the CLIP-Driven Universal Model, which incorporates text embedding learned from Contrastive Language-Image Pre-training (CLIP) to segmentation models. This CLIP-based label encoding captures anatomical relationships, enabling the model to learn a structured feature embedding and segment 25 organs and 6 types of tumors. The proposed model is developed from an assembly of 14 datasets, using a total of 3,410 CT scans for training and then evaluated on 6,162 external CT scans from 3 additional datasets. We rank first on the Medical Segmentation Decathlon (MSD) public leaderboard and achieve state-of-the-art results on Beyond The Cranial Vault (BTCV). Additionally, the Universal Model is computationally more efficient (6x faster) compared with dataset-specific models, generalized better to CT scans from varying sites, and shows stronger transfer learning performance on novel tasks.

Multi-task learning (MTL) has shown considerable practical benefits, particularly when using pre-trained language models (PLMs). While this is commonly achieved by simultaneously learning n tasks under a joint optimization procedure, recent methods such as AdapterFusion structure the problem into two distinct stages: (i) task learning, where knowledge specific to a task is encapsulated within sets of parameters (\eg adapters), and (ii) transfer, where this already learned knowledge is leveraged for a target task. This separation of concerns provides numerous benefits, such as promoting reusability, and addressing cases involving data privacy and societal concerns; on the flip side, current two-stage MTL methods come with the cost of introducing a substantial number of additional parameters. In this work, we address this issue by leveraging the usefulness of linearly scaling the output representations of source adapters for transfer learning. We introduce ScaLearn, a simple and highly parameter-efficient two-stage MTL method that capitalizes on the knowledge of the source tasks by learning a minimal set of scaling parameters that enable effective knowledge transfer to a target task. Our experiments on three benchmarks (GLUE, SuperGLUE, and HumSet) show that our ScaLearn, in addition to facilitating the benefits of two-stage MTL, consistently outperforms strong baselines with only a small number of transfer parameters - roughly 0.35% of those of AdapterFusion. Remarkably, we observe that ScaLearn maintains its strong abilities even when further reducing parameters through uniform scaling and layer-sharing, achieving similarly competitive results with only 8 transfer parameters for each target task. Our proposed approach thus demonstrates the power of simple scaling as a promise for more efficient task transfer.

Competitive STEM examinations such as JEE and NEET require multi-step symbolic reasoning, precise numerical computation, and deep conceptual understanding across physics, chemistry, and mathematics. Recent large language models perform strongly on common reasoning benchmarks, yet they remain difficult to deploy at scale, where millions of student doubts demand domain-specific, consistently structured problem solving. We introduce Aryabhata 2, a reasoning-focused language model for competitive STEM examinations, trained via reinforcement-learning post-training. Using PhysicsWallah's internal question banks, we construct a high-quality training curriculum and post-train GPT-OSS-20B through reinforcement learning with verifiable rewards. Training combines prolonged reinforcement learning with broadened exploration via progressively larger rollout group sizes. We evaluate Aryabhata 2 on competitive examination benchmarks, including JEE Main, JEE Advanced, and NEET, as well as out-of-distribution reasoning datasets such as AIME, HMMT, MMLU-Pro, MMLU-Redux 2.0, and GPQA. Results show that Aryabhata 2 outperforms its base model GPT-OSS-20B on competitive STEM reasoning while requiring substantially fewer output tokens (up to 64\% fewer).

A key requirement for the success of supervised deep learning is a large labeled dataset - a condition that is difficult to meet in medical image analysis. Self-supervised learning (SSL) can help in this regard by providing a strategy to pre-train a neural network with unlabeled data, followed by fine-tuning for a downstream task with limited annotations. Contrastive learning, a particular variant of SSL, is a powerful technique for learning image-level representations. In this work, we propose strategies for extending the contrastive learning framework for segmentation of volumetric medical images in the semi-supervised setting with limited annotations, by leveraging domain-specific and problem-specific cues. Specifically, we propose (1) novel contrasting strategies that leverage structural similarity across volumetric medical images (domain-specific cue) and (2) a local version of the contrastive loss to learn distinctive representations of local regions that are useful for per-pixel segmentation (problem-specific cue). We carry out an extensive evaluation on three Magnetic Resonance Imaging (MRI) datasets. In the limited annotation setting, the proposed method yields substantial improvements compared to other self-supervision and semi-supervised learning techniques. When combined with a simple data augmentation technique, the proposed method reaches within 8% of benchmark performance using only two labeled MRI volumes for training, corresponding to only 4% (for ACDC) of the training data used to train the benchmark. The code is made public at https://github.com/krishnabits001/domain_specific_cl.

Large language models (LLMs) have reshaped the landscape of program synthesis. However, contemporary LLM-based code completion systems often hallucinate broken code because they lack appropriate context, particularly when working with definitions not in the training data nor near the cursor. This paper demonstrates that tight integration with the type and binding structure of a language, as exposed by its language server, can address this contextualization problem in a token-efficient manner. In short, we contend that AIs need IDEs, too! In particular, we integrate LLM code generation into the Hazel live program sketching environment. The Hazel Language Server identifies the type and typing context of the hole being filled, even in the presence of errors, ensuring that a meaningful program sketch is always available. This allows prompting with codebase-wide contextual information not lexically local to the cursor, nor necessarily in the same file, but that is likely to be semantically local to the developer's goal. Completions synthesized by the LLM are then iteratively refined via further dialog with the language server. To evaluate these techniques, we introduce MVUBench, a dataset of model-view-update (MVU) web applications. These applications serve as challenge problems due to their reliance on application-specific data structures. We find that contextualization with type definitions is particularly impactful. After introducing our ideas in the context of Hazel we duplicate our techniques and port MVUBench to TypeScript in order to validate the applicability of these methods to higher-resource languages. Finally, we outline ChatLSP, a conservative extension to the Language Server Protocol (LSP) that language servers can implement to expose capabilities that AI code completion systems of various designs can use to incorporate static context when generating prompts for an LLM.

Due to the fast pace of life and online communications and the prevalence of English and the QWERTY keyboard, people tend to forgo using diacritics, make typographical errors (typos) when typing in other languages. Restoring diacritics and correcting spelling is important for proper language use and the disambiguation of texts for both humans and downstream algorithms. However, both of these problems are typically addressed separately: the state-of-the-art diacritics restoration methods do not tolerate other typos, but classical spellcheckers also cannot deal adequately with all the diacritics missing. In this work, we tackle both problems at once by employing the newly-developed universal ByT5 byte-level seq2seq transformer model that requires no language-specific model structures. For a comparison, we perform diacritics restoration on benchmark datasets of 12 languages, with the addition of Lithuanian. The experimental investigation proves that our approach is able to achieve results (> 98%) comparable to the previous state-of-the-art, despite being trained less and on fewer data. Our approach is also able to restore diacritics in words not seen during training with > 76% accuracy. Our simultaneous diacritics restoration and typos correction approach reaches > 94% alpha-word accuracy on the 13 languages. It has no direct competitors and strongly outperforms classical spell-checking or dictionary-based approaches. We also demonstrate all the accuracies to further improve with more training. Taken together, this shows the great real-world application potential of our suggested methods to more data, languages, and error classes.

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.

Multi-agent systems built on Large Language Models (LLMs) show exceptional promise for complex collaborative problem-solving, yet they face fundamental challenges stemming from context window limitations that impair memory consistency, role adherence, and procedural integrity. This paper introduces Intrinsic Memory Agents, a novel framework that addresses these limitations through agent-specific memories that evolve intrinsically with agent outputs. Specifically, our method maintains role-aligned memory that preserves specialized perspectives while focusing on task-relevant information. Our approach utilises a generic memory template applicable to new problems without the need to hand-craft specific memory prompts. We benchmark our approach on the PDDL, FEVER, and ALFWorld datasets, comparing its performance to existing state-of-the-art multi-agentic memory approaches and showing state-of-the-art or comparable performance across all three, with the highest consistency. An additional evaluation is performed on a complex data pipeline design task, and we demonstrate that our approach produces higher quality designs across 5 metrics: scalability, reliability, usability, cost-effectiveness, and documentation, plus additional qualitative evidence of the improvements. Our findings suggest that addressing memory limitations through intrinsic approaches can improve the capabilities of multi-agent LLM systems on structured planning tasks.

Multimodal Aspect-Based Sentiment Analysis (MABSA) seeks to extract fine-grained information from image-text pairs to identify aspect terms and determine their sentiment polarity. However, existing approaches often fall short in simultaneously addressing three core challenges: Sentiment Cue Perception (SCP), Multimodal Information Misalignment (MIM), and Semantic Noise Elimination (SNE). To overcome these limitations, we propose DASCO (Dependency Structure Augmented Scoping Framework), a fine-grained scope-oriented framework that enhances aspect-level sentiment reasoning by leveraging dependency parsing trees. First, we designed a multi-task pretraining strategy for MABSA on our base model, combining aspect-oriented enhancement, image-text matching, and aspect-level sentiment-sensitive cognition. This improved the model's perception of aspect terms and sentiment cues while achieving effective image-text alignment, addressing key challenges like SCP and MIM. Furthermore, we incorporate dependency trees as syntactic branch combining with semantic branch, guiding the model to selectively attend to critical contextual elements within a target-specific scope while effectively filtering out irrelevant noise for addressing SNE problem. Extensive experiments on two benchmark datasets across three subtasks demonstrate that DASCO achieves state-of-the-art performance in MABSA, with notable gains in JMASA (+2.3\% F1 and +3.5\% precision on Twitter2015). The source code is available at https://github.com/LHaoooo/DASCO .

Instance-specific algorithm configuration and algorithm portfolios have been shown to offer significant improvements over single algorithm approaches in a variety of application domains. In the SAT and CSP domains algorithm portfolios have consistently dominated the main competitions in these fields for the past five years. For a portfolio approach to be effective there are two crucial conditions that must be met. First, there needs to be a collection of complementary solvers with which to make a portfolio. Second, there must be a collection of problem features that can accurately identify structural differences between instances. This paper focuses on the latter issue: feature representation, because, unlike SAT, not every problem has well-studied features. We employ the well-known SATzilla feature set, but compute alternative sets on different SAT encodings of CSPs. We show that regardless of what encoding is used to convert the instances, adequate structural information is maintained to differentiate between problem instances, and that this can be exploited to make an effective portfolio-based CSP solver.

The field of natural language processing (NLP) has witnessed significant progress in recent years, with a notable focus on improving large language models' (LLM) performance through innovative prompting techniques. Among these, prompt engineering coupled with structures has emerged as a promising paradigm, with designs such as Chain-of-Thought, Tree of Thoughts, or Graph of Thoughts, in which the overall LLM reasoning is guided by a structure such as a graph. As illustrated with numerous examples, this paradigm significantly enhances the LLM's capability to solve numerous tasks, ranging from logical or mathematical reasoning to planning or creative writing. To facilitate the understanding of this growing field and pave the way for future developments, we devise a general blueprint for effective and efficient LLM reasoning schemes. For this, we conduct an in-depth analysis of the prompt execution pipeline, clarifying and clearly defining different concepts. We then build the first taxonomy of structure-enhanced LLM reasoning schemes. We focus on identifying fundamental classes of harnessed structures, and we analyze the representations of these structures, algorithms executed with these structures, and many others. We refer to these structures as reasoning topologies, because their representation becomes to a degree spatial, as they are contained within the LLM context. Our study compares existing prompting schemes using the proposed taxonomy, discussing how certain design choices lead to different patterns in performance and cost. We also outline theoretical underpinnings, relationships between prompting and others parts of the LLM ecosystem such as knowledge bases, and the associated research challenges. Our work will help to advance future prompt engineering techniques.

Large Language Models (LLMs) exhibit remarkable proficiency in addressing a diverse array of tasks within the Natural Language Processing (NLP) domain, with various prompt design strategies significantly augmenting their capabilities. However, these prompts, while beneficial, each possess inherent limitations. The primary prompt design methodologies are twofold: The first, exemplified by the Chain of Thought (CoT), involves manually crafting prompts specific to individual datasets, hence termed Expert-Designed Prompts (EDPs). Once these prompts are established, they are unalterable, and their effectiveness is capped by the expertise of the human designers. When applied to LLMs, the static nature of EDPs results in a uniform approach to both simple and complex problems within the same dataset, leading to the inefficient use of tokens for straightforward issues. The second method involves prompts autonomously generated by the LLM, known as LLM-Derived Prompts (LDPs), which provide tailored solutions to specific problems, mitigating the limitations of EDPs. However, LDPs may encounter a decline in performance when tackling complex problems due to the potential for error accumulation during the solution planning process. To address these challenges, we have conceived a novel Prompt Recursive Search (PRS) framework that leverages the LLM to generate solutions specific to the problem, thereby conserving tokens. The framework incorporates an assessment of problem complexity and an adjustable structure, ensuring a reduction in the likelihood of errors. We have substantiated the efficacy of PRS framework through extensive experiments using LLMs with different numbers of parameters across a spectrum of datasets in various domains. Compared to the CoT method, the PRS method has increased the accuracy on the BBH dataset by 8% using Llama3-7B model, achieving a 22% improvement.

Task semantics can be expressed by a set of input-to-output examples or a piece of textual instruction. Conventional machine learning approaches for natural language processing (NLP) mainly rely on the availability of large-scale sets of task-specific examples. Two issues arise: first, collecting task-specific labeled examples does not apply to scenarios where tasks may be too complicated or costly to annotate, or the system is required to handle a new task immediately; second, this is not user-friendly since end-users are probably more willing to provide task description rather than a set of examples before using the system. Therefore, the community is paying increasing interest in a new supervision-seeking paradigm for NLP: learning from task instructions. Despite its impressive progress, there are some common issues that the community struggles with. This survey paper tries to summarize and provide insights into the current research on instruction learning, particularly by answering the following questions: (i) What is task instruction, and what instruction types exist? (ii) How to model instructions? (iii) What factors influence and explain the instructions' performance? (iv) What challenges remain in instruction learning? To our knowledge, this is the first comprehensive survey about textual instructions.

Graphs provide a natural representation of relational structure that arises across diverse domains. Despite this ubiquity, graph structure is typically learned in a modality- and task-isolated manner, where graph representations are constructed within individual task contexts and discarded thereafter. As a result, structural regularities across modalities and tasks are repeatedly reconstructed rather than accumulated at the level of intermediate graph representations. This motivates a representation-learning question: how should graph structure be organized so that it can persist and accumulate across heterogeneous modalities and tasks? We adopt a representation-centric perspective in which graph structure is treated as a structural substrate that persists across learning contexts. To instantiate this perspective, we propose G-Substrate, a graph substrate framework that organizes learning around shared graph structures. G-Substrate comprises two complementary mechanisms: a unified structural schema that ensures compatibility among graph representations across heterogeneous modalities and tasks, and an interleaved role-based training strategy that exposes the same graph structure to multiple functional roles during learning. Experiments across multiple domains, modalities, and tasks show that G-Substrate outperforms task-isolated and naive multi-task learning methods. The codebase, model, and datasets are available at https://github.com/zmli6/G-Substrate.

Large language model (LLM) performance on reasoning problems typically does not generalize out of distribution. Previous work has claimed that this can be mitigated by modifying prompts to include examples with chains of thought--demonstrations of solution procedures--with the intuition that it is possible to in-context teach an LLM an algorithm for solving the problem. This paper presents a case study of chain of thought on problems from Blocksworld, a classical planning domain, and examine the performance of two state-of-the-art LLMs across two axes: generality of examples given in prompt, and complexity of problems queried with each prompt. While our problems are very simple, we only find meaningful performance improvements from chain of thought prompts when those prompts are exceedingly specific to their problem class, and that those improvements quickly deteriorate as the size n of the query-specified stack grows past the size of stacks shown in the examples. Our results hint that, contrary to previous claims in the literature, CoT's performance improvements do not stem from the model learning general algorithmic procedures via demonstrations and depend on carefully engineering highly problem specific prompts. This spotlights drawbacks of chain of thought, especially because of the sharp tradeoff between possible performance gains and the amount of human labor necessary to generate examples with correct reasoning traces.

Think about how human handles complex reading tasks: marking key points, inferring their relationships, and structuring information to guide understanding and responses. Likewise, can a large language model benefit from text structure to enhance text-processing performance? To explore it, in this work, we first introduce Structure of Thought (SoT), a prompting technique that explicitly guides models to construct intermediate text structures, consistently boosting performance across eight tasks and three model families. Building upon this insight, we present T2S-Bench, the first benchmark designed to evaluate and improve text-to-structure capabilities of models. T2S-Bench includes 1.8K samples across 6 scientific domains and 32 structural types, rigorously constructed to ensure accuracy, fairness, and quality. Evaluation on 45 mainstream models reveals substantial improvement potential: the average accuracy on the multi-hop reasoning task is only 52.1%, and even the most advanced model achieves 58.1% node accuracy in end-to-end extraction. Furthermore, on Qwen2.5-7B-Instruct, SoT alone yields an average +5.7% improvement across eight diverse text-processing tasks, and fine-tuning on T2S-Bench further increases this gain to +8.6%. These results highlight the value of explicit text structuring and the complementary contributions of SoT and T2S-Bench. Dataset and eval code have been released at https://t2s-bench.github.io/T2S-Bench-Page/.

Typically, machine learning systems solve new tasks by training on thousands of examples. In contrast, humans can solve new tasks by reading some instructions, with perhaps an example or two. To take a step toward closing this gap, we introduce a framework for developing NLP systems that solve new tasks after reading their descriptions, synthesizing prior work in this area. We instantiate this framework with a new English language dataset, ZEST, structured for task-oriented evaluation on unseen tasks. Formulating task descriptions as questions, we ensure each is general enough to apply to many possible inputs, thus comprehensively evaluating a model's ability to solve each task. Moreover, the dataset's structure tests specific types of systematic generalization. We find that the state-of-the-art T5 model achieves a score of 12% on ZEST, leaving a significant challenge for NLP researchers.

Recent Language Models (LMs) achieve breakthrough performance in code generation when trained on human-authored problems, even solving some competitive-programming problems. Self-play has proven useful in games such as Go, and thus it is natural to ask whether LMs can generate their own instructive programming problems to improve their performance. We show that it is possible for an LM to synthesize programming problems and solutions, which are filtered for correctness by a Python interpreter. The LM's performance is then seen to improve when it is fine-tuned on its own synthetic problems and verified solutions; thus the model 'improves itself' using the Python interpreter. Problems are specified formally as programming puzzles [Schuster et al., 2021], a code-based problem format where solutions can easily be verified for correctness by execution. In experiments on publicly-available LMs, test accuracy more than doubles. This work demonstrates the potential for code LMs, with an interpreter, to generate instructive problems and improve their own performance.

Twenty-seven years ago, E. Freuder highlighted that "Constraint programming represents one of the closest approaches computer science has yet made to the Holy Grail of programming: the user states the problem, the computer solves it". Nowadays, CP users have great modeling tools available (like Minizinc and CPMpy), allowing them to formulate the problem and then let a solver do the rest of the job, getting closer to the stated goal. However, this still requires the CP user to know the formalism and respect it. Another significant challenge lies in the expertise required to effectively model combinatorial problems. All this limits the wider adoption of CP. In this position paper, we investigate a possible approach to leverage pre-trained Large Language Models to extract models from textual problem descriptions. More specifically, we take inspiration from the Natural Language Processing for Optimization (NL4OPT) challenge and present early results with a decomposition-based prompting approach to GPT Models.

Large language models (LLMs) are known to struggle with complicated reasoning tasks such as math word problems (MWPs). In this paper, we present how analogy from similarly structured questions can improve LLMs' problem-solving capabilities for MWPs. Specifically, we rely on the retrieval of problems with similar computational graphs to the given question to serve as exemplars in the prompt, providing the correct reasoning path for the generation model to refer to. Empirical results across six math word problem datasets demonstrate the effectiveness of our proposed method, which achieves a significant improvement of up to 6.7 percent on average in absolute value, compared to baseline methods. These results highlight our method's potential in addressing the reasoning challenges in current LLMs.

Large language models (LLMs) have shown remarkable progress in coding and math problem-solving, but evaluation on advanced research-level problems in hard sciences remains scarce. To fill this gap, we present CMT-Benchmark, a dataset of 50 problems covering condensed matter theory (CMT) at the level of an expert researcher. Topics span analytical and computational approaches in quantum many-body, and classical statistical mechanics. The dataset was designed and verified by a panel of expert researchers from around the world. We built the dataset through a collaborative environment that challenges the panel to write and refine problems they would want a research assistant to solve, including Hartree-Fock, exact diagonalization, quantum/variational Monte Carlo, density matrix renormalization group (DMRG), quantum/classical statistical mechanics, and model building. We evaluate LLMs by programmatically checking solutions against expert-supplied ground truth. We developed machine-grading, including symbolic handling of non-commuting operators via normal ordering. They generalize across tasks too. Our evaluations show that frontier models struggle with all of the problems in the dataset, highlighting a gap in the physical reasoning skills of current LLMs. Notably, experts identified strategies for creating increasingly difficult problems by interacting with the LLMs and exploiting common failure modes. The best model, GPT5, solves 30\% of the problems; average across 17 models (GPT, Gemini, Claude, DeepSeek, Llama) is 11.4pm2.1\%. Moreover, 18 problems are solved by none of the 17 models, and 26 by at most one. These unsolved problems span Quantum Monte Carlo, Variational Monte Carlo, and DMRG. Answers sometimes violate fundamental symmetries or have unphysical scaling dimensions. We believe this benchmark will guide development toward capable AI research assistants and tutors.

Sparse autoencoders have recently produced dictionaries of high-dimensional vectors corresponding to the universe of concepts represented by large language models. We find that this concept universe has interesting structure at three levels: 1) The "atomic" small-scale structure contains "crystals" whose faces are parallelograms or trapezoids, generalizing well-known examples such as (man-woman-king-queen). We find that the quality of such parallelograms and associated function vectors improves greatly when projecting out global distractor directions such as word length, which is efficiently done with linear discriminant analysis. 2) The "brain" intermediate-scale structure has significant spatial modularity; for example, math and code features form a "lobe" akin to functional lobes seen in neural fMRI images. We quantify the spatial locality of these lobes with multiple metrics and find that clusters of co-occurring features, at coarse enough scale, also cluster together spatially far more than one would expect if feature geometry were random. 3) The "galaxy" scale large-scale structure of the feature point cloud is not isotropic, but instead has a power law of eigenvalues with steepest slope in middle layers. We also quantify how the clustering entropy depends on the layer.

Constraint programming is known for being an efficient approach for solving combinatorial problems. Important design choices in a solver are the branching heuristics, which are designed to lead the search to the best solutions in a minimum amount of time. However, developing these heuristics is a time-consuming process that requires problem-specific expertise. This observation has motivated many efforts to use machine learning to automatically learn efficient heuristics without expert intervention. To the best of our knowledge, it is still an open research question. Although several generic variable-selection heuristics are available in the literature, the options for a generic value-selection heuristic are more scarce. In this paper, we propose to tackle this issue by introducing a generic learning procedure that can be used to obtain a value-selection heuristic inside a constraint programming solver. This has been achieved thanks to the combination of a deep Q-learning algorithm, a tailored reward signal, and a heterogeneous graph neural network architecture. Experiments on graph coloring, maximum independent set, and maximum cut problems show that our framework is able to find better solutions close to optimality without requiring a large amounts of backtracks while being generic.

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.

While large language models (LLMs) have recently demonstrated strong potential in solving planning problems, there is a trade-off between flexibility and complexity. LLMs, as zero-shot planners themselves, are still not capable of directly generating valid plans for complex planning problems such as multi-constraint or long-horizon tasks. On the other hand, many frameworks aiming to solve complex planning problems often rely on task-specific preparatory efforts, such as task-specific in-context examples and pre-defined critics/verifiers, which limits their cross-task generalization capability. In this paper, we tackle these challenges by observing that the core of many planning problems lies in optimization problems: searching for the optimal solution (best plan) with goals subject to constraints (preconditions and effects of decisions). With LLMs' commonsense, reasoning, and programming capabilities, this opens up the possibilities of a universal LLM-based approach to planning problems. Inspired by this observation, we propose LLMFP, a general-purpose framework that leverages LLMs to capture key information from planning problems and formally formulate and solve them as optimization problems from scratch, with no task-specific examples needed. We apply LLMFP to 9 planning problems, ranging from multi-constraint decision making to multi-step planning problems, and demonstrate that LLMFP achieves on average 83.7% and 86.8% optimal rate across 9 tasks for GPT-4o and Claude 3.5 Sonnet, significantly outperforming the best baseline (direct planning with OpenAI o1-preview) with 37.6% and 40.7% improvements. We also validate components of LLMFP with ablation experiments and analyzed the underlying success and failure reasons.

Large Language Models (LLMs) have demonstrated remarkable performance across multiple tasks through in-context learning. For complex reasoning tasks that require step-by-step thinking, Chain-of-Thought (CoT) prompting has given impressive results, especially when combined with self-consistency. Nonetheless, some tasks remain particularly difficult for LLMs to solve. Tree of Thoughts (ToT) and Graph of Thoughts (GoT) emerged as alternatives, dividing the complex problem into paths of subproblems. In this paper, we propose Tree of Problems (ToP), a simpler version of ToT, which we hypothesise can work better for complex tasks that can be divided into identical subtasks. Our empirical results show that our approach outperforms ToT and GoT, and in addition performs better than CoT on complex reasoning tasks. All code for this paper is publicly available here: https://github.com/ArmelRandy/tree-of-problems.

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.

Recent large language models (LLMs) have shown indications of mathematical reasoning ability. However it has not been clear how they would fare on more challenging competition-level problems. And while self-generated verbalizations of intermediate reasoning steps (i.e., chain-of-thought prompting) have been shown to be helpful, whether LLMs can make use of helpful side information such as problem-specific hints has not been investigated before. In this paper, we propose a challenging benchmark dataset for enabling such analyses. The Concept and Hint-Annotated Math Problems (CHAMP) consists of high school math competition problems, annotated with concepts, or general math facts, and hints, or problem-specific tricks. These annotations allow us to explore the effects of additional information, such as relevant hints, misleading concepts, or related problems. This benchmark is difficult, with the best model only scoring 58.1% in standard settings. With concepts and hints, performance sometimes improves, indicating that some models can make use of such side information. We further annotate model-generated solutions for their correctness. Using this corpus, we find that models often arrive at the correct final answer through wrong reasoning steps. In addition, we test whether models are able to verify these solutions, and find that most models struggle. The dataset and code are available on the project website.

Our work presents a novel angle for evaluating language models' (LMs) mathematical abilities, by investigating whether they can discern skills and concepts enabled by math content. We contribute two datasets: one consisting of 385 fine-grained descriptions of K-12 math skills and concepts, or standards, from Achieve the Core (ATC), and another of 9.9K problems labeled with these standards (MathFish). Working with experienced teachers, we find that LMs struggle to tag and verify standards linked to problems, and instead predict labels that are close to ground truth, but differ in subtle ways. We also show that LMs often generate problems that do not fully align with standards described in prompts. Finally, we categorize problems in GSM8k using math standards, allowing us to better understand why some problems are more difficult to solve for models than others.

With infinitely many high-quality data points, infinite computational power, an infinitely large foundation model with a perfect training algorithm and guaranteed zero generalization error on the pretext task, can the model be used for everything? This question cannot be answered by the existing theory of representation, optimization or generalization, because the issues they mainly investigate are assumed to be nonexistent here. In this paper, we show that category theory provides powerful machinery to answer this question. We have proved three results. The first one limits the power of prompt-based learning, saying that the model can solve a downstream task with prompts if and only if the task is representable. The second one says fine tuning does not have this limit, as a foundation model with the minimum required power (up to symmetry) can theoretically solve downstream tasks for the category defined by pretext task, with fine tuning and enough resources. Our final result can be seen as a new type of generalization theorem, showing that the foundation model can generate unseen objects from the target category (e.g., images) using the structural information from the source category (e.g., texts). Along the way, we provide a categorical framework for supervised and self-supervised learning, which might be of independent interest.

Recent methods have demonstrated that Large Language Models (LLMs) can solve reasoning tasks better when they are encouraged to solve subtasks of the main task first. In this paper we devise a similar strategy that breaks down reasoning tasks into a problem decomposition phase and a problem solving phase and show that the strategy is able to outperform a single stage solution. Further, we hypothesize that the decomposition should be easier to distill into a smaller model compared to the problem solving because the latter requires large amounts of domain knowledge while the former only requires learning general problem solving strategies. We propose methods to distill these two capabilities and evaluate their impact on reasoning outcomes and inference cost. We find that we can distill the problem decomposition phase and at the same time achieve good generalization across tasks, datasets, and models. However, it is harder to distill the problem solving capability without losing performance and the resulting distilled model struggles with generalization. These results indicate that by using smaller, distilled problem decomposition models in combination with problem solving LLMs we can achieve reasoning with cost-efficient inference and local adaptation.

A critical component of a successful language generation pipeline is the decoding algorithm. However, the general principles that should guide the choice of decoding algorithm remain unclear. Previous works only compare decoding algorithms in narrow scenarios and their findings do not generalize across tasks. To better structure the discussion, we introduce a taxonomy that groups decoding strategies based on their implicit assumptions about how well the model's likelihood is aligned with the task-specific notion of utility. We argue that this taxonomy allows a broader view of the decoding problem and can lead to generalizable statements because it is grounded on the interplay between the decoding algorithms and the likelihood-utility misalignment. Specifically, by analyzing the correlation between the likelihood and the utility of predictions across a diverse set of tasks, we provide the first empirical evidence supporting the proposed taxonomy, and a set of principles to structure reasoning when choosing a decoding algorithm. Crucially, our analysis is the first one to relate likelihood-based decoding strategies with strategies that rely on external information such as value-guided methods and prompting, and covers the most diverse set of tasks up-to-date.

We advocate for a strong integration of Computational Creativity (CC) with research in large language and vision models (LLVMs) to address a key limitation of these models, i.e., creative problem solving. We present preliminary experiments showing how CC principles can be applied to address this limitation. Our goal is to foster discussions on creative problem solving in LLVMs and CC at prestigious ML venues. Our code is available at: https://github.com/lnairGT/creative-problem-solving-LLMs

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.

We introduce a new type of programming challenge called programming puzzles, as an objective and comprehensive evaluation of program synthesis, and release an open-source dataset of Python Programming Puzzles (P3). Each puzzle is defined by a short Python program f, and the goal is to find an input which makes f return True. The puzzles are objective in that each one is specified entirely by the source code of its verifier f, so evaluating f is all that is needed to test a candidate solution. They do not require an answer key or input/output examples, nor do they depend on natural language understanding. The dataset is comprehensive in that it spans problems of a range of difficulties and domains, ranging from trivial string manipulation problems, to classic programming puzzles (e.g., Tower of Hanoi), to interview/competitive-programming problems (e.g., dynamic programming), to longstanding open problems in algorithms and mathematics (e.g., factoring). We develop baseline enumerative program synthesis, GPT-3 and Codex solvers that are capable of solving puzzles -- even without access to any reference solutions -- by learning from their own past solutions. Codex performs best, solving up to 18% of 397 test problems with a single try and 80% of the problems with 1,000 tries per problem. In a small user study, we find a positive correlation between puzzle-solving performance and coding experience, and between the puzzle difficulty for humans and AI solvers. Therefore, further improvements on P3 could have a significant impact on many program synthesis areas.

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

Compositional generalization, the ability to recognize familiar parts in novel contexts, is a defining property of intelligent systems. Although modern models are trained on massive datasets, they still cover only a tiny fraction of the combinatorial space of possible inputs, raising the question of what structure representations must have to support generalization to unseen combinations. We formalize three desiderata for compositional generalization under standard training (divisibility, transferability, stability) and show they impose necessary geometric constraints: representations must decompose linearly into per-concept components, and these components must be orthogonal across concepts. This provides theoretical grounding for the Linear Representation Hypothesis: the linear structure widely observed in neural representations is a necessary consequence of compositional generalization. We further derive dimension bounds linking the number of composable concepts to the embedding geometry. Empirically, we evaluate these predictions across modern vision models (CLIP, SigLIP, DINO) and find that representations exhibit partial linear factorization with low-rank, near-orthogonal per-concept factors, and that the degree of this structure correlates with compositional generalization on unseen combinations. As models continue to scale, these conditions predict the representational geometry they may converge to. Code is available at https://github.com/oshapio/necessary-compositionality.

Mathematical reasoning serves as a cornerstone for assessing the fundamental cognitive capabilities of human intelligence. In recent times, there has been a notable surge in the development of Large Language Models (LLMs) geared towards the automated resolution of mathematical problems. However, the landscape of mathematical problem types is vast and varied, with LLM-oriented techniques undergoing evaluation across diverse datasets and settings. This diversity makes it challenging to discern the true advancements and obstacles within this burgeoning field. This survey endeavors to address four pivotal dimensions: i) a comprehensive exploration of the various mathematical problems and their corresponding datasets that have been investigated; ii) an examination of the spectrum of LLM-oriented techniques that have been proposed for mathematical problem-solving; iii) an overview of factors and concerns affecting LLMs in solving math; and iv) an elucidation of the persisting challenges within this domain. To the best of our knowledge, this survey stands as one of the first extensive examinations of the landscape of LLMs in the realm of mathematics, providing a holistic perspective on the current state, accomplishments, and future challenges in this rapidly evolving field.

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.

Optimization problems are prevalent across various scenarios. Formulating and then solving optimization problems described by natural language often requires highly specialized human expertise, which could block the widespread application of optimization-based decision making. To automate problem formulation and solving, leveraging large language models (LLMs) has emerged as a potential way. However, this kind of approach suffers from the issue of optimization generalization. Namely, the accuracy of most current LLM-based methods and the generality of optimization problem types that they can model are still limited. In this paper, we propose a unified learning-based framework called LLMOPT to boost optimization generalization. Starting from the natural language descriptions of optimization problems and a pre-trained LLM, LLMOPT constructs the introduced five-element formulation as a universal model for learning to define diverse optimization problem types. Then, LLMOPT employs the multi-instruction tuning to enhance both problem formalization and solver code generation accuracy and generality. After that, to prevent hallucinations in LLMs, such as sacrificing solving accuracy to avoid execution errors, the model alignment and self-correction mechanism are adopted in LLMOPT. We evaluate the optimization generalization ability of LLMOPT and compared methods across six real-world datasets covering roughly 20 fields such as health, environment, energy and manufacturing, etc. Extensive experiment results show that LLMOPT is able to model various optimization problem types such as linear/nonlinear programming, mixed integer programming, and combinatorial optimization, and achieves a notable 11.08% average solving accuracy improvement compared with the state-of-the-art methods. The code is available at https://github.com/caigaojiang/LLMOPT.

Following the recent achievement of gold-medal performance on the IMO by frontier LLMs, the community is searching for the next meaningful and challenging target for measuring LLM reasoning. Whereas olympiad-style problems measure step-by-step reasoning alone, research-level problems use such reasoning to advance the frontier of mathematical knowledge itself, emerging as a compelling alternative. Yet research-level math benchmarks remain scarce because such problems are difficult to source (e.g., Riemann Bench and FrontierMath-Tier 4 contain 25 and 50 problems, respectively). To support reliable evaluation of next-generation frontier models, we introduce Soohak, a 439-problem benchmark newly authored from scratch by 64 mathematicians. Soohak comprises two subsets. On the Challenge subset, frontier models including Gemini-3-Pro, GPT-5, and Claude-Opus-4.5 reach 30.4%, 26.4%, and 10.4% respectively, leaving substantial headroom, while leading open-weight models such as Qwen3-235B, GPT-OSS-120B, and Kimi-2.5 remain below 15%. Notably, beyond standard problem solving, Soohak introduces a refusal subset that probes a capability intrinsic to research mathematics: recognizing ill-posed problems and pausing rather than producing confident but unjustified answers. On this subset, no model exceeds 50%, identifying refusal as a new optimization target that current models do not directly address. To prevent contamination, the dataset will be publicly released in late 2026, with model evaluations available upon request in the interim.

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.

Chain-of-thought prompting has demonstrated remarkable performance on various natural language reasoning tasks. However, it tends to perform poorly on tasks which requires solving problems harder than the exemplars shown in the prompts. To overcome this challenge of easy-to-hard generalization, we propose a novel prompting strategy, least-to-most prompting. The key idea in this strategy is to break down a complex problem into a series of simpler subproblems and then solve them in sequence. Solving each subproblem is facilitated by the answers to previously solved subproblems. Our experimental results on tasks related to symbolic manipulation, compositional generalization, and math reasoning reveal that least-to-most prompting is capable of generalizing to more difficult problems than those seen in the prompts. A notable finding is that when the GPT-3 code-davinci-002 model is used with least-to-most prompting, it can solve the compositional generalization benchmark SCAN in any split (including length split) with an accuracy of at least 99% using just 14 exemplars, compared to only 16% accuracy with chain-of-thought prompting. This is particularly noteworthy because neural-symbolic models in the literature that specialize in solving SCAN are trained on the entire training set containing over 15,000 examples. We have included prompts for all the tasks in the Appendix.

We develop information geometric techniques to understand the representations learned by deep networks when they are trained on different tasks using supervised, meta-, semi-supervised and contrastive learning. We shed light on the following phenomena that relate to the structure of the space of tasks: (1) the manifold of probabilistic models trained on different tasks using different representation learning methods is effectively low-dimensional; (2) supervised learning on one task results in a surprising amount of progress even on seemingly dissimilar tasks; progress on other tasks is larger if the training task has diverse classes; (3) the structure of the space of tasks indicated by our analysis is consistent with parts of the Wordnet phylogenetic tree; (4) episodic meta-learning algorithms and supervised learning traverse different trajectories during training but they fit similar models eventually; (5) contrastive and semi-supervised learning methods traverse trajectories similar to those of supervised learning. We use classification tasks constructed from the CIFAR-10 and Imagenet datasets to study these phenomena.

Solving math story problems is a complex task for students and NLP models alike, requiring them to understand the world as described in the story and reason over it to compute an answer. Recent years have seen impressive performance on automatically solving these problems with large pre-trained language models and innovative techniques to prompt them. However, it remains unclear if these models possess accurate representations of mathematical concepts. This leads to lack of interpretability and trustworthiness which impedes their usefulness in various applications. In this paper, we consolidate previous work on categorizing and representing math story problems and develop MathWorld, which is a graph-based semantic formalism specific for the domain of math story problems. With MathWorld, we can assign world models to math story problems which represent the situations and actions introduced in the text and their mathematical relationships. We combine math story problems from several existing datasets and annotate a corpus of 1,019 problems and 3,204 logical forms with MathWorld. Using this data, we demonstrate the following use cases of MathWorld: (1) prompting language models with synthetically generated question-answer pairs to probe their reasoning and world modeling abilities, and (2) generating new problems by using the world models as a design space.

Large Language Models (LLM)-based systems, i.e. interconnected elements that include an LLM as a central component (e.g., conversational agents), are typically monolithic static architectures that rely on a single LLM for all user queries. However, they often require different preprocessing strategies, levels of reasoning, or knowledge. Generalist LLMs (i.e. GPT-4), trained on very large multi-topic corpora, can perform well in a variety of tasks. However, they require significant financial, energy, and hardware resources that may not be justified for basic tasks. This implies potentially investing in unnecessary costs for a given query. To overcome this problem, a routing mechanism routes user queries to the most suitable components, such as smaller LLMs or experts in specific topics. This approach may improve response quality while minimising costs. Routing can be expanded to other components of the conversational agent architecture, such as the selection of optimal embedding strategies. This paper explores key considerations for integrating routing into LLM-based systems, focusing on resource management, cost definition, and strategy selection. Our main contributions include a formalisation of the problem, a novel taxonomy of existing approaches emphasising relevance and resource efficiency, and a comparative analysis of these strategies in relation to industry practices. Finally, we identify critical challenges and directions for future research.

Large language models (LLMs) have demonstrated impressive performance on reasoning tasks, including mathematical reasoning. However, the current evaluation mostly focuses on carefully constructed benchmarks and neglects the consideration of real-world reasoning problems that present missing or contradictory conditions, known as ill-defined problems. To further study this problem, we develop a largescale benchmark called Problems with Missing and Contradictory conditions ( PMC) containing over 5,000 validated ill-defined mathematical problems. Our preliminary experiments through PMC reveal two challenges about existing methods: (1) traditional methods exhibit a trade-off between solving accuracy and rejection capabilities, and (2) formal methods struggle with modeling complex problems. To address these challenges, We develop Variable-Constraint Search (VCSEARCH), a trainingfree framework that leverages formal language to detect ill-defined problems, where a variableconstraint pair search strategy is incorporated to improve the modeling capability of formal language. Extensive experiments demonstrate that VCSEARCH improves the accuracy of identifying unsolvable problems by at least 12% across different LLMs, thus achieving stronger robust mathematical reasoning ability.

Large language models (LLMs) have demonstrated exceptional performance in text generation within current NLP research. However, the lack of factual accuracy is still a dark cloud hanging over the LLM skyscraper. Structural knowledge prompting (SKP) is a prominent paradigm to integrate external knowledge into LLMs by incorporating structural representations, achieving state-of-the-art results in many knowledge-intensive tasks. However, existing methods often focus on specific problems, lacking a comprehensive exploration of the generalization and capability boundaries of SKP. This paper aims to evaluate and rethink the generalization capability of the SKP paradigm from four perspectives including Granularity, Transferability, Scalability, and Universality. To provide a thorough evaluation, we introduce a novel multi-granular, multi-level benchmark called SUBARU, consisting of 9 different tasks with varying levels of granularity and difficulty.

Recent large-scale language models (LLMs) with long Chain-of-Thought reasoning-such as DeepSeek-R1-have achieved impressive results on Olympiad-level mathematics benchmarks. However, they often rely on a narrow set of strategies and struggle with problems that require a novel way of thinking. To systematically investigate these limitations, we introduce OMEGA-Out-of-distribution Math Problems Evaluation with 3 Generalization Axes-a controlled yet diverse benchmark designed to evaluate three axes of out-of-distribution generalization, inspired by Boden's typology of creativity: (1) Exploratory-applying known problem solving skills to more complex instances within the same problem domain; (2) Compositional-combining distinct reasoning skills, previously learned in isolation, to solve novel problems that require integrating these skills in new and coherent ways; and (3) Transformative-adopting novel, often unconventional strategies by moving beyond familiar approaches to solve problems more effectively. OMEGA consists of programmatically generated training-test pairs derived from templated problem generators across geometry, number theory, algebra, combinatorics, logic, and puzzles, with solutions verified using symbolic, numerical, or graphical methods. We evaluate frontier (or top-tier) LLMs and observe sharp performance degradation as problem complexity increases. Moreover, we fine-tune the Qwen-series models across all generalization settings and observe notable improvements in exploratory generalization, while compositional generalization remains limited and transformative reasoning shows little to no improvement. By isolating and quantifying these fine-grained failures, OMEGA lays the groundwork for advancing LLMs toward genuine mathematical creativity beyond mechanical proficiency.

Mathematical reasoning remains challenging for LLMs due to complex logic and the need for precise computation. Existing methods enhance LLM reasoning by synthesizing datasets through problem rephrasing, but face issues with generation quality and problem complexity. To address this, we propose to extract structural information with generated problem-solving code from mathematical reasoning and guide data generation with structured solutions. Applied to MATH and GSM8K, our approach produces 39K problems with labeled intermediate steps and a 6.1K-problem benchmark of higher difficulty. Results on our benchmark show that model performance declines as reasoning length increases. Additionally, we conducted fine-tuning experiments using the proposed training data on a range of LLMs, and the results validate the effectiveness of our dataset. We hope the proposed method and dataset will contribute to future research in enhancing LLM reasoning capabilities. Our code and data are available at https://github.com/OpenCausaLab/StructuralGeneration.

Large Language Models (LLMs) have revolutionized natural language processing and hold immense potential for advancing Artificial Intelligence. However, the core architecture of most mainstream LLMs -- the Transformer -- has inherent limitations in computational depth, rendering them theoretically incapable of solving many reasoning tasks that demand increasingly deep computations. Chain of Thought (CoT) prompting has emerged as a technique to address these architectural limitations, as evidenced by several theoretical studies. It offers a promising approach to solving complex reasoning tasks that were previously beyond the capabilities of these models. Despite its successes, CoT and its variants (such as Tree of Thought, Graph of Thought, etc.) rely on a "one-prompt-for-all" approach, using a single prompt structure (e.g., "think step by step") for a wide range of tasks -- from counting and sorting to solving mathematical and algorithmic problems. This approach poses significant challenges for models to generate the correct reasoning steps, as the model must navigate through a vast prompt template space to find the appropriate template for each task. In this work, we build upon previous theoretical analyses of CoT to demonstrate how the one-prompt-for-all approach can negatively affect the computability of LLMs. We partition the solution search space into two: the prompt space and the answer space. Our findings show that task-specific supervision is essential for navigating the prompt space accurately and achieving optimal performance. Through experiments with state-of-the-art LLMs, we reveal a gap in reasoning performance when supervision is applied versus when it is not.

Large language models (LLMs) can reliably distinguish grammatical from ungrammatical sentences, but how grammatical knowledge is represented within the models remains an open question. We investigate whether different syntactic phenomena recruit shared or distinct components in LLMs. Using a functional localization approach inspired by cognitive neuroscience, we identify the LLM units most responsive to 67 English syntactic phenomena in seven open-weight models. These units are consistently recruited across sentences containing the phenomena and causally support the models' syntactic performance. Critically, different types of syntactic agreement (e.g., subject-verb, anaphor, determiner-noun) recruit overlapping sets of units, suggesting that agreement constitutes a meaningful functional category for LLMs. This pattern holds in English, Russian, and Chinese; and further, in a cross-lingual analysis of 57 diverse languages, structurally more similar languages share more units for subject-verb agreement. Taken together, these findings reveal that syntactic agreement-a critical marker of syntactic dependencies-constitutes a meaningful category within LLMs' representational spaces.

Graphs are a fundamental data structure for representing relationships in real-world scenarios. With the success of Large Language Models (LLMs) across various natural language processing (NLP) tasks, there has been growing interest in integrating LLMs for graph learning. However, applying LLMs to graph-related tasks poses significant challenges, as these models are not inherently designed to capture the complex structural information present in graphs. Existing approaches address this challenge through two strategies: the chain of tasks approach, which uses Graph Neural Networks (GNNs) to encode the graph structure so that LLMs are relieved from understanding spatial positions; and Graph-to-Text Conversion, which translates graph structures into semantic text representations that LLMs can process. Despite their progress, these methods often struggle to fully preserve the topological information of graphs or require extensive computational resources, limiting their practical applicability. In this work, we introduce Node Tokenizer for Large Language Models (NT-LLM), a novel framework that efficiently encodes graph structures by selecting key nodes as anchors and representing each node based on its relative distance to these anchors. This position-anchored encoding effectively captures the graph topology, enabling enhanced reasoning capabilities in LLMs over graph data. Additionally, we implement a task-specific tuning procedure to further improve structural understanding within LLMs. Through extensive empirical evaluations, NT-LLM demonstrates significant performance improvements across a variety of graph-related tasks.

Recent years have seen a paradigm shift in NLP towards using pretrained language models ({PLM}) for a wide range of tasks. However, there are many difficult design decisions to represent structures (e.g. tagged text, coreference chains) in a way such that they can be captured by PLMs. Prior work on structured prediction with PLMs typically flattens the structured output into a sequence, which limits the quality of structural information being learned and leads to inferior performance compared to classic discriminative models. In this work, we describe an approach to model structures as sequences of actions in an autoregressive manner with PLMs, allowing in-structure dependencies to be learned without any loss. Our approach achieves the new state-of-the-art on all the structured prediction tasks we looked at, namely, named entity recognition, end-to-end relation extraction, and coreference resolution.

An ability that underlies human syntactic knowledge is determining which words can appear in the similar structures (i.e. grouping words by their syntactic categories). These groupings enable humans to combine structures in order to communicate complex meanings. A foundational question is how do children acquire this ability underlying syntactic knowledge. In exploring this process, we will review various engineering approaches whose goal is similar to that of a child's -- without prior syntactic knowledge, correctly identify the parts of speech (POS) of the words in a sample of text. In reviewing these unsupervised tagging efforts, we will discuss common themes that support the advances in the models and their relevance for language acquisition. For example, we discuss how each model judges success (evaluation metrics), the "additional information" that constrains the POS learning (such as orthographic information), and the context used to determine POS (only previous word, words before and after the target, etc). The identified themes pave the way for future investigations into the cognitive processes that underpin the acquisition of syntactic categories and provide a useful layout of current state of the art unsupervised POS tagging models.

Does structure in representations imply structure in computation? We study how Llama-3.1-8B reasons over cyclic concepts (e.g., "what month is six months after August?"). Even though Llama-3.1-8B's representations for these concepts are circularly structured, we find that instead of directly computing modular addition in the period of the cyclic concept (e.g., 12 for months), the model re-uses a generic addition mechanism across tasks that operates independently of concept-specific geometry. First, it computes the sum of its two inputs using base-10 addition (six + August=14). Then, it maps this sum back to cyclic concept space (14->February). We show that Llama-3.1-8B uses task-agnostic Fourier features to compute these sums--in fact, these features have periods that respect standard base-10 addition, e.g., 2, 5, and 10, rather than the cyclic concept period (e.g., 12 for months). Furthermore, we identify a sparse set of 28 MLP neurons re-used across all tasks (approximately 0.2% of the MLP at layer 18) that can be partitioned into disjoint clusters, each computing the sum for a Fourier feature with a different period. Our work highlights how an interplay between causal abstraction and feature geometry can deepen our mechanistic understanding of LMs.

We consider concept generalization at a large scale in the diverse and natural visual spectrum. Established computational modes (i.e., rule-based or similarity-based) are primarily studied isolated and focus on confined and abstract problem spaces. In this work, we study these two modes when the problem space scales up, and the complexity of concepts becomes diverse. Specifically, at the representational level, we seek to answer how the complexity varies when a visual concept is mapped to the representation space. Prior psychology literature has shown that two types of complexities (i.e., subjective complexity and visual complexity) (Griffiths and Tenenbaum, 2003) build an inverted-U relation (Donderi, 2006; Sun and Firestone, 2021). Leveraging Representativeness of Attribute (RoA), we computationally confirm the following observation: Models use attributes with high RoA to describe visual concepts, and the description length falls in an inverted-U relation with the increment in visual complexity. At the computational level, we aim to answer how the complexity of representation affects the shift between the rule- and similarity-based generalization. We hypothesize that category-conditioned visual modeling estimates the co-occurrence frequency between visual and categorical attributes, thus potentially serving as the prior for the natural visual world. Experimental results show that representations with relatively high subjective complexity outperform those with relatively low subjective complexity in the rule-based generalization, while the trend is the opposite in the similarity-based generalization.

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.

Large Language Models (LLMs) have achieved remarkable success in reasoning tasks with the development of prompting methods. However, existing prompting approaches cannot reuse insights of solving similar problems and suffer from accumulated errors in multi-step reasoning, since they prompt LLMs to reason from scratch. To address these issues, we propose \textit{Thought Propagation (TP)}, which explores the analogous problems and leverages their solutions to enhance the complex reasoning ability of LLMs. These analogous problems are related to the input one, with reusable solutions and problem-solving strategies. Thus, it is promising to propagate insights of solving previous analogous problems to inspire new problem-solving. To achieve this, TP first prompts LLMs to propose and solve a set of analogous problems that are related to the input one. Then, TP reuses the results of analogous problems to directly yield a new solution or derive a knowledge-intensive plan for execution to amend the initial solution obtained from scratch. TP is compatible with existing prompting approaches, allowing plug-and-play generalization and enhancement in a wide range of tasks without much labor in task-specific prompt engineering. Experiments across three challenging tasks demonstrate TP enjoys a substantial improvement over the baselines by an average of 12\% absolute increase in finding the optimal solutions in Shortest-path Reasoning, 13\% improvement of human preference in Creative Writing, and 15\% enhancement in the task completion rate of LLM-Agent Planning.

Abstract grammatical knowledge - of parts of speech and grammatical patterns - is key to the capacity for linguistic generalization in humans. But how abstract is grammatical knowledge in large language models? In the human literature, compelling evidence for grammatical abstraction comes from structural priming. A sentence that shares the same grammatical structure as a preceding sentence is processed and produced more readily. Because confounds exist when using stimuli in a single language, evidence of abstraction is even more compelling from crosslingual structural priming, where use of a syntactic structure in one language primes an analogous structure in another language. We measure crosslingual structural priming in large language models, comparing model behavior to human experimental results from eight crosslingual experiments covering six languages, and four monolingual structural priming experiments in three non-English languages. We find evidence for abstract monolingual and crosslingual grammatical representations in the models that function similarly to those found in humans. These results demonstrate that grammatical representations in multilingual language models are not only similar across languages, but they can causally influence text produced in different languages.

Recent work has demonstrated that semantics specified by pretraining data influence how representations of different concepts are organized in a large language model (LLM). However, given the open-ended nature of LLMs, e.g., their ability to in-context learn, we can ask whether models alter these pretraining semantics to adopt alternative, context-specified ones. Specifically, if we provide in-context exemplars wherein a concept plays a different role than what the pretraining data suggests, do models reorganize their representations in accordance with these novel semantics? To answer this question, we take inspiration from the theory of conceptual role semantics and define a toy "graph tracing" task wherein the nodes of the graph are referenced via concepts seen during training (e.g., apple, bird, etc.) and the connectivity of the graph is defined via some predefined structure (e.g., a square grid). Given exemplars that indicate traces of random walks on the graph, we analyze intermediate representations of the model and find that as the amount of context is scaled, there is a sudden re-organization from pretrained semantic representations to in-context representations aligned with the graph structure. Further, we find that when reference concepts have correlations in their semantics (e.g., Monday, Tuesday, etc.), the context-specified graph structure is still present in the representations, but is unable to dominate the pretrained structure. To explain these results, we analogize our task to energy minimization for a predefined graph topology, providing evidence towards an implicit optimization process to infer context-specified semantics. Overall, our findings indicate scaling context-size can flexibly re-organize model representations, possibly unlocking novel capabilities.

Many complex tasks can be decomposed into simpler, independent parts. Discovering such underlying compositional structure has the potential to enable compositional generalization. Despite progress, our most powerful systems struggle to compose flexibly. It therefore seems natural to make models more modular to help capture the compositional nature of many tasks. However, it is unclear under which circumstances modular systems can discover hidden compositional structure. To shed light on this question, we study a teacher-student setting with a modular teacher where we have full control over the composition of ground truth modules. This allows us to relate the problem of compositional generalization to that of identification of the underlying modules. In particular we study modularity in hypernetworks representing a general class of multiplicative interactions. We show theoretically that identification up to linear transformation purely from demonstrations is possible without having to learn an exponential number of module combinations. We further demonstrate empirically that under the theoretically identified conditions, meta-learning from finite data can discover modular policies that generalize compositionally in a number of complex environments.

We have recently witnessed a number of impressive results on hard mathematical reasoning problems with language models. At the same time, the robustness of these models has also been called into question; recent works have shown that models can rely on shallow patterns in the problem description when generating a solution. Building on the idea of behavioral testing, we propose a novel framework, which pins down the causal effect of various factors in the input, e.g., the surface form of the problem text, the operands, and math operators on the output solution. By grounding the behavioral analysis in a causal graph describing an intuitive reasoning process, we study the behavior of language models in terms of robustness and sensitivity to direct interventions in the input space. We apply our framework on a test bed of math word problems. Our analysis shows that robustness does not appear to continuously improve as a function of size, but the GPT-3 Davinci models (175B) achieve a dramatic improvement in both robustness and sensitivity compared to all other GPT variants.

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.

When reading long-form text, human cognition is complex and structurized. While large language models (LLMs) process input contexts through a causal and sequential perspective, this approach can potentially limit their ability to handle intricate and complex inputs effectively. To enhance LLM's cognition capability, this paper presents a novel concept of context structurization. Specifically, we transform the plain, unordered contextual sentences into well-ordered and hierarchically structurized elements. By doing so, LLMs can better grasp intricate and extended contexts through precise attention and information-seeking along the organized structures. Extensive evaluations are conducted across various model architectures and sizes (including a series of auto-regressive LLMs as well as BERT-like masking models) on a diverse set of NLP tasks (e.g., context-based question-answering, exhaustive hallucination evaluation, and passage-level dense retrieval). Empirical results show consistent and significant performance gains afforded by a single-round structurization. In particular, we boost the open-sourced LLaMA2-70B model to achieve comparable performance against GPT-3.5-Turbo as the hallucination evaluator. Besides, we show the feasibility of distilling advanced LLMs' language processing abilities to a smaller yet effective StruXGPT-7B to execute structurization, addressing the practicality of our approach. Code is available at https://github.com/alibaba/struxgpt.

Machine learning methods can be a valuable aid in the scientific process, but they need to face challenging settings where data come from inhomogeneous experimental conditions. Recent meta-learning methods have made significant progress in multi-task learning, but they rely on black-box neural networks, resulting in high computational costs and limited interpretability. Leveraging the structure of the learning problem, we argue that multi-environment generalization can be achieved using a simpler learning model, with an affine structure with respect to the learning task. Crucially, we prove that this architecture can identify the physical parameters of the system, enabling interpreable learning. We demonstrate the competitive generalization performance and the low computational cost of our method by comparing it to state-of-the-art algorithms on physical systems, ranging from toy models to complex, non-analytical systems. The interpretability of our method is illustrated with original applications to physical-parameter-induced adaptation and to adaptive control.

Among the most important properties of algorithms investigated in computer science are soundness, completeness, and complexity. These properties, however, are rarely analyzed for the vast collection of recently proposed methods for planning with large language models. In this work, we alleviate this gap. We analyse these properties of using LLMs for planning and highlight that recent trends abandon both soundness and completeness for the sake of inefficiency. We propose a significantly more efficient approach that can, at the same time, maintain both soundness and completeness. We exemplify on four representative search problems, comparing to the LLM-based solutions from the literature that attempt to solve these problems. We show that by using LLMs to produce the code for the search components we can solve the entire datasets with 100\% accuracy with only a few calls to the LLM. We argue for a responsible use of compute resources; urging research community to investigate sound and complete LLM-based approaches that uphold efficiency.

The ability of language models to learn a task from a few examples in context has generated substantial interest. Here, we provide a perspective that situates this type of supervised few-shot learning within a much broader spectrum of meta-learned in-context learning. Indeed, we suggest that any distribution of sequences in which context non-trivially decreases loss on subsequent predictions can be interpreted as eliciting a kind of in-context learning. We suggest that this perspective helps to unify the broad set of in-context abilities that language models exhibit x2014 such as adapting to tasks from instructions or role play, or extrapolating time series. This perspective also sheds light on potential roots of in-context learning in lower-level processing of linguistic dependencies (e.g. coreference or parallel structures). Finally, taking this perspective highlights the importance of generalization, which we suggest can be studied along several dimensions: not only the ability to learn something novel, but also flexibility in learning from different presentations, and in applying what is learned. We discuss broader connections to past literature in meta-learning and goal-conditioned agents, and other perspectives on learning and adaptation. We close by suggesting that research on in-context learning should consider this broader spectrum of in-context capabilities and types of generalization.

Large, pre-trained models are problematic to use in resource constrained applications. Fortunately, task-aware structured pruning methods offer a solution. These approaches reduce model size by dropping structural units like layers and attention heads in a manner that takes into account the end-task. However, these pruning algorithms require more task-specific data than is typically available. We propose a framework which combines structured pruning with transfer learning to reduce the need for task-specific data. Our empirical results answer questions such as: How should the two tasks be coupled? What parameters should be transferred? And, when during training should transfer learning be introduced? Leveraging these insights, we demonstrate that our framework results in pruned models with improved generalization over strong baselines.

While recent work has convincingly showed that sequence-to-sequence models struggle to generalize to new compositions (termed compositional generalization), little is known on what makes compositional generalization hard on a particular test instance. In this work, we investigate what are the factors that make generalization to certain test instances challenging. We first substantiate that indeed some examples are more difficult than others by showing that different models consistently fail or succeed on the same test instances. Then, we propose a criterion for the difficulty of an example: a test instance is hard if it contains a local structure that was not observed at training time. We formulate a simple decision rule based on this criterion and empirically show it predicts instance-level generalization well across 5 different semantic parsing datasets, substantially better than alternative decision rules. Last, we show local structures can be leveraged for creating difficult adversarial compositional splits and also to improve compositional generalization under limited training budgets by strategically selecting examples for the training set.

The surprising ability of Large Language Models (LLMs) to perform well on complex reasoning with only few-shot chain-of-thought prompts is believed to emerge only in very large-scale models (100+ billion parameters). We show that such abilities can, in fact, be distilled down from GPT-3.5 (ge 175B) to T5 variants (le 11B). We propose model specialization, to specialize the model's ability towards a target task. The hypothesis is that large models (commonly viewed as larger than 100B) have strong modeling power, but are spread on a large spectrum of tasks. Small models (commonly viewed as smaller than 10B) have limited model capacity, but if we concentrate their capacity on a specific target task, the model can achieve a decent improved performance. We use multi-step math reasoning as our testbed because it is a very typical emergent ability. We show two important aspects of model abilities: (1). there exists a very complex balance/ tradeoff between language models' multi-dimensional abilities; (2). by paying the price of decreased generic ability, we can clearly lift up the scaling curve of models smaller than 10B towards a specialized multi-step math reasoning ability. We further give comprehensive discussions about important design choices for better generalization, including the tuning data format, the start model checkpoint, and a new model selection method. We hope our practice and discoveries can serve as an important attempt towards specialized smaller models in the new research paradigm set by LLMs.

We employ new tools from mechanistic interpretability in order to ask whether the internal structure of large language models (LLMs) shows correspondence to the linguistic structures which underlie the languages on which they are trained. In particular, we ask (1) when two languages employ the same morphosyntactic processes, do LLMs handle them using shared internal circuitry? and (2) when two languages require different morphosyntactic processes, do LLMs handle them using different internal circuitry? Using English and Chinese multilingual and monolingual models, we analyze the internal circuitry involved in two tasks. We find evidence that models employ the same circuit to handle the same syntactic process independently of the language in which it occurs, and that this is the case even for monolingual models trained completely independently. Moreover, we show that multilingual models employ language-specific components (attention heads and feed-forward networks) when needed to handle linguistic processes (e.g., morphological marking) that only exist in some languages. Together, our results provide new insights into how LLMs trade off between exploiting common structures and preserving linguistic differences when tasked with modeling multiple languages simultaneously.

Compositional understanding is crucial for human intelligence, yet it remains unclear whether contemporary vision models exhibit it. The dominant machine learning paradigm is built on the premise that scaling data and model sizes will improve out-of-distribution performance, including compositional generalization. We test this premise through controlled experiments that systematically vary data scale, concept diversity, and combination coverage. We find that compositional generalization is driven by data diversity, not mere data scale. Increased combinatorial coverage forces models to discover a linearly factored representational structure, where concepts decompose into additive components. We prove this structure is key to efficiency, enabling perfect generalization from few observed combinations. Evaluating pretrained models (DINO, CLIP), we find above-random yet imperfect performance, suggesting partial presence of this structure. Our work motivates stronger emphasis on constructing diverse datasets for compositional generalization, and considering the importance of representational structure that enables efficient compositional learning. Code available at https://github.com/oshapio/visual-compositional-generalization.

This paper investigates the mathematical reasoning capabilities of large language models (LLMs) using 50 newly constructed high-school-level word problems. Unlike prior studies that focus solely on answer correctness, we rigorously analyze both final answers and solution steps to identify reasoning failures. Evaluating eight state-of-the-art models - including Mixtral, Llama, Gemini, GPT-4o, and OpenAI's o1 variants - we find that while newer models (e.g., o3-mini, deepseek-r1) achieve higher accuracy, all models exhibit errors in spatial reasoning, strategic planning, and arithmetic, sometimes producing correct answers through flawed logic. Common failure modes include unwarranted assumptions, over-reliance on numerical patterns, and difficulty translating physical intuition into mathematical steps. Manual analysis reveals that models struggle with problems requiring multi-step deduction or real-world knowledge, despite possessing broad mathematical knowledge. Our results underscore the importance of evaluating reasoning processes, not just answers, and caution against overestimating LLMs' problem-solving proficiency. The study highlights persistent gaps in LLMs' generalization abilities, emphasizing the need for targeted improvements in structured reasoning and constraint handling.

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

Several studies have explored the mechanisms of large language models (LLMs) in coding tasks, but most have focused on programming languages (PLs) in a monolingual setting. In this paper, we investigate the relationship between multiple PLs and English in the concept space of LLMs. We perform a few-shot translation task on 21 PL pairs using two Llama-based models. By decoding the embeddings of intermediate layers during this task, we observe that the concept space is closer to English (including PL keywords) and assigns high probabilities to English tokens in the second half of the intermediate layers. We analyze neuron activations for 11 PLs and English, finding that while language-specific neurons are primarily concentrated in the bottom layers, those exclusive to each PL tend to appear in the top layers. For PLs that are highly aligned with multiple other PLs, identifying language-specific neurons is not feasible. These PLs also tend to have a larger keyword set than other PLs and are closer to the model's concept space regardless of the input/output PL in the translation task. Our findings provide insights into how LLMs internally represent PLs, revealing structural patterns in the model's concept space. Code is available at https://github.com/cisnlp/code-specific-neurons.

In large language models (LLMs), certain neurons can store distinct pieces of knowledge learned during pretraining. While knowledge typically appears as a combination of relations and entities, it remains unclear whether some neurons focus on a relation itself -- independent of any entity. We hypothesize such neurons detect a relation in the input text and guide generation involving such a relation. To investigate this, we study the Llama-2 family on a chosen set of relations with a statistics-based method. Our experiments demonstrate the existence of relation-specific neurons. We measure the effect of selectively deactivating candidate neurons specific to relation r on the LLM's ability to handle (1) facts whose relation is r and (2) facts whose relation is a different relation r' neq r. With respect to their capacity for encoding relation information, we give evidence for the following three properties of relation-specific neurons. (i) Neuron cumulativity. The neurons for r present a cumulative effect so that deactivating a larger portion of them results in the degradation of more facts in r. (ii) Neuron versatility. Neurons can be shared across multiple closely related as well as less related relations. Some relation neurons transfer across languages. (iii) Neuron interference. Deactivating neurons specific to one relation can improve LLM generation performance for facts of other relations. We will make our code publicly available at https://github.com/cisnlp/relation-specific-neurons.

The frontier of mathematics is defined by problems whose solutions are not yet known, yet it remains unclear whether language models can meaningfully engage with such problems without human intervention. A major obstacle is the lack of large-scale research-level math datasets. To this end, we introduce ResearchMath-14k, a set of 14{,}056 problems curated from academic sources via a multi-agent pipeline, making it the largest collection of research-level mathematical problems to date. We further generate ResearchMath-Reasoning, 220K teacher trajectories from two open models, where we observe recurring avoidance behaviors such as non-attempts and fabricated references. Interestingly, across eight open-weight models, newer generations produce 5.6times more references and 5.0times more fake references per trace. After agentic filtering of ResearchMath-Reasoning, fine-tuning Qwen3 models from 4B to 30B parameters improves over base models by 9.2 points on average. This shows that filtered open-problem attempts can provide useful supervision even without fully correct reasoning traces. We make ResearchMath-14k publicly available for future works on research-level mathematical reasoning.

Attention mechanisms are critical to the success of large language models (LLMs), driving significant advancements in multiple fields. However, for graph-structured data, which requires emphasis on topological connections, they fall short compared to message-passing mechanisms on fixed links, such as those employed by Graph Neural Networks (GNNs). This raises a question: ``Does attention fail for graphs in natural language settings?'' Motivated by these observations, we embarked on an empirical study from the perspective of attention mechanisms to explore how LLMs process graph-structured data. The goal is to gain deeper insights into the attention behavior of LLMs over graph structures. We uncovered unique phenomena regarding how LLMs apply attention to graph-structured data and analyzed these findings to improve the modeling of such data by LLMs. The primary findings of our research are: 1) While LLMs can recognize graph data and capture text-node interactions, they struggle to model inter-node relationships within graph structures due to inherent architectural constraints. 2) The attention distribution of LLMs across graph nodes does not align with ideal structural patterns, indicating a failure to adapt to graph topology nuances. 3) Neither fully connected attention nor fixed connectivity is optimal; each has specific limitations in its application scenarios. Instead, intermediate-state attention windows improve LLM training performance and seamlessly transition to fully connected windows during inference. Source code: https://github.com/millioniron/LLM_exploration{LLM4Exploration}

We introduce a large-scale dataset of math word problems and an interpretable neural math problem solver that learns to map problems to operation programs. Due to annotation challenges, current datasets in this domain have been either relatively small in scale or did not offer precise operational annotations over diverse problem types. We introduce a new representation language to model precise operation programs corresponding to each math problem that aim to improve both the performance and the interpretability of the learned models. Using this representation language, our new dataset, MathQA, significantly enhances the AQuA dataset with fully-specified operational programs. We additionally introduce a neural sequence-to-program model enhanced with automatic problem categorization. Our experiments show improvements over competitive baselines in our MathQA as well as the AQuA dataset. The results are still significantly lower than human performance indicating that the dataset poses new challenges for future research. Our dataset is available at: https://math-qa.github.io/math-QA/

We introduce a benchmark to evaluate the capability of AI to solve problems in theoretical physics, focusing on high-energy theory and cosmology. The first iteration of our benchmark consists of 57 problems of varying difficulty, from undergraduate to research level. These problems are novel in the sense that they do not come from public problem collections. We evaluate our data set on various open and closed language models, including o3-mini, o1, DeepSeek-R1, GPT-4o and versions of Llama and Qwen. While we find impressive progress in model performance with the most recent models, our research-level difficulty problems are mostly unsolved. We address challenges of auto-verifiability and grading, and discuss common failure modes. While currently state-of-the art models are still of limited use for researchers, our results show that AI assisted theoretical physics research may become possible in the near future. We discuss the main obstacles towards this goal and possible strategies to overcome them. The public problems and solutions, results for various models, and updates to the data set and score distribution, are available on the website of the dataset tpbench.org.

Despite remarkable advances in the field, LLMs remain unreliable in distinguishing causation from correlation. Recent results from the Corr2Cause dataset benchmark reveal that state-of-the-art LLMs -- such as GPT-4 (F1 score: 29.08) -- only marginally outperform random baselines (Random Uniform, F1 score: 20.38), indicating limited capacity of generalization. To tackle this limitation, we propose a novel structured approach: rather than directly answering causal queries, we provide the model with the capability to structure its thinking by guiding the model to build a structured knowledge graph, systematically encoding the provided correlational premises, to answer the causal queries. This intermediate representation significantly enhances the model's causal capabilities. Experiments on the test subset of the Corr2Cause dataset benchmark with Qwen3-32B model (reasoning model) show substantial gains over standard direct prompting methods, improving F1 scores from 32.71 to 48.26 (over 47.5% relative increase), along with notable improvements in precision and recall. These results underscore the effectiveness of providing the model with the capability to structure its thinking and highlight its promising potential for broader generalization across diverse causal inference tasks.

Measuring the full abilities of large language models (LLMs) requires benchmarks representing multiple tasks. We aim to create large, high-quality datasets for comparison of logical reasoning skills across several languages and of suitable difficulty for LLMs of various reasoning ability. We explore multiple ways of increasing difficulty. We generate zebra puzzles in multiple languages, themes, sizes and including 14 different clue types and 8 red herring types (uninformative clues). We find puzzle sizes 2x3 and 4x5 are sufficiently challenging for GPT-4o mini (a non-reasoning model) and o3-mini (a reasoning model), respectively. Including 5 red herrings decreases o3-mini puzzle-level accuracy on 4x5 puzzles by 15pm7 %. Scores of o3-mini on 4x5 puzzles are not significantly affected by use of English vs. Danish or the common houses theme vs. the country-specific smoerrebroed theme. We find no correlation between difficulty and the selected clue types. Datasets of 128+1024 puzzles are published as MultiZebraLogic in each of nine Germanic languages for sizes 2x3 and 4x5. We publish code for puzzle generation, designed for adaptablity into more languages and themes.

Linear sequences of words are implicitly represented in our brains by hierarchical structures that organize the composition of words in sentences. Linguists formalize different frameworks to model this hierarchy; two of the most common syntactic frameworks are Constituency and Dependency. Constituency represents sentences as nested groups of phrases, while dependency represents a sentence by assigning relations between its words. Recently, the pursuit of intelligent machines has produced Language Models (LMs) capable of solving many language tasks with a human-level performance. Many studies now question whether LMs implicitly represent syntactic hierarchies. This thesis focuses on producing constituency and dependency structures from LMs in an unsupervised setting. I review the critical methods in this field and highlight a line of work that utilizes a numerical representation for binary constituency trees (Syntactic Distance). I present a detailed study on StructFormer (SF) (Shen et al., 2021), which retrofits a transformer encoder architecture with a parser network to produce constituency and dependency structures. I present six experiments to analyze and address this field's challenges; experiments include investigating the effect of repositioning the parser network within the SF architecture, evaluating subword-based induced trees, and benchmarking the models developed in the thesis experiments on linguistic tasks. Models benchmarking is performed by participating in the BabyLM challenge, published at CoNLL 2023 (Momen et al., 2023). The results of this thesis encourage further development in the direction of retrofitting transformer-based models to induce syntactic structures, supported by the acceptable performance of SF in different experimental settings and the observed limitations that require innovative solutions to advance the state of syntactic structure induction.

For humans, language production and comprehension is sensitive to the hierarchical structure of sentences. In natural language processing, past work has questioned how effectively neural sequence models like transformers capture this hierarchical structure when generalizing to structurally novel inputs. We show that transformer language models can learn to generalize hierarchically after training for extremely long periods -- far beyond the point when in-domain accuracy has saturated. We call this phenomenon structural grokking. On multiple datasets, structural grokking exhibits inverted U-shaped scaling in model depth: intermediate-depth models generalize better than both very deep and very shallow transformers. When analyzing the relationship between model-internal properties and grokking, we find that optimal depth for grokking can be identified using the tree-structuredness metric of murty2023projections. Overall, our work provides strong evidence that, with extended training, vanilla transformers discover and use hierarchical structure.

Large Language Models (LLMs) have demonstrated notable proficiency in both code generation and comprehension across multiple programming languages. However, the mechanisms underlying this proficiency remain underexplored, particularly with respect to whether distinct programming languages are processed independently or within a shared parametric region. Drawing an analogy to the specialized regions of the brain responsible for distinct cognitive functions, we introduce the concept of Coding Spot, a specialized parametric region within LLMs that facilitates coding capabilities. Our findings identify this Coding Spot and show that targeted modifications to this subset significantly affect performance on coding tasks, while largely preserving non-coding functionalities. This compartmentalization mirrors the functional specialization observed in cognitive neuroscience, where specific brain regions are dedicated to distinct tasks, suggesting that LLMs may similarly employ specialized parameter regions for different knowledge domains.

Large Language Models (LLMs) increasingly exhibit strong reasoning abilities, often attributed to their capacity to generate chain-of-thought-style intermediate reasoning. Recent work suggests that exposure to code can further enhance these skills, but existing studies largely treat code as a generic training signal, leaving open the question of which properties of code actually contribute to improved reasoning. To address this gap, we study the structural complexity of code, which captures control flow and compositional structure that may shape how models internalise multi-step reasoning during fine-tuning. We examine two complementary settings: solution-driven complexity, where complexity varies across multiple solutions to the same problem, and problem-driven complexity, where complexity reflects variation in the underlying tasks. Using cyclomatic complexity and logical lines of code to construct controlled fine-tuning datasets, we evaluate a range of open-weight LLMs on diverse reasoning benchmarks. Our findings show that although code can improve reasoning, structural properties strongly determine its usefulness. In 83% of experiments, restricting fine-tuning data to a specific structural complexity range outperforms training on structurally diverse code, pointing to a data-centric path for improving reasoning beyond scaling.

Probabilistic models of language understanding are valuable tools for investigating human language use. However, they need to be hand-designed for a particular domain. In contrast, large language models (LLMs) are trained on text that spans a wide array of domains, but they lack the structure and interpretability of probabilistic models. In this paper, we use chain-of-thought prompts to introduce structures from probabilistic models into LLMs. We explore this approach in the case of metaphor understanding. Our chain-of-thought prompts lead language models to infer latent variables and reason about their relationships in order to choose appropriate paraphrases for metaphors. The latent variables and relationships chosen are informed by theories of metaphor understanding from cognitive psychology. We apply these prompts to the two largest versions of GPT-3 and show that they can improve performance in a paraphrase selection task.

Large language models (LLMs) have rapidly evolved from text generators into powerful problem solvers. Yet, many open tasks demand critical thinking, multi-source, and verifiable outputs, which are beyond single-shot prompting or standard retrieval-augmented generation. Recently, numerous studies have explored Deep Research (DR), which aims to combine the reasoning capabilities of LLMs with external tools, such as search engines, thereby empowering LLMs to act as research agents capable of completing complex, open-ended tasks. This survey presents a comprehensive and systematic overview of deep research systems, including a clear roadmap, foundational components, practical implementation techniques, important challenges, and future directions. Specifically, our main contributions are as follows: (i) we formalize a three-stage roadmap and distinguish deep research from related paradigms; (ii) we introduce four key components: query planning, information acquisition, memory management, and answer generation, each paired with fine-grained sub-taxonomies; (iii) we summarize optimization techniques, including prompting, supervised fine-tuning, and agentic reinforcement learning; and (iv) we consolidate evaluation criteria and open challenges, aiming to guide and facilitate future development. As the field of deep research continues to evolve rapidly, we are committed to continuously updating this survey to reflect the latest progress in this area.

Large language models (LLMs) have shown remarkable capability in natural language tasks, yet debate persists on whether they truly comprehend deep structure (i.e., core semantics) or merely rely on surface structure (e.g., presentation format). Prior studies observe that LLMs' performance declines when intervening on surface structure, arguing their success relies on surface structure recognition. However, surface structure sensitivity does not prevent deep structure comprehension. Rigorously evaluating LLMs' capability requires analyzing both, yet deep structure is often overlooked. To this end, we assess LLMs' comprehension ability using causal mediation analysis, aiming to fully discover the capability of using both deep and surface structures. Specifically, we formulate the comprehension of deep structure as direct causal effect (DCE) and that of surface structure as indirect causal effect (ICE), respectively. To address the non-estimability of original DCE and ICE -- stemming from the infeasibility of isolating mutual influences of deep and surface structures, we develop the corresponding quantifiable surrogates, including approximated DCE (ADCE) and approximated ICE (AICE). We further apply the ADCE to evaluate a series of mainstream LLMs, showing that most of them exhibit deep structure comprehension ability, which grows along with the prediction accuracy. Comparing ADCE and AICE demonstrates closed-source LLMs rely more on deep structure, while open-source LLMs are more surface-sensitive, which decreases with model scale. Theoretically, ADCE is a bidirectional evaluation, which measures both the sufficiency and necessity of deep structure changes in causing output variations, thus offering a more comprehensive assessment than accuracy, a common evaluation in LLMs. Our work provides new insights into LLMs' deep structure comprehension and offers novel methods for LLMs evaluation.

Representing and navigating hierarchy is a fundamental primitive of reasoning. Large language models have demonstrated proficiency in a wide variety of tasks requiring hierarchical reasoning, but there exists limited analysis on how the models geometrically represent the necessary latent constructions for such thinking. To this end, we develop H-probes, a collection of linear probes that extract hierarchical structure, specifically depth and pairwise distance, from latent representations. In synthetic tree traversal tasks, the H-probes robustly find the subspaces containing hierarchical structure necessary to complete the tasks; furthermore, in comprehensive ablation experiments, we show that these hierarchy-containing subspaces are low-dimensional, causally important for high task performance, and generalize within- and out-of-domain. Furthermore, we find analogous, though weaker, hierarchical structure in real-world hierarchical contexts such as mathematical reasoning traces. These results demonstrate that models represent hierarchy not only at the level of syntax and concepts, but at deeper levels of abstraction -- including the reasoning process itself.

Large language models (LLMs) exhibit remarkable capabilities on not just language tasks, but also various tasks that are not linguistic in nature, such as logical reasoning and social inference. In the human brain, neuroscience has identified a core language system that selectively and causally supports language processing. We here ask whether similar specialization for language emerges in LLMs. We identify language-selective units within 18 popular LLMs, using the same localization approach that is used in neuroscience. We then establish the causal role of these units by demonstrating that ablating LLM language-selective units -- but not random units -- leads to drastic deficits in language tasks. Correspondingly, language-selective LLM units are more aligned to brain recordings from the human language system than random units. Finally, we investigate whether our localization method extends to other cognitive domains: while we find specialized networks in some LLMs for reasoning and social capabilities, there are substantial differences among models. These findings provide functional and causal evidence for specialization in large language models, and highlight parallels with the functional organization in the brain.

Certain statistical models are capable of interpreting input strings as instructions, or prompts, and carry out tasks based on them. Many approaches to prompting and pre-training these models involve the automated generation of these prompts. We call these approaches meta-prompting, or prompting to obtain prompts. We propose a theoretical framework based on category theory to generalize and describe them. This framework is flexible enough to account for LLM stochasticity; and allows us to obtain formal results around task agnosticity and equivalence of various meta-prompting approaches. We experiment with meta-prompting in two active areas of model research: creativity and ideation. We find that user preference favors (p < 0.01) the prompts generated under meta-prompting, as well as their corresponding outputs, over a series of hardcoded baseline prompts that include the original task prompt. Using our framework, we argue that meta-prompting is more effective than basic prompting at generating desirable outputs.

Syntactic structures used to play a vital role in natural language processing (NLP), but since the deep learning revolution, NLP has been gradually dominated by neural models that do not consider syntactic structures in their design. One vastly successful class of neural models is transformers. When used as an encoder, a transformer produces contextual representation of words in the input sentence. In this work, we propose a new model of contextual word representation, not from a neural perspective, but from a purely syntactic and probabilistic perspective. Specifically, we design a conditional random field that models discrete latent representations of all words in a sentence as well as dependency arcs between them; and we use mean field variational inference for approximate inference. Strikingly, we find that the computation graph of our model resembles transformers, with correspondences between dependencies and self-attention and between distributions over latent representations and contextual embeddings of words. Experiments show that our model performs competitively to transformers on small to medium sized datasets. We hope that our work could help bridge the gap between traditional syntactic and probabilistic approaches and cutting-edge neural approaches to NLP, and inspire more linguistically-principled neural approaches in the future.

Large language models (LLMs) have demonstrated remarkable zero-shot generalization abilities: state-of-the-art chatbots can provide plausible answers to many common questions that arise in daily life. However, so far, LLMs cannot reliably solve long-horizon planning problems. By contrast, classical planners, once a problem is given in a formatted way, can use efficient search algorithms to quickly identify correct, or even optimal, plans. In an effort to get the best of both worlds, this paper introduces LLM+P, the first framework that incorporates the strengths of classical planners into LLMs. LLM+P takes in a natural language description of a planning problem, then returns a correct (or optimal) plan for solving that problem in natural language. LLM+P does so by first converting the language description into a file written in the planning domain definition language (PDDL), then leveraging classical planners to quickly find a solution, and then translating the found solution back into natural language. Along with LLM+P, we define a diverse set of different benchmark problems taken from common planning scenarios. Via a comprehensive set of experiments on these benchmark problems, we find that LLM+P is able to provide optimal solutions for most problems, while LLMs fail to provide even feasible plans for most problems.\footnote{The code and results are publicly available at https://github.com/Cranial-XIX/llm-pddl.git.

Huge language models (LMs) have ushered in a new era for AI, serving as a gateway to natural-language-based knowledge tasks. Although an essential element of modern AI, LMs are also inherently limited in a number of ways. We discuss these limitations and how they can be avoided by adopting a systems approach. Conceptualizing the challenge as one that involves knowledge and reasoning in addition to linguistic processing, we define a flexible architecture with multiple neural models, complemented by discrete knowledge and reasoning modules. We describe this neuro-symbolic architecture, dubbed the Modular Reasoning, Knowledge and Language (MRKL, pronounced "miracle") system, some of the technical challenges in implementing it, and Jurassic-X, AI21 Labs' MRKL system implementation.

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.

Despite significant advancements, there is a limited understanding of how large language models (LLMs) utilize knowledge for reasoning. To address this, we propose a method that deconstructs complex real-world questions into a graph, representing each question as a node with parent nodes of background knowledge needed to solve the question. We develop the DepthQA dataset, deconstructing questions into three depths: (i) recalling conceptual knowledge, (ii) applying procedural knowledge, and (iii) analyzing strategic knowledge. Based on a hierarchical graph, we quantify forward discrepancy, discrepancies in LLMs' performance on simpler sub-problems versus complex questions. We also measure backward discrepancy, where LLMs answer complex questions but struggle with simpler ones. Our analysis shows that smaller models have more discrepancies than larger models. Additionally, guiding models from simpler to complex questions through multi-turn interactions improves performance across model sizes, highlighting the importance of structured intermediate steps in knowledge reasoning. This work enhances our understanding of LLM reasoning and suggests ways to improve their problem-solving abilities.

Artefact descriptions are the primary carriers of engineering design knowledge that is both an outcome and a driver of the design process. While an artefact could be described in different connotations, the design process requires a description to embody engineering design knowledge, which is expressed in the text through intricate placement of entities and relationships. As large-language models learn from all kinds of text merely as a sequence of characters/tokens, these are yet to generate text that embodies explicit engineering design facts. Existing ontological design theories are less likely to guide the large-language models whose applications are currently limited to ideation and learning purposes. In this article, we explicate engineering design knowledge as knowledge graphs from a large sample of 33,881 patent documents. We examine the constituents of these knowledge graphs to understand the linguistic and structural basis of engineering design knowledge. In terms of linguistic basis, we observe that entities and relationships could be generalised to 64 and 24 linguistic syntaxes. While relationships mainly capture attributes ('of'), structure ('in', 'with'), purpose ('to', 'for'), hierarchy ('include'), exemplification ('such as'), and behaviour ('to', 'from'), the hierarchical relationships could specifically be identified using 75 unique syntaxes. To understand the structural basis, we draw inspiration from various studies on biological/ecological networks and discover motifs from patent knowledge graphs. We identify four 3-node and four 4-node patterns that could further be converged and simplified into sequence [->...->], aggregation [->...<-], and hierarchy [<-...->]. Expected to guide large-language model based design tools, we propose few regulatory precepts for concretising abstract entities and relationships within subgraphs, while explicating hierarchical structures.

Obtaining text datasets with semantic annotations is an effortful process, yet crucial for supervised training in natural language processsing (NLP). In general, developing and applying new NLP pipelines in domain-specific contexts for tasks often requires custom designed datasets to address NLP tasks in supervised machine learning fashion. When operating in non-English languages for medical data processing, this exposes several minor and major, interconnected problems such as lack of task-matching datasets as well as task-specific pre-trained models. In our work we suggest to leverage pretrained language models for training data acquisition in order to retrieve sufficiently large datasets for training smaller and more efficient models for use-case specific tasks. To demonstrate the effectiveness of your approach, we create a custom dataset which we use to train a medical NER model for German texts, GPTNERMED, yet our method remains language-independent in principle. Our obtained dataset as well as our pre-trained models are publicly available at: https://github.com/frankkramer-lab/GPTNERMED