Daily Papers

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

The topology of the hyperlink graph among pages expressing different opinions may influence the exposure of readers to diverse content. Structural bias may trap a reader in a polarized bubble with no access to other opinions. We model readers' behavior as random walks. A node is in a polarized bubble if the expected length of a random walk from it to a page of different opinion is large. The structural bias of a graph is the sum of the radii of highly-polarized bubbles. We study the problem of decreasing the structural bias through edge insertions. Healing all nodes with high polarized bubble radius is hard to approximate within a logarithmic factor, so we focus on finding the best k edges to insert to maximally reduce the structural bias. We present RePBubLik, an algorithm that leverages a variant of the random walk closeness centrality to select the edges to insert. RePBubLik obtains, under mild conditions, a constant-factor approximation. It reduces the structural bias faster than existing edge-recommendation methods, including some designed to reduce the polarization of a graph.

Autoregressive models (ARMs), which predict subsequent tokens one-by-one ``from left to right,'' have achieved significant success across a wide range of sequence generation tasks. However, they struggle to accurately represent sequences that require satisfying sophisticated constraints or whose sequential dependencies are better addressed by out-of-order generation. Masked Diffusion Models (MDMs) address some of these limitations, but the process of unmasking multiple tokens simultaneously in MDMs can introduce incoherences, and MDMs cannot handle arbitrary infilling constraints when the number of tokens to be filled in is not known in advance. In this work, we introduce Insertion Language Models (ILMs), which learn to insert tokens at arbitrary positions in a sequence -- that is, they select jointly both the position and the vocabulary element to be inserted. By inserting tokens one at a time, ILMs can represent strong dependencies between tokens, and their ability to generate sequences in arbitrary order allows them to accurately model sequences where token dependencies do not follow a left-to-right sequential structure. To train ILMs, we propose a tailored network parameterization and use a simple denoising objective. Our empirical evaluation demonstrates that ILMs outperform both ARMs and MDMs on common planning tasks. Furthermore, we show that ILMs outperform MDMs and perform on par with ARMs in an unconditional text generation task while offering greater flexibility than MDMs in arbitrary-length text infilling.

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.

This paper demonstrates that language models are strong structure-based protein designers. We present LM-Design, a generic approach to reprogramming sequence-based protein language models (pLMs), that have learned massive sequential evolutionary knowledge from the universe of natural protein sequences, to acquire an immediate capability to design preferable protein sequences for given folds. We conduct a structural surgery on pLMs, where a lightweight structural adapter is implanted into pLMs and endows it with structural awareness. During inference, iterative refinement is performed to effectively optimize the generated protein sequences. Experiments show that LM-Design improves the state-of-the-art results by a large margin, leading to up to 4% to 12% accuracy gains in sequence recovery (e.g., 55.65%/56.63% on CATH 4.2/4.3 single-chain benchmarks, and >60% when designing protein complexes). We provide extensive and in-depth analyses, which verify that LM-Design can (1) indeed leverage both structural and sequential knowledge to accurately handle structurally non-deterministic regions, (2) benefit from scaling data and model size, and (3) generalize to other proteins (e.g., antibodies and de novo proteins)

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

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.

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.

Recent advancements in speech large language models (SpeechLLMs) have attracted considerable attention. Nonetheless, current methods exhibit suboptimal performance in adhering to speech instructions. Notably, the intelligence of models significantly diminishes when processing speech-form input as compared to direct text-form input. Prior work has attempted to mitigate this semantic inconsistency between speech and text representations through techniques such as representation and behavior alignment, which involve the meticulous design of data pairs during the post-training phase. In this paper, we introduce a simple and scalable training method called InSerter, which stands for Interleaved Speech-Text Representation Pre-training. InSerter is designed to pre-train large-scale unsupervised speech-text sequences, where the speech is synthesized from randomly selected segments of an extensive text corpus using text-to-speech conversion. Consequently, the model acquires the ability to generate textual continuations corresponding to the provided speech segments, obviating the need for intensive data design endeavors. To systematically evaluate speech instruction-following capabilities, we introduce SpeechInstructBench, the first comprehensive benchmark specifically designed for speech-oriented instruction-following tasks. Our proposed InSerter achieves SOTA performance in SpeechInstructBench and demonstrates superior or competitive results across diverse speech processing tasks.

The alignment between RNA sequences and structures in foundation models (FMs) has yet to be thoroughly investigated. Existing FMs have struggled to establish sequence-structure alignment, hindering the free flow of genomic information between RNA sequences and structures. In this study, we introduce OmniGenome, an RNA FM trained to align RNA sequences with respect to secondary structures based on structure-contextualised modelling. The alignment enables free and bidirectional mappings between sequences and structures by utilising the flexible RNA modelling paradigm that supports versatile input and output modalities, i.e., sequence and/or structure as input/output. We implement RNA design and zero-shot secondary structure prediction as case studies to evaluate the Seq2Str and Str2Seq mapping capacity of OmniGenome. Results on the EternaV2 benchmark show that OmniGenome solved 74% of puzzles, whereas existing FMs only solved up to 3% of the puzzles due to the oversight of sequence-structure alignment. We leverage four comprehensive in-silico genome modelling benchmarks to evaluate performance across a diverse set of genome downstream tasks, where the results show that OmniGenome achieves state-of-the-art performance on RNA and DNA benchmarks, even without any training on DNA genomes.

Pretrained using large amount of data, autoregressive language models are able to generate high quality sequences. However, these models do not perform well under hard lexical constraints as they lack fine control of content generation process. Progressive insertion-based transformers can overcome the above limitation and efficiently generate a sequence in parallel given some input tokens as constraint. These transformers however may fail to support hard lexical constraints as their generation process is more likely to terminate prematurely. The paper analyses such early termination problems and proposes the Entity-constrained insertion transformer (ENCONTER), a new insertion transformer that addresses the above pitfall without compromising much generation efficiency. We introduce a new training strategy that considers predefined hard lexical constraints (e.g., entities to be included in the generated sequence). Our experiments show that ENCONTER outperforms other baseline models in several performance metrics rendering it more suitable in practical applications. Our code is available at https://github.com/LARC-CMU-SMU/Enconter

The rapid expansion of genomic sequence data calls for new methods to achieve robust sequence representations. Existing techniques often neglect intricate structural details, emphasizing mainly contextual information. To address this, we developed k-mer embeddings that merge contextual and structural string information by enhancing De Bruijn graphs with structural similarity connections. Subsequently, we crafted a self-supervised method based on Contrastive Learning that employs a heterogeneous Graph Convolutional Network encoder and constructs positive pairs based on node similarities. Our embeddings consistently outperform prior techniques for Edit Distance Approximation and Closest String Retrieval tasks.

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.

Strong inductive biases enable learning from little data and help generalization outside of the training distribution. Popular neural architectures such as Transformers lack strong structural inductive biases for seq2seq NLP tasks on their own. Consequently, they struggle with systematic generalization beyond the training distribution, e.g. with extrapolating to longer inputs, even when pre-trained on large amounts of text. We show how a structural inductive bias can be efficiently injected into a seq2seq model by pre-training it to simulate structural transformations on synthetic data. Specifically, we inject an inductive bias towards Finite State Transducers (FSTs) into a Transformer by pre-training it to simulate FSTs given their descriptions. Our experiments show that our method imparts the desired inductive bias, resulting in improved systematic generalization and better few-shot learning for FST-like tasks. Our analysis shows that fine-tuned models accurately capture the state dynamics of the unseen underlying FSTs, suggesting that the simulation process is internalized by the fine-tuned model.

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates a multimodal approach to simultaneously model, understand, and generate both sequences and structures. However, existing methods typically use separate models for each modality, limiting their ability to capture the intricate relationships between sequence and structure. This results in suboptimal performance in tasks that requires joint understanding and generation of both modalities. In this paper, we introduce DPLM-2, a multimodal protein foundation model that extends discrete diffusion protein language model (DPLM) to accommodate both sequences and structures. To enable structural learning with the language model, 3D coordinates are converted to discrete tokens using a lookup-free quantization-based tokenizer. By training on both experimental and high-quality synthetic structures, DPLM-2 learns the joint distribution of sequence and structure, as well as their marginals and conditionals. We also implement an efficient warm-up strategy to exploit the connection between large-scale evolutionary data and structural inductive biases from pre-trained sequence-based protein language models. Empirical evaluation shows that DPLM-2 can simultaneously generate highly compatible amino acid sequences and their corresponding 3D structures eliminating the need for a two-stage generation approach. Moreover, DPLM-2 demonstrates competitive performance in various conditional generation tasks, including folding, inverse folding, and scaffolding with multimodal motif inputs, as well as providing structure-aware representations for predictive tasks.

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

This work presents Insert Anything, a unified framework for reference-based image insertion that seamlessly integrates objects from reference images into target scenes under flexible, user-specified control guidance. Instead of training separate models for individual tasks, our approach is trained once on our new AnyInsertion dataset--comprising 120K prompt-image pairs covering diverse tasks such as person, object, and garment insertion--and effortlessly generalizes to a wide range of insertion scenarios. Such a challenging setting requires capturing both identity features and fine-grained details, while allowing versatile local adaptations in style, color, and texture. To this end, we propose to leverage the multimodal attention of the Diffusion Transformer (DiT) to support both mask- and text-guided editing. Furthermore, we introduce an in-context editing mechanism that treats the reference image as contextual information, employing two prompting strategies to harmonize the inserted elements with the target scene while faithfully preserving their distinctive features. Extensive experiments on AnyInsertion, DreamBooth, and VTON-HD benchmarks demonstrate that our method consistently outperforms existing alternatives, underscoring its great potential in real-world applications such as creative content generation, virtual try-on, and scene composition.

The integration of molecule and language has garnered increasing attention in molecular science. Recent advancements in Language Models (LMs) have demonstrated potential for the comprehensive modeling of molecule and language. However, existing works exhibit notable limitations. Most existing works overlook the modeling of 3D information, which is crucial for understanding molecular structures and also functions. While some attempts have been made to leverage external structure encoding modules to inject the 3D molecular information into LMs, there exist obvious difficulties that hinder the integration of molecular structure and language text, such as modality alignment and separate tuning. To bridge this gap, we propose 3D-MolT5, a unified framework designed to model both 1D molecular sequence and 3D molecular structure. The key innovation lies in our methodology for mapping fine-grained 3D substructure representations (based on 3D molecular fingerprints) to a specialized 3D token vocabulary for 3D-MolT5. This 3D structure token vocabulary enables the seamless combination of 1D sequence and 3D structure representations in a tokenized format, allowing 3D-MolT5 to encode molecular sequence (SELFIES), molecular structure, and text sequences within a unified architecture. Alongside, we further introduce 1D and 3D joint pre-training to enhance the model's comprehension of these diverse modalities in a joint representation space and better generalize to various tasks for our foundation model. Through instruction tuning on multiple downstream datasets, our proposed 3D-MolT5 shows superior performance than existing methods in molecular property prediction, molecule captioning, and text-based molecule generation tasks. Our code will be available on GitHub soon.

Large-scale pre-trained language models, such as BERT and GPT-2, have achieved excellent performance in language representation learning and free-form text generation. However, these models cannot be directly employed to generate text under specified lexical constraints. To address this challenge, we present POINTER (PrOgressive INsertion-based TransformER), a simple yet novel insertion-based approach for hard-constrained text generation. The proposed method operates by progressively inserting new tokens between existing tokens in a parallel manner. This procedure is recursively applied until a sequence is completed. The resulting coarse-to-fine hierarchy makes the generation process intuitive and interpretable. We pre-train our model with the proposed progressive insertion-based objective on a 12GB Wikipedia dataset, and fine-tune it on downstream hard-constrained generation tasks. Non-autoregressive decoding yields an empirically logarithmic time complexity during inference time. Experimental results on both News and Yelp datasets demonstrate that POINTER achieves state-of-the-art performance on constrained text generation. We released the pre-trained models and the source code to facilitate future research (https://github.com/dreasysnail/POINTER).

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.

The integration of syntactic structures into Transformer machine translation has shown positive results, but to our knowledge, no work has attempted to do so with semantic structures. In this work we propose two novel parameter-free methods for injecting semantic information into Transformers, both rely on semantics-aware masking of (some of) the attention heads. One such method operates on the encoder, through a Scene-Aware Self-Attention (SASA) head. Another on the decoder, through a Scene-Aware Cross-Attention (SACrA) head. We show a consistent improvement over the vanilla Transformer and syntax-aware models for four language pairs. We further show an additional gain when using both semantic and syntactic structures in some language pairs.

While artificial intelligence has made remarkable strides in revealing the relationship between biological macromolecules' primary sequence and tertiary structure, designing RNA sequences based on specified tertiary structures remains challenging. Though existing approaches in protein design have thoroughly explored structure-to-sequence dependencies in proteins, RNA design still confronts difficulties due to structural complexity and data scarcity. Moreover, direct transplantation of protein design methodologies into RNA design fails to achieve satisfactory outcomes although sharing similar structural components. In this study, we aim to systematically construct a data-driven RNA design pipeline. We crafted a large, well-curated benchmark dataset and designed a comprehensive structural modeling approach to represent the complex RNA tertiary structure. More importantly, we proposed a hierarchical data-efficient representation learning framework that learns structural representations through contrastive learning at both cluster-level and sample-level to fully leverage the limited data. By constraining data representations within a limited hyperspherical space, the intrinsic relationships between data points could be explicitly imposed. Moreover, we incorporated extracted secondary structures with base pairs as prior knowledge to facilitate the RNA design process. Extensive experiments demonstrate the effectiveness of our proposed method, providing a reliable baseline for future RNA design tasks. The source code and benchmark dataset are available at https://github.com/A4Bio/RDesign.

Coecke, Sadrzadeh, and Clark (arXiv:1003.4394v1 [cs.CL]) developed a compositional model of meaning for distributional semantics, in which each word in a sentence has a meaning vector and the distributional meaning of the sentence is a function of the tensor products of the word vectors. Abstractly speaking, this function is the morphism corresponding to the grammatical structure of the sentence in the category of finite dimensional vector spaces. In this paper, we provide a concrete method for implementing this linear meaning map, by constructing a corpus-based vector space for the type of sentence. Our construction method is based on structured vector spaces whereby meaning vectors of all sentences, regardless of their grammatical structure, live in the same vector space. Our proposed sentence space is the tensor product of two noun spaces, in which the basis vectors are pairs of words each augmented with a grammatical role. This enables us to compare meanings of sentences by simply taking the inner product of their vectors.

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

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

Recent research has adopted a new experimental field centered around the concept of text perturbations which has revealed that shuffled word order has little to no impact on the downstream performance of Transformer-based language models across many NLP tasks. These findings contradict the common understanding of how the models encode hierarchical and structural information and even question if the word order is modeled with position embeddings. To this end, this paper proposes nine probing datasets organized by the type of controllable text perturbation for three Indo-European languages with a varying degree of word order flexibility: English, Swedish and Russian. Based on the probing analysis of the M-BERT and M-BART models, we report that the syntactic sensitivity depends on the language and model pre-training objectives. We also find that the sensitivity grows across layers together with the increase of the perturbation granularity. Last but not least, we show that the models barely use the positional information to induce syntactic trees from their intermediate self-attention and contextualized representations.

With the advent of neural language models, the performance of code generation has been significantly boosted. However, the problem of repetitions during the generation process continues to linger. Previous work has primarily focused on content repetition, which is merely a fraction of the broader repetition problem in code generation. A more prevalent and challenging problem is structural repetition. In structural repetition, the repeated code appears in various patterns but possesses a fixed structure, which can be inherently reflected in grammar. In this paper, we formally define structural repetition and propose an efficient decoding approach called RPG, which stands for Repetition Penalization based on Grammar, to alleviate the repetition problems in code generation for LLMs. Specifically, RPG first leverages grammar rules to identify repetition problems during code generation, and then strategically decays the likelihood of critical tokens that contribute to repetitions, thereby mitigating them in code generation. To facilitate this study, we construct a new dataset CodeRepetEval to comprehensively evaluate approaches for mitigating the repetition problems in code generation. Extensive experimental results demonstrate that RPG substantially outperforms the best-performing baselines on CodeRepetEval dataset as well as HumanEval and MBPP benchmarks, effectively reducing repetitions and enhancing the quality of generated code.

Recent advances in generative modeling with diffusion processes (DPs) enabled breakthroughs in image synthesis. Despite impressive image quality, these models have various prompt compliance problems, including low recall in generating multiple objects, difficulty in generating text in images, and meeting constraints like object locations and pose. For fine-grained editing and manipulation, they also require fine-grained semantic or instance maps that are tedious to produce manually. While prompt compliance can be enhanced by addition of loss functions at inference, this is time consuming and does not scale to complex scenes. To overcome these limitations, this work introduces a new family of Factor Graph Diffusion Models (FG-DMs) that models the joint distribution of images and conditioning variables, such as semantic, sketch, depth or normal maps via a factor graph decomposition. This joint structure has several advantages, including support for efficient sampling based prompt compliance schemes, which produce images of high object recall, semi-automated fine-grained editing, text-based editing of conditions with noise inversion, explainability at intermediate levels, ability to produce labeled datasets for the training of downstream models such as segmentation or depth, training with missing data, and continual learning where new conditioning variables can be added with minimal or no modifications to the existing structure. We propose an implementation of FG-DMs by adapting a pre-trained Stable Diffusion (SD) model to implement all FG-DM factors, using only COCO dataset, and show that it is effective in generating images with 15\% higher recall than SD while retaining its generalization ability. We introduce an attention distillation loss that encourages consistency among the attention maps of all factors, improving the fidelity of the generated conditions and image.

Text driven diffusion models have shown remarkable capabilities in editing images. However, when editing 3D scenes, existing works mostly rely on training a NeRF for 3D editing. Recent NeRF editing methods leverages edit operations by deploying 2D diffusion models and project these edits into 3D space. They require strong positional priors alongside text prompt to identify the edit location. These methods are operational on small 3D scenes and are more generalized to particular scene. They require training for each specific edit and cannot be exploited in real-time edits. To address these limitations, we propose a novel method, FreeEdit, to make edits in training free manner using mesh representations as a substitute for NeRF. Training-free methods are now a possibility because of the advances in foundation model's space. We leverage these models to bring a training-free alternative and introduce solutions for insertion, replacement and deletion. We consider insertion, replacement and deletion as basic blocks for performing intricate edits with certain combinations of these operations. Given a text prompt and a 3D scene, our model is capable of identifying what object should be inserted/replaced or deleted and location where edit should be performed. We also introduce a novel algorithm as part of FreeEdit to find the optimal location on grounding object for placement. We evaluate our model by comparing it with baseline models on a wide range of scenes using quantitative and qualitative metrics and showcase the merits of our method with respect to others.

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

The task of inserting text into a specified position in a passage, known as fill in the blank (FitB), is useful for a variety of applications where writers interact with a natural language generation (NLG) system to craft text. While previous work has tackled this problem with models trained specifically to do the fill-in-the-blank task, a more useful model is one that can effectively perform _both_ FitB and continuation. In this work, we evaluate the feasibility of using a single model to do both tasks. We show that models pre-trained with a FitB-style objective are capable of both tasks, while models pre-trained for continuation are not. Finally, we show how FitB models can be easily finetuned to allow for fine-grained control over the length and word choice of the generation.

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

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.

Computational RNA design tasks are often posed as inverse problems, where sequences are designed based on adopting a single desired secondary structure without considering 3D geometry and conformational diversity. We introduce gRNAde, a geometric RNA design pipeline operating on 3D RNA backbones to design sequences that explicitly account for structure and dynamics. Under the hood, gRNAde is a multi-state Graph Neural Network that generates candidate RNA sequences conditioned on one or more 3D backbone structures where the identities of the bases are unknown. On a single-state fixed backbone re-design benchmark of 14 RNA structures from the PDB identified by Das et al. [2010], gRNAde obtains higher native sequence recovery rates (56% on average) compared to Rosetta (45% on average), taking under a second to produce designs compared to the reported hours for Rosetta. We further demonstrate the utility of gRNAde on a new benchmark of multi-state design for structurally flexible RNAs, as well as zero-shot ranking of mutational fitness landscapes in a retrospective analysis of a recent ribozyme. Open source code: https://github.com/chaitjo/geometric-rna-design

Semantic code search is the task of retrieving a code snippet given a textual description of its functionality. Recent work has been focused on using similarity metrics between neural embeddings of text and code. However, current language models are known to struggle with longer, compositional text, and multi-step reasoning. To overcome this limitation, we propose supplementing the query sentence with a layout of its semantic structure. The semantic layout is used to break down the final reasoning decision into a series of lower-level decisions. We use a Neural Module Network architecture to implement this idea. We compare our model - NS3 (Neuro-Symbolic Semantic Search) - to a number of baselines, including state-of-the-art semantic code retrieval methods, and evaluate on two datasets - CodeSearchNet and Code Search and Question Answering. We demonstrate that our approach results in more precise code retrieval, and we study the effectiveness of our modular design when handling compositional queries.

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

Multimodal protein language models (PLMs) integrate sequence and token-based structural information, serving as a powerful foundation for protein modeling, generation, and design. However, the reliance on tokenizing 3D structures into discrete tokens causes substantial loss of fidelity about fine-grained structural details and correlations. In this paper, we systematically elucidate the design space of multimodal PLMs to overcome their limitations. We identify tokenization loss and inaccurate structure token predictions by the PLMs as major bottlenecks. To address these, our proposed design space covers improved generative modeling, structure-aware architectures and representation learning, and data exploration. Our advancements approach finer-grained supervision, demonstrating that token-based multimodal PLMs can achieve robust structural modeling. The effective design methods dramatically improve the structure generation diversity, and notably, folding abilities of our 650M model by reducing the RMSD from 5.52 to 2.36 on PDB testset, even outperforming 3B baselines and on par with the specialized folding models.

Creating layouts is a fundamental step in graphic design. In this work, we propose to use text as the guidance to create graphic layouts, i.e., Text-to-Layout, aiming to lower the design barriers. Text-to-Layout is a challenging task, because it needs to consider the implicit, combined, and incomplete layout constraints from text, each of which has not been studied in previous work. To address this, we present a two-stage approach, named parse-then-place. The approach introduces an intermediate representation (IR) between text and layout to represent diverse layout constraints. With IR, Text-to-Layout is decomposed into a parse stage and a place stage. The parse stage takes a textual description as input and generates an IR, in which the implicit constraints from the text are transformed into explicit ones. The place stage generates layouts based on the IR. To model combined and incomplete constraints, we use a Transformer-based layout generation model and carefully design a way to represent constraints and layouts as sequences. Besides, we adopt the pretrain-then-finetune strategy to boost the performance of the layout generation model with large-scale unlabeled layouts. To evaluate our approach, we construct two Text-to-Layout datasets and conduct experiments on them. Quantitative results, qualitative analysis, and user studies demonstrate the effectiveness of our approach.

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.

We present a comprehensive evaluation of structured decoding for text-to-table generation with large language models (LLMs). While previous work has primarily focused on unconstrained generation of tables, the impact of enforcing structural constraints during generation remains underexplored. We systematically compare schema-guided (structured) decoding to standard one-shot prompting across three diverse benchmarks - E2E, Rotowire, and Livesum - using open-source LLMs of up to 32B parameters, assessing the performance of table generation approaches in resource-constrained settings. Our experiments cover a wide range of evaluation metrics at cell, row, and table levels. Results demonstrate that structured decoding significantly enhances the validity and alignment of generated tables, particularly in scenarios demanding precise numerical alignment (Rotowire), but may degrade performance in contexts involving densely packed textual information (E2E) or extensive aggregation over lengthy texts (Livesum). We further analyze the suitability of different evaluation metrics and discuss the influence of model size.

Document structure editing involves manipulating localized textual, visual, and layout components in document images based on the user's requests. Past works have shown that multimodal grounding of user requests in the document image and identifying the accurate structural components and their associated attributes remain key challenges for this task. To address these, we introduce the DocEdit-v2, a novel framework that performs end-to-end document editing by leveraging Large Multimodal Models (LMMs). It consists of three novel components: (1) Doc2Command, which simultaneously localizes edit regions of interest (RoI) and disambiguates user edit requests into edit commands; (2) LLM-based Command Reformulation prompting to tailor edit commands originally intended for specialized software into edit instructions suitable for generalist LMMs. (3) Moreover, DocEdit-v2 processes these outputs via Large Multimodal Models like GPT-4V and Gemini, to parse the document layout, execute edits on grounded Region of Interest (RoI), and generate the edited document image. Extensive experiments on the DocEdit dataset show that DocEdit-v2 significantly outperforms strong baselines on edit command generation (2-33%), RoI bounding box detection (12-31%), and overall document editing (1-12\%) tasks.

Adding Object into images based on text instructions is a challenging task in semantic image editing, requiring a balance between preserving the original scene and seamlessly integrating the new object in a fitting location. Despite extensive efforts, existing models often struggle with this balance, particularly with finding a natural location for adding an object in complex scenes. We introduce Add-it, a training-free approach that extends diffusion models' attention mechanisms to incorporate information from three key sources: the scene image, the text prompt, and the generated image itself. Our weighted extended-attention mechanism maintains structural consistency and fine details while ensuring natural object placement. Without task-specific fine-tuning, Add-it achieves state-of-the-art results on both real and generated image insertion benchmarks, including our newly constructed "Additing Affordance Benchmark" for evaluating object placement plausibility, outperforming supervised methods. Human evaluations show that Add-it is preferred in over 80% of cases, and it also demonstrates improvements in various automated metrics.

Computer-Aided Design (CAD) is a foundational component of industrial prototyping, where models are defined not by raw coordinates but by construction sequences such as sketches and extrusions. This sequential structure enables both efficient prototype initialization and subsequent editing. Text-guided CAD prototyping, which unifies Text-to-CAD generation and CAD editing, has the potential to streamline the entire design pipeline. However, prior work has not explored this setting, largely because standard large language model (LLM) tokenizers decompose CAD sequences into natural-language word pieces, failing to capture primitive-level CAD semantics and hindering attention modules from modeling geometric structure. We conjecture that a multimodal tokenization strategy, aligned with CAD's primitive and structural nature, can provide more effective representations. To this end, we propose CAD-Tokenizer, a framework that represents CAD data with modality-specific tokens using a sequence-based VQ-VAE with primitive-level pooling and constrained decoding. This design produces compact, primitive-aware representations that align with CAD's structural nature. Applied to unified text-guided CAD prototyping, CAD-Tokenizer significantly improves instruction following and generation quality, achieving better quantitative and qualitative performance over both general-purpose LLMs and task-specific baselines.

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

This document offers a detailed linguistic description of SNACS (Semantic Network of Adposition and Case Supersenses; Schneider et al., 2018), an inventory of 52 semantic labels ("supersenses") that characterize the use of adpositions and case markers at a somewhat coarse level of granularity, as demonstrated in the STREUSLE corpus (https://github.com/nert-nlp/streusle/ ; version 4.5 tracks guidelines version 2.6). Though the SNACS inventory aspires to be universal, this document is specific to English; documentation for other languages will be published separately. Version 2 is a revision of the supersense inventory proposed for English by Schneider et al. (2015, 2016) (henceforth "v1"), which in turn was based on previous schemes. The present inventory was developed after extensive review of the v1 corpus annotations for English, plus previously unanalyzed genitive case possessives (Blodgett and Schneider, 2018), as well as consideration of adposition and case phenomena in Hebrew, Hindi, Korean, and German. Hwang et al. (2017) present the theoretical underpinnings of the v2 scheme. Schneider et al. (2018) summarize the scheme, its application to English corpus data, and an automatic disambiguation task. Liu et al. (2021) offer an English Lexical Semantic Recognition tagger that includes SNACS labels in its output. This documentation can also be browsed alongside corpus data on the Xposition website (Gessler et al., 2022): http://www.xposition.org/

Multimodal protein language models deliver strong performance on mutation-effect prediction, but training such models from scratch demands substantial computational resources. In this paper, we propose a fine-tuning framework called InstructPLM-mu and try to answer a question: Can multimodal fine-tuning of a pretrained, sequence-only protein language model match the performance of models trained end-to-end? Surprisingly, our experiments show that fine-tuning ESM2 with structural inputs can reach performance comparable to ESM3. To understand how this is achieved, we systematically compare three different feature-fusion designs and fine-tuning recipes. Our results reveal that both the fusion method and the tuning strategy strongly affect final accuracy, indicating that the fine-tuning process is not trivial. We hope this work offers practical guidance for injecting structure into pretrained protein language models and motivates further research on better fusion mechanisms and fine-tuning protocols.

The chain-structured long short-term memory (LSTM) has showed to be effective in a wide range of problems such as speech recognition and machine translation. In this paper, we propose to extend it to tree structures, in which a memory cell can reflect the history memories of multiple child cells or multiple descendant cells in a recursive process. We call the model S-LSTM, which provides a principled way of considering long-distance interaction over hierarchies, e.g., language or image parse structures. We leverage the models for semantic composition to understand the meaning of text, a fundamental problem in natural language understanding, and show that it outperforms a state-of-the-art recursive model by replacing its composition layers with the S-LSTM memory blocks. We also show that utilizing the given structures is helpful in achieving a performance better than that without considering the structures.

Named entity disambiguation (NED), which involves mapping textual mentions to structured entities, is particularly challenging in the medical domain due to the presence of rare entities. Existing approaches are limited by the presence of coarse-grained structural resources in biomedical knowledge bases as well as the use of training datasets that provide low coverage over uncommon resources. In this work, we address these issues by proposing a cross-domain data integration method that transfers structural knowledge from a general text knowledge base to the medical domain. We utilize our integration scheme to augment structural resources and generate a large biomedical NED dataset for pretraining. Our pretrained model with injected structural knowledge achieves state-of-the-art performance on two benchmark medical NED datasets: MedMentions and BC5CDR. Furthermore, we improve disambiguation of rare entities by up to 57 accuracy points.

RNA design aims to find a sequence that folds with highest probability into a designated target structure. However, certain structures are undesignable, meaning no sequence can fold into the target structure under the default (Turner) RNA folding model. Understanding the specific local structures (i.e., "motifs") that contribute to undesignability is crucial for refining RNA folding models and determining the limits of RNA designability. Despite its importance, this problem has received very little attention, and previous efforts are neither scalable nor interpretable. We develop a new theoretical framework for motif (un-)designability, and design scalable and interpretable algorithms to identify minimal undesignable motifs within a given RNA secondary structure. Our approach establishes motif undesignability by searching for rival motifs, rather than exhaustively enumerating all (partial) sequences that could potentially fold into the motif. Furthermore, we exploit rotational invariance in RNA structures to detect, group, and reuse equivalent motifs and to construct a database of unique minimal undesignable motifs. To achieve that, we propose a loop-pair graph representation for motifs and a recursive graph isomorphism algorithm for motif equivalence. Our algorithms successfully identify 24 unique minimal undesignable motifs among 18 undesignable puzzles from the Eterna100 benchmark. Surprisingly, we also find over 350 unique minimal undesignable motifs and 663 undesignable native structures in the ArchiveII dataset, drawn from a diverse set of RNA families. Our source code is available at https://github.com/shanry/RNA-Undesign and our web server is available at http://linearfold.org/motifs.

Large language models (LLMs) are becoming attractive as few-shot reasoners to solve Natural Language (NL)-related tasks. However, the understanding of their capability to process structured data like tables remains an under-explored area. While tables can be serialized as input for LLMs, there is a lack of comprehensive studies on whether LLMs genuinely comprehend this data. In this paper, we try to understand this by designing a benchmark to evaluate the structural understanding capabilities of LLMs through seven distinct tasks, e.g., cell lookup, row retrieval and size detection. Specially, we perform a series of evaluations on the recent most advanced LLM models, GPT-3.5 and GPT-4 and observe that performance varied with different input choices, including table input format, content order, role prompting, and partition marks. Drawing from the insights gained through the benchmark evaluations, we propose self-augmentation for effective structural prompting, such as critical value / range identification using internal knowledge of LLMs. When combined with carefully chosen input choices, these structural prompting methods lead to promising improvements in LLM performance on a variety of tabular tasks, e.g., TabFact(uparrow2.31%), HybridQA(uparrow2.13%), SQA(uparrow2.72%), Feverous(uparrow0.84%), and ToTTo(uparrow5.68%). We believe that our open source benchmark and proposed prompting methods can serve as a simple yet generic selection for future research. The code and data of this paper will be temporality released at https://anonymous.4open.science/r/StructuredLLM-76F3/README.md and will be replaced with an official one at https://github.com/microsoft/TableProvider later.

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.

We show how to "compile" human-readable programs into standard decoder-only transformer models. Our compiler, Tracr, generates models with known structure. This structure can be used to design experiments. For example, we use it to study "superposition" in transformers that execute multi-step algorithms. Additionally, the known structure of Tracr-compiled models can serve as ground-truth for evaluating interpretability methods. Commonly, because the "programs" learned by transformers are unknown it is unclear whether an interpretation succeeded. We demonstrate our approach by implementing and examining programs including computing token frequencies, sorting, and parenthesis checking. We provide an open-source implementation of Tracr at https://github.com/google-deepmind/tracr.

Recent progress in text-to-image (T2I) models enables high-quality image generation with flexible textual control. To utilize the abundant visual priors in the off-the-shelf T2I models, a series of methods try to invert an image to proper embedding that aligns with the semantic space of the T2I model. However, these image-to-text (I2T) inversion methods typically need multiple source images containing the same concept or struggle with the imbalance between editing flexibility and visual fidelity. In this work, we point out that the critical problem lies in the foreground-background entanglement when learning an intended concept, and propose a simple and effective baseline for single-image I2T inversion, named SingleInsert. SingleInsert adopts a two-stage scheme. In the first stage, we regulate the learned embedding to concentrate on the foreground area without being associated with the irrelevant background. In the second stage, we finetune the T2I model for better visual resemblance and devise a semantic loss to prevent the language drift problem. With the proposed techniques, SingleInsert excels in single concept generation with high visual fidelity while allowing flexible editing. Additionally, SingleInsert can perform single-image novel view synthesis and multiple concepts composition without requiring joint training. To facilitate evaluation, we design an editing prompt list and introduce a metric named Editing Success Rate (ESR) for quantitative assessment of editing flexibility. Our project page is: https://jarrentwu1031.github.io/SingleInsert-web/

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.

In clinical radiology reports, doctors capture important information about the patient's health status. They convey their observations from raw medical imaging data about the inner structures of a patient. As such, formulating reports requires medical experts to possess wide-ranging knowledge about anatomical regions with their normal, healthy appearance as well as the ability to recognize abnormalities. This explicit grasp on both the patient's anatomy and their appearance is missing in current medical image-processing systems as annotations are especially difficult to gather. This renders the models to be narrow experts e.g. for identifying specific diseases. In this work, we recover this missing link by adding human anatomy into the mix and enable the association of content in medical reports to their occurrence in associated imagery (medical phrase grounding). To exploit anatomical structures in this scenario, we present a sophisticated automatic pipeline to gather and integrate human bodily structures from computed tomography datasets, which we incorporate in our PAXRay: A Projected dataset for the segmentation of Anatomical structures in X-Ray data. Our evaluation shows that methods that take advantage of anatomical information benefit heavily in visually grounding radiologists' findings, as our anatomical segmentations allow for up to absolute 50% better grounding results on the OpenI dataset as compared to commonly used region proposals. The PAXRay dataset is available at https://constantinseibold.github.io/paxray/.

The integration of biomolecular modeling with natural language (BL) has emerged as a promising interdisciplinary area at the intersection of artificial intelligence, chemistry and biology. This approach leverages the rich, multifaceted descriptions of biomolecules contained within textual data sources to enhance our fundamental understanding and enable downstream computational tasks such as biomolecule property prediction. The fusion of the nuanced narratives expressed through natural language with the structural and functional specifics of biomolecules described via various molecular modeling techniques opens new avenues for comprehensively representing and analyzing biomolecules. By incorporating the contextual language data that surrounds biomolecules into their modeling, BL aims to capture a holistic view encompassing both the symbolic qualities conveyed through language as well as quantitative structural characteristics. In this review, we provide an extensive analysis of recent advancements achieved through cross modeling of biomolecules and natural language. (1) We begin by outlining the technical representations of biomolecules employed, including sequences, 2D graphs, and 3D structures. (2) We then examine in depth the rationale and key objectives underlying effective multi-modal integration of language and molecular data sources. (3) We subsequently survey the practical applications enabled to date in this developing research area. (4) We also compile and summarize the available resources and datasets to facilitate future work. (5) Looking ahead, we identify several promising research directions worthy of further exploration and investment to continue advancing the field. The related resources and contents are updating in https://github.com/QizhiPei/Awesome-Biomolecule-Language-Cross-Modeling.

Structural priming is a cognitive phenomenon where exposure to a particular syntactic structure increases the likelihood of producing the same structure in subsequent utterances. While humans consistently demonstrate structural priming effects across various linguistic contexts, it remains unclear whether multimodal large language models (MLLMs) exhibit similar syntactic preservation behaviors. We introduce PRISMATIC, the first multimodal structural priming dataset, which advances computational linguistics by providing a standardized benchmark for investigating syntax-vision interactions. We propose the Syntactic Preservation Index (SPI), a novel reference-free evaluation metric designed specifically to assess structural priming effects in sentence level. Using this metric, we constructed and tested models with two different multimodal encoding architectures to investigate their structural preservation capabilities. Our experimental results demonstrate that models with both encoding methods show comparable syntactic priming effects. However, only fusion-encoded models exhibit robust positive correlations between priming effects and visual similarity, suggesting a cognitive process more aligned with human psycholinguistic patterns. This work provides new insights into evaluating and understanding how syntactic information is processed in multimodal language models.

Protein language models are a powerful tool for learning protein representations through pre-training on vast protein sequence datasets. However, traditional protein language models lack explicit structural supervision, despite its relevance to protein function. To address this issue, we introduce the integration of remote homology detection to distill structural information into protein language models without requiring explicit protein structures as input. We evaluate the impact of this structure-informed training on downstream protein function prediction tasks. Experimental results reveal consistent improvements in function annotation accuracy for EC number and GO term prediction. Performance on mutant datasets, however, varies based on the relationship between targeted properties and protein structures. This underscores the importance of considering this relationship when applying structure-aware training to protein function prediction tasks. Code and model weights are available at https://github.com/DeepGraphLearning/esm-s.

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional architectures in a causal multi-headed graph mechanism, to realize a generative pretrained model. The model is applied to predict secondary structure content (per-residue level and overall content), protein solubility, and sequencing tasks. Further trained on inverse tasks, the model is rendered capable of designing proteins with these properties as target features. The model is formulated as a general framework, completely prompt-based, and can be adapted for a variety of downstream tasks. We find that adding additional tasks yields emergent synergies that the model exploits in improving overall performance, beyond what would be possible by training a model on each dataset alone. Case studies are presented to validate the method, yielding protein designs specifically focused on structural proteins, but also exploring the applicability in the design of soluble, antimicrobial biomaterials. While our model is trained to ultimately perform 8 distinct tasks, with available datasets it can be extended to solve additional problems. In a broader sense, this work illustrates a form of multiscale modeling that relates a set of ultimate building blocks (here, byte-level utf8 characters) to complex output. This materiomic scheme captures complex emergent relationships between universal building block and resulting properties via a synergizing learning capacity to express a set of potentialities embedded in the knowledge used in training, via the interplay of universality and diversity.

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.

Instruction-tuned large language models have shown remarkable performance in aligning generated text with user intentions across various tasks. However, maintaining human-like discourse structure in the generated text remains a challenging research question. In this paper, we propose Instruct-SCTG, a flexible and effective sequential framework that harnesses instruction-tuned language models to generate structurally coherent text in both fine-tuned and zero-shot setups. Our framework generates articles in a section-by-section manner, aligned with the desired human structure using natural language instructions. Furthermore, we introduce a new automatic metric that measures discourse divergence in a fuzzy manner. Extensive experiments on three datasets from representative domains of news and recipes demonstrate the state-of-the-art performance of our framework in imposing discourse structure during text generation, as verified by both automatic and human evaluation. Our code will be available on Github.

RNA design is the search for a sequence or set of sequences that will fold into predefined structures, also known as the inverse problem of RNA folding. While numerous RNA design methods have been invented to find sequences capable of folding into a target structure, little attention has been given to the identification of undesignable structures according to the minimum free energy (MFE) criterion under the Turner model. In this paper, we address this gap by first introducing mathematical theorems outlining sufficient conditions for recognizing undesignable structures, then proposing efficient algorithms, guided by these theorems, to verify the undesignability of RNA structures. Through the application of these theorems and algorithms to the Eterna100 puzzles, we demonstrate the ability to efficiently establish that 15 of the puzzles indeed fall within the category of undesignable structures. In addition, we provide specific insights from the study of undesignability, in the hope that it will enable more understanding of RNA folding and RNA design.

Multi-turn instruction following capability constitutes a core competency of large language models (LLMs) in real-world applications. Existing evaluation benchmarks predominantly focus on fine-grained constraint satisfaction and domain-specific capability assessment, yet overlook the crucial structural dependency between dialogue turns that distinguishes multi-turn from single-turn interactions. This structural dependency not only reflects user intent but also establishes a second dimension for instruction following evaluation beyond constraint satisfaction. To address this gap, we propose StructFlowBench, a multi-turn instruction following benchmark with structural flow modeling. The benchmark innovatively defines a structural flow framework comprising six fundamental inter-turn relationships, which not only introduces novel structural constraints for model evaluation but also serves as generation parameters for creating customized dialogue flows tailored to specific scenarios. Adopting established LLM-based automatic evaluation methodologies, we conduct systematic evaluations of 13 leading open-source and closed-source LLMs. Experimental results reveal significant deficiencies in current models' comprehension of multi-turn dialogue structures. The code is available at https://github.com/MLGroupJLU/StructFlowBench.

Pre-trained models for programming language have achieved dramatic empirical improvements on a variety of code-related tasks such as code search, code completion, code summarization, etc. However, existing pre-trained models regard a code snippet as a sequence of tokens, while ignoring the inherent structure of code, which provides crucial code semantics and would enhance the code understanding process. We present GraphCodeBERT, a pre-trained model for programming language that considers the inherent structure of code. Instead of taking syntactic-level structure of code like abstract syntax tree (AST), we use data flow in the pre-training stage, which is a semantic-level structure of code that encodes the relation of "where-the-value-comes-from" between variables. Such a semantic-level structure is neat and does not bring an unnecessarily deep hierarchy of AST, the property of which makes the model more efficient. We develop GraphCodeBERT based on Transformer. In addition to using the task of masked language modeling, we introduce two structure-aware pre-training tasks. One is to predict code structure edges, and the other is to align representations between source code and code structure. We implement the model in an efficient way with a graph-guided masked attention function to incorporate the code structure. We evaluate our model on four tasks, including code search, clone detection, code translation, and code refinement. Results show that code structure and newly introduced pre-training tasks can improve GraphCodeBERT and achieves state-of-the-art performance on the four downstream tasks. We further show that the model prefers structure-level attentions over token-level attentions in the task of code search.

Balancing fidelity and editability is essential in text-based image editing (TIE), where failures commonly lead to over- or under-editing issues. Existing methods typically rely on attention injections for structure preservation and leverage the inherent text alignment capabilities of pre-trained text-to-image (T2I) models for editability, but they lack explicit and unified mechanisms to properly balance these two objectives. In this work, we introduce UnifyEdit, a tuning-free method that performs diffusion latent optimization to enable a balanced integration of fidelity and editability within a unified framework. Unlike direct attention injections, we develop two attention-based constraints: a self-attention (SA) preservation constraint for structural fidelity, and a cross-attention (CA) alignment constraint to enhance text alignment for improved editability. However, simultaneously applying both constraints can lead to gradient conflicts, where the dominance of one constraint results in over- or under-editing. To address this challenge, we introduce an adaptive time-step scheduler that dynamically adjusts the influence of these constraints, guiding the diffusion latent toward an optimal balance. Extensive quantitative and qualitative experiments validate the effectiveness of our approach, demonstrating its superiority in achieving a robust balance between structure preservation and text alignment across various editing tasks, outperforming other state-of-the-art methods. The source code will be available at https://github.com/CUC-MIPG/UnifyEdit.

Recent controllable generation approaches such as FreeControl and Diffusion Self-guidance bring fine-grained spatial and appearance control to text-to-image (T2I) diffusion models without training auxiliary modules. However, these methods optimize the latent embedding for each type of score function with longer diffusion steps, making the generation process time-consuming and limiting their flexibility and use. This work presents Ctrl-X, a simple framework for T2I diffusion controlling structure and appearance without additional training or guidance. Ctrl-X designs feed-forward structure control to enable the structure alignment with a structure image and semantic-aware appearance transfer to facilitate the appearance transfer from a user-input image. Extensive qualitative and quantitative experiments illustrate the superior performance of Ctrl-X on various condition inputs and model checkpoints. In particular, Ctrl-X supports novel structure and appearance control with arbitrary condition images of any modality, exhibits superior image quality and appearance transfer compared to existing works, and provides instant plug-and-play functionality to any T2I and text-to-video (T2V) diffusion model. See our project page for an overview of the results: https://genforce.github.io/ctrl-x

In infilling tasks, sub-tokens, representing instances where a complete token is segmented into two parts, often emerge at the boundaries of prefixes, middles, and suffixes. Traditional methods focused on training models at the token level, leading to sub-optimal performance in character-level infilling tasks during the inference stage. Alternately, some approaches considered character-level infilling, but they relied on predicting sub-tokens in inference, yet this strategy diminished ability in character-level infilling tasks due to the large perplexity of the model on sub-tokens. In this paper, we introduce FIM-SE, which stands for Fill-In-the-Middle with both Starting and Ending character constraints. The proposed method addresses character-level infilling tasks by utilizing a line-level format to avoid predicting any sub-token in inference. In addition, we incorporate two special tokens to signify the rest of the incomplete lines, thereby enhancing generation guidance. Extensive experiments demonstrate that our proposed approach surpasses previous methods, offering a significant advantage. Code is available at https://github.com/SenseLLM/FIM-SE.

This article introduces contrastive alignment instructions (AlignInstruct) to address two challenges in machine translation (MT) on large language models (LLMs). One is the expansion of supported languages to previously unseen ones. The second relates to the lack of data in low-resource languages. Model fine-tuning through MT instructions (MTInstruct) is a straightforward approach to the first challenge. However, MTInstruct is limited by weak cross-lingual signals inherent in the second challenge. AlignInstruct emphasizes cross-lingual supervision via a cross-lingual discriminator built using statistical word alignments. Our results based on fine-tuning the BLOOMZ models (1b1, 3b, and 7b1) in up to 24 unseen languages showed that: (1) LLMs can effectively translate unseen languages using MTInstruct; (2) AlignInstruct led to consistent improvements in translation quality across 48 translation directions involving English; (3) Discriminator-based instructions outperformed their generative counterparts as cross-lingual instructions; (4) AlignInstruct improved performance in 30 zero-shot directions.

Different from the flow semantics of natural languages, programming languages are inherently rigid in structure and grammar. Existing fine-tuning methodologies for code vulnerability detection generally treat code as long text sequences, stripping away structural elements such as newlines ('/n') and whitespace. However, this approach inadvertently results in the loss of crucial structural information, diminishing the distinct characteristics of code and impairing the accuracy of vulnerability detection. To address these challenges, we propose a novel network architecture method based on pre-trained code models, which incorporates structural information awareness. We propose an enhanced code text processing workflow that retains structural elements prior to modeling. This refinement allows the model to retain and exploit line-level structural information and semantic information during the modeling process. Furthermore, we introduce a new network architecture, the Code Structure-Aware Network through Line-level Semantic Learning (CSLS), which integrates three key components: global vulnerability awareness, line-structural awareness, and sensitive-line awareness. We have conducted comprehensive experiments using vulnerability detection datasets from real-world projects. Extensive experiments were conducted on vulnerability detection datasets derived from real-world projects. The results demonstrate that our new code pre-processing flow significantly improves existing baselines (e.g., a 3\% accuracy improvement on the Devign dataset when applied to popular models such as CoderBert and UniXcoder). The proposed network architecture also demonstrates superior accuracy in detecting vulnerabilities, surpassing newly established benchmarks. These findings underscore the importance of structural information in enhancing the efficacy of code vulnerability detection models.

Structure information is critical for understanding the semantics of text-rich images, such as documents, tables, and charts. Existing Multimodal Large Language Models (MLLMs) for Visual Document Understanding are equipped with text recognition ability but lack general structure understanding abilities for text-rich document images. In this work, we emphasize the importance of structure information in Visual Document Understanding and propose the Unified Structure Learning to boost the performance of MLLMs. Our Unified Structure Learning comprises structure-aware parsing tasks and multi-grained text localization tasks across 5 domains: document, webpage, table, chart, and natural image. To better encode structure information, we design a simple and effective vision-to-text module H-Reducer, which can not only maintain the layout information but also reduce the length of visual features by merging horizontal adjacent patches through convolution, enabling the LLM to understand high-resolution images more efficiently. Furthermore, by constructing structure-aware text sequences and multi-grained pairs of texts and bounding boxes for publicly available text-rich images, we build a comprehensive training set DocStruct4M to support structure learning. Finally, we construct a small but high-quality reasoning tuning dataset DocReason25K to trigger the detailed explanation ability in the document domain. Our model DocOwl 1.5 achieves state-of-the-art performance on 10 visual document understanding benchmarks, improving the SOTA performance of MLLMs with a 7B LLM by more than 10 points in 5/10 benchmarks. Our codes, models, and datasets are publicly available at https://github.com/X-PLUG/mPLUG-DocOwl/tree/main/DocOwl1.5.

We introduce Aligner, a novel Parameter-Efficient Fine-Tuning (PEFT) method for aligning multi-billion-parameter-sized Large Language Models (LLMs). Aligner employs a unique design that constructs a globally shared set of tunable tokens that modify the attention of every layer. Remarkably with this method, even when using one token accounting for a mere 5,000 parameters, Aligner can still perform comparably well to state-of-the-art LLM adaptation methods like LoRA that require millions of parameters. This capacity is substantiated in both instruction following and value alignment tasks. Besides the multiple order-of-magnitude improvement in parameter efficiency, the insight Aligner provides into the internal mechanisms of LLMs is also valuable. The architectural features and efficacy of our method, in addition to our experiments demonstrate that an LLM separates its internal handling of "form" and "knowledge" in a somewhat orthogonal manner. This finding promises to motivate new research into LLM mechanism understanding and value alignment.

Computer Aided Design (CAD) is indispensable across various industries. Text-based CAD editing, which automates the modification of CAD models based on textual instructions, holds great potential but remains underexplored. Existing methods primarily focus on design variation generation or text-based CAD generation, either lacking support for text-based control or neglecting existing CAD models as constraints. We introduce CAD-Editor, the first framework for text-based CAD editing. To address the challenge of demanding triplet data with accurate correspondence for training, we propose an automated data synthesis pipeline. This pipeline utilizes design variation models to generate pairs of original and edited CAD models and employs Large Vision-Language Models (LVLMs) to summarize their differences into editing instructions. To tackle the composite nature of text-based CAD editing, we propose a locate-then-infill framework that decomposes the task into two focused sub-tasks: locating regions requiring modification and infilling these regions with appropriate edits. Large Language Models (LLMs) serve as the backbone for both sub-tasks, leveraging their capabilities in natural language understanding and CAD knowledge. Experiments show that CAD-Editor achieves superior performance both quantitatively and qualitatively.

We present Magic Insert, a method for dragging-and-dropping subjects from a user-provided image into a target image of a different style in a physically plausible manner while matching the style of the target image. This work formalizes the problem of style-aware drag-and-drop and presents a method for tackling it by addressing two sub-problems: style-aware personalization and realistic object insertion in stylized images. For style-aware personalization, our method first fine-tunes a pretrained text-to-image diffusion model using LoRA and learned text tokens on the subject image, and then infuses it with a CLIP representation of the target style. For object insertion, we use Bootstrapped Domain Adaption to adapt a domain-specific photorealistic object insertion model to the domain of diverse artistic styles. Overall, the method significantly outperforms traditional approaches such as inpainting. Finally, we present a dataset, SubjectPlop, to facilitate evaluation and future progress in this area. Project page: https://magicinsert.github.io/

The Automunge open source python library platform for tabular data pre-processing automates feature engineering data transformations of numerical encoding and missing data infill to received tidy data on bases fit to properties of columns in a designated train set for consistent and efficient application to subsequent data pipelines such as for inference, where transformations may be applied to distinct columns in "family tree" sets with generations and branches of derivations. Included in the library of transformations are methods to extract structure from bounded categorical string sets by way of automated string parsing, in which comparisons between entries in the set of unique values are parsed to identify character subset overlaps which may be encoded by appended columns of boolean overlap detection activations or by replacing string entries with identified overlap partitions. Further string parsing options, which may also be applied to unbounded categoric sets, include extraction of numeric substring partitions from entries or search functions to identify presence of specified substring partitions. The aggregation of these methods into "family tree" sets of transformations are demonstrated for use to automatically extract structure from categoric string compositions in relation to the set of entries in a column, such as may be applied to prepare categoric string set encodings for machine learning without human intervention.

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.

We present EdiT5 - a novel semi-autoregressive text-editing model designed to combine the strengths of non-autoregressive text-editing and autoregressive decoding. EdiT5 is faster during inference than conventional sequence-to-sequence (seq2seq) models, while being capable of modelling flexible input-output transformations. This is achieved by decomposing the generation process into three sub-tasks: (1) tagging to decide on the subset of input tokens to be preserved in the output, (2) re-ordering to define their order in the output text, and (3) insertion to infill the missing tokens that are not present in the input. The tagging and re-ordering steps, which are responsible for generating the largest portion of the output, are non-autoregressive, while the insertion step uses an autoregressive decoder. Depending on the task, EdiT5 on average requires significantly fewer autoregressive steps, demonstrating speedups of up to 25x when compared to seq2seq models. Quality-wise, EdiT5 is initialized with a pre-trained T5 checkpoint yielding comparable performance to T5 in high-resource settings when evaluated on three NLG tasks: Sentence Fusion, Grammatical Error Correction, and Decontextualization while clearly outperforming T5 in low-resource settings.

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

Models need appropriate inductive biases to effectively learn from small amounts of data and generalize systematically outside of the training distribution. While Transformers are highly versatile and powerful, they can still benefit from enhanced structural inductive biases for seq2seq tasks, especially those involving syntactic transformations, such as converting active to passive voice or semantic parsing. In this paper, we propose to strengthen the structural inductive bias of a Transformer by intermediate pre-training to perform synthetically generated syntactic transformations of dependency trees given a description of the transformation. Our experiments confirm that this helps with few-shot learning of syntactic tasks such as chunking, and also improves structural generalization for semantic parsing. Our analysis shows that the intermediate pre-training leads to attention heads that keep track of which syntactic transformation needs to be applied to which token, and that the model can leverage these attention heads on downstream tasks.

Recent studies on AMR-to-text generation often formalize the task as a sequence-to-sequence (seq2seq) learning problem by converting an Abstract Meaning Representation (AMR) graph into a word sequence. Graph structures are further modeled into the seq2seq framework in order to utilize the structural information in the AMR graphs. However, previous approaches only consider the relations between directly connected concepts while ignoring the rich structure in AMR graphs. In this paper we eliminate such a strong limitation and propose a novel structure-aware self-attention approach to better modeling the relations between indirectly connected concepts in the state-of-the-art seq2seq model, i.e., the Transformer. In particular, a few different methods are explored to learn structural representations between two concepts. Experimental results on English AMR benchmark datasets show that our approach significantly outperforms the state of the art with 29.66 and 31.82 BLEU scores on LDC2015E86 and LDC2017T10, respectively. To the best of our knowledge, these are the best results achieved so far by supervised models on the benchmarks.

Despite being self-supervised, protein language models have shown remarkable performance in fundamental biological tasks such as predicting impact of genetic variation on protein structure and function. The effectiveness of these models on diverse set of tasks suggests that they learn meaningful representations of fitness landscape that can be useful for downstream clinical applications. Here, we interrogate the use of these language models in characterizing known pathogenic mutations in curated, medically actionable genes through an exhaustive search of putative compensatory mutations on each variant's genetic background. Systematic analysis of the predicted effects of these compensatory mutations reveal unappreciated structural features of proteins that are missed by other structure predictors like AlphaFold. While deep mutational scan experiments provide an unbiased estimate of the mutational landscape, we encourage the community to generate and curate rescue mutation experiments to inform the design of more sophisticated co-masking strategies and leverage large language models more effectively for downstream clinical prediction tasks.

Embedding models are crucial for tasks in Information Retrieval (IR) and semantic similarity measurement, yet their handling of longer texts and associated positional biases remains underexplored. In this study, we investigate the impact of content position and input size on text embeddings. Our experiments reveal that embedding models, irrespective of their positional encoding mechanisms, disproportionately prioritize the beginning of an input. Ablation studies demonstrate that insertion of irrelevant text or removal at the start of a document reduces cosine similarity between altered and original embeddings by up to 12.3% more than ablations at the end. Regression analysis further confirms this bias, with sentence importance declining as position moves further from the start, even with with content-agnosticity. We hypothesize that this effect arises from pre-processing strategies and chosen positional encoding techniques. These findings quantify the sensitivity of retrieval systems and suggest a new lens towards embedding model robustness.

While crosslingual transfer is crucial to contemporary language models' multilingual capabilities, how it occurs is not well understood. In this paper, we ask what happens to a monolingual language model when it begins to be trained on a second language. Specifically, we train small bilingual models for which we control the amount of data for each language and the order of language exposure. To find evidence of shared multilingual representations, we turn to structural priming, a method used to study grammatical representations in humans. We first replicate previous crosslingual structural priming results and find that after controlling for training data quantity and language exposure, there are asymmetrical effects across language pairs and directions. We argue that this asymmetry may shape hypotheses about human structural priming effects. We also find that structural priming effects are less robust for less similar language pairs, highlighting potential limitations of crosslingual transfer learning and shared representations for typologically diverse languages.

We introduce ObjectAdd, a training-free diffusion modification method to add user-expected objects into user-specified area. The motive of ObjectAdd stems from: first, describing everything in one prompt can be difficult, and second, users often need to add objects into the generated image. To accommodate with real world, our ObjectAdd maintains accurate image consistency after adding objects with technical innovations in: (1) embedding-level concatenation to ensure correct text embedding coalesce; (2) object-driven layout control with latent and attention injection to ensure objects accessing user-specified area; (3) prompted image inpainting in an attention refocusing & object expansion fashion to ensure rest of the image stays the same. With a text-prompted image, our ObjectAdd allows users to specify a box and an object, and achieves: (1) adding object inside the box area; (2) exact content outside the box area; (3) flawless fusion between the two areas

Text-guided generative diffusion models unlock powerful image creation and editing tools. While these have been extended to video generation, current approaches that edit the content of existing footage while retaining structure require expensive re-training for every input or rely on error-prone propagation of image edits across frames. In this work, we present a structure and content-guided video diffusion model that edits videos based on visual or textual descriptions of the desired output. Conflicts between user-provided content edits and structure representations occur due to insufficient disentanglement between the two aspects. As a solution, we show that training on monocular depth estimates with varying levels of detail provides control over structure and content fidelity. Our model is trained jointly on images and videos which also exposes explicit control of temporal consistency through a novel guidance method. Our experiments demonstrate a wide variety of successes; fine-grained control over output characteristics, customization based on a few reference images, and a strong user preference towards results by our model.

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.

Current language models tailored for code tasks often adopt the pre-training-then-fine-tuning paradigm from natural language processing, modeling source code as plain text. This approach, however, overlooks the unambiguous structures inherent in programming languages. In this work, we explore data-efficient adaptation of pre-trained code models by further pre-training and fine-tuning them with program structures. Specifically, we represent programs as parse trees -- also known as concrete syntax trees (CSTs) -- and adapt pre-trained models on serialized CSTs. Although the models that we adapt have been pre-trained only on the surface form of programs, we find that a small amount of continual pre-training and fine-tuning on CSTs without changing the model architecture yields improvements over the baseline approach across various code tasks. The improvements are found to be particularly significant when there are limited training examples, demonstrating the effectiveness of integrating program structures with plain-text representation even when working with backbone models that have not been pre-trained with structures.

Recent developments in long-context large language models have attracted considerable attention. Yet, their real-world applications are often hindered by ineffective context information use. This work shows that structuring training data to increase semantic interdependence is an effective strategy for optimizing context utilization. To this end, we introduce Structured Packing for Long Context (SPLiCe), a method for creating training examples by using information retrieval methods to collate mutually relevant documents into a single training context. We empirically validate SPLiCe on large 3B and 7B models, showing perplexity improvements and better long-context utilization on downstream tasks. Remarkably, already relatively short fine-tuning with SPLiCe is enough to attain these benefits. Additionally, the comprehensive study of SPLiCe reveals intriguing transfer effects such as training on code data leading to perplexity improvements on text data.

Traditional molecular string representations, such as SMILES, often pose challenges for AI-driven molecular design due to their non-sequential depiction of molecular substructures. To address this issue, we introduce Sequential Attachment-based Fragment Embedding (SAFE), a novel line notation for chemical structures. SAFE reimagines SMILES strings as an unordered sequence of interconnected fragment blocks while maintaining full compatibility with existing SMILES parsers. It streamlines complex generative tasks, including scaffold decoration, fragment linking, polymer generation, and scaffold hopping, while facilitating autoregressive generation for fragment-constrained design, thereby eliminating the need for intricate decoding or graph-based models. We demonstrate the effectiveness of SAFE by training an 87-million-parameter GPT2-like model on a dataset containing 1.1 billion SAFE representations. Through extensive experimentation, we show that our SAFE-GPT model exhibits versatile and robust optimization performance. SAFE opens up new avenues for the rapid exploration of chemical space under various constraints, promising breakthroughs in AI-driven molecular design.

Grammatical Error Correction has seen significant progress with the recent advancements in deep learning. As those methods require huge amounts of data, synthetic datasets are being built to fill this gap. Unfortunately, synthetic datasets are not organic enough in some cases and even require clean data to start with. Furthermore, most of the work that has been done is focused mostly on English. In this work, we introduce a new organic data-driven approach, clean insertions, to build parallel Turkish Grammatical Error Correction datasets from any organic data, and to clean the data used for training Large Language Models. We achieve state-of-the-art results on two Turkish Grammatical Error Correction test sets out of the three publicly available ones. We also show the effectiveness of our method on the training losses of training language models.

For an LLM to correctly respond to an instruction it must understand both the semantics and the domain (i.e., subject area) of a given task-instruction pair. However, syntax can also convey implicit information Recent work shows that syntactic templates -- frequent sequences of Part-of-Speech (PoS) tags -- are prevalent in training data and often appear in model outputs. In this work we characterize syntactic templates, domain, and semantics in task-instruction pairs. We identify cases of spurious correlations between syntax and domain, where models learn to associate a domain with syntax during training; this can sometimes override prompt semantics. Using a synthetic training dataset, we find that the syntactic-domain correlation can lower performance (mean 0.51 +/- 0.06) on entity knowledge tasks in OLMo-2 models (1B-13B). We introduce an evaluation framework to detect this phenomenon in trained models, and show that it occurs on a subset of the FlanV2 dataset in open (OLMo-2-7B; Llama-4-Maverick), and closed (GPT-4o) models. Finally, we present a case study on the implications for safety finetuning, showing that unintended syntactic-domain correlations can be used to bypass refusals in OLMo-2-7B Instruct and GPT-4o. Our findings highlight two needs: (1) to explicitly test for syntactic-domain correlations, and (2) to ensure syntactic diversity in training data, specifically within domains, to prevent such spurious correlations.

Faithful text image super-resolution (SR) is challenging because each character has a unique structure and usually exhibits diverse font styles and layouts. While existing methods primarily focus on English text, less attention has been paid to more complex scripts like Chinese. In this paper, we introduce a high-quality text image SR framework designed to restore the precise strokes of low-resolution (LR) Chinese characters. Unlike methods that rely on character recognition priors to regularize the SR task, we propose a novel structure prior that offers structure-level guidance to enhance visual quality. Our framework incorporates this structure prior within a StyleGAN model, leveraging its generative capabilities for restoration. To maintain the integrity of character structures while accommodating various font styles and layouts, we implement a codebook-based mechanism that restricts the generative space of StyleGAN. Each code in the codebook represents the structure of a specific character, while the vector w in StyleGAN controls the character's style, including typeface, orientation, and location. Through the collaborative interaction between the codebook and style, we generate a high-resolution structure prior that aligns with LR characters both spatially and structurally. Experiments demonstrate that this structure prior provides robust, character-specific guidance, enabling the accurate restoration of clear strokes in degraded characters, even for real-world LR Chinese text with irregular layouts. Our code and pre-trained models will be available at https://github.com/csxmli2016/MARCONetPlusPlus

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein functions. Recent sequence representation learning methods based on Protein Language Models (PLMs) excel in sequence-based tasks, but their direct adaptation to tasks involving protein structures remains a challenge. In contrast, structure-based methods leverage 3D structural information with graph neural networks and geometric pre-training methods show potential in function prediction tasks, but still suffers from the limited number of available structures. To bridge this gap, our study undertakes a comprehensive exploration of joint protein representation learning by integrating a state-of-the-art PLM (ESM-2) with distinct structure encoders (GVP, GearNet, CDConv). We introduce three representation fusion strategies and explore different pre-training techniques. Our method achieves significant improvements over existing sequence- and structure-based methods, setting new state-of-the-art for function annotation. This study underscores several important design choices for fusing protein sequence and structure information. Our implementation is available at https://github.com/DeepGraphLearning/ESM-GearNet.

Recurrent models have been dominating the field of neural machine translation (NMT) for the past few years. Transformers vaswani2017attention, have radically changed it by proposing a novel architecture that relies on a feed-forward backbone and self-attention mechanism. Although Transformers are powerful, they could fail to properly encode sequential/positional information due to their non-recurrent nature. To solve this problem, position embeddings are defined exclusively for each time step to enrich word information. However, such embeddings are fixed after training regardless of the task and the word ordering system of the source or target language. In this paper, we propose a novel architecture with new position embeddings depending on the input text to address this shortcoming by taking the order of target words into consideration. Instead of using predefined position embeddings, our solution generates new embeddings to refine each word's position information. Since we do not dictate the position of source tokens and learn them in an end-to-end fashion, we refer to our method as dynamic position encoding (DPE). We evaluated the impact of our model on multiple datasets to translate from English into German, French, and Italian and observed meaningful improvements in comparison to the original Transformer.

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}

Recently, the pre-trained language model, BERT (and its robustly optimized version RoBERTa), has attracted a lot of attention in natural language understanding (NLU), and achieved state-of-the-art accuracy in various NLU tasks, such as sentiment classification, natural language inference, semantic textual similarity and question answering. Inspired by the linearization exploration work of Elman [8], we extend BERT to a new model, StructBERT, by incorporating language structures into pre-training. Specifically, we pre-train StructBERT with two auxiliary tasks to make the most of the sequential order of words and sentences, which leverage language structures at the word and sentence levels, respectively. As a result, the new model is adapted to different levels of language understanding required by downstream tasks. The StructBERT with structural pre-training gives surprisingly good empirical results on a variety of downstream tasks, including pushing the state-of-the-art on the GLUE benchmark to 89.0 (outperforming all published models), the F1 score on SQuAD v1.1 question answering to 93.0, the accuracy on SNLI to 91.7.

Disassembly is a crucial yet challenging step in binary analysis. While emerging neural disassemblers show promise for efficiency and accuracy, they frequently generate outputs violating fundamental structural constraints, which significantly compromise their practical usability. To address this critical problem, we regularize the disassembly solution space by formalizing and applying key structural constraints based on post-dominance relations. This approach systematically detects widespread errors in existing neural disassemblers' outputs. These errors often originate from models' limited context modeling and instruction-level decoding that neglect global structural integrity. We introduce Tady, a novel neural disassembler featuring an improved model architecture and a dedicated post-processing algorithm, specifically engineered to address these deficiencies. Comprehensive evaluations on diverse binaries demonstrate that Tady effectively eliminates structural constraint violations and functions with high efficiency, while maintaining instruction-level accuracy.

It is common in graphic design humans visually arrange various elements according to their design intent and semantics. For example, a title text almost always appears on top of other elements in a document. In this work, we generate graphic layouts that can flexibly incorporate such design semantics, either specified implicitly or explicitly by a user. We optimize using the latent space of an off-the-shelf layout generation model, allowing our approach to be complementary to and used with existing layout generation models. Our approach builds on a generative layout model based on a Transformer architecture, and formulates the layout generation as a constrained optimization problem where design constraints are used for element alignment, overlap avoidance, or any other user-specified relationship. We show in the experiments that our approach is capable of generating realistic layouts in both constrained and unconstrained generation tasks with a single model. The code is available at https://github.com/ktrk115/const_layout .

The Universal Morphology (UniMorph) project is a collaborative effort providing broad-coverage instantiated normalized morphological inflection tables for hundreds of diverse world languages. The project comprises two major thrusts: a language-independent feature schema for rich morphological annotation and a type-level resource of annotated data in diverse languages realizing that schema. This paper presents the expansions and improvements made on several fronts over the last couple of years (since McCarthy et al. (2020)). Collaborative efforts by numerous linguists have added 67 new languages, including 30 endangered languages. We have implemented several improvements to the extraction pipeline to tackle some issues, e.g. missing gender and macron information. We have also amended the schema to use a hierarchical structure that is needed for morphological phenomena like multiple-argument agreement and case stacking, while adding some missing morphological features to make the schema more inclusive. In light of the last UniMorph release, we also augmented the database with morpheme segmentation for 16 languages. Lastly, this new release makes a push towards inclusion of derivational morphology in UniMorph by enriching the data and annotation schema with instances representing derivational processes from MorphyNet.

Sequence modeling has demonstrated state-of-the-art performance on natural language and document understanding tasks. However, it is challenging to correctly serialize tokens in form-like documents in practice due to their variety of layout patterns. We propose FormNet, a structure-aware sequence model to mitigate the suboptimal serialization of forms. First, we design Rich Attention that leverages the spatial relationship between tokens in a form for more precise attention score calculation. Second, we construct Super-Tokens for each word by embedding representations from their neighboring tokens through graph convolutions. FormNet therefore explicitly recovers local syntactic information that may have been lost during serialization. In experiments, FormNet outperforms existing methods with a more compact model size and less pre-training data, establishing new state-of-the-art performance on CORD, FUNSD and Payment benchmarks.

Scientific posters play a vital role in academic communication by presenting ideas through visual summaries. Analyzing reading order and parent-child relations of posters is essential for building structure-aware interfaces that facilitate clear and accurate understanding of research content. Despite their prevalence in academic communication, posters remain underexplored in structural analysis research, which has primarily focused on papers. To address this gap, we constructed SciPostLayoutTree, a dataset of approximately 8,000 posters annotated with reading order and parent-child relations. Compared to an existing structural analysis dataset, SciPostLayoutTree contains more instances of spatially challenging relations, including upward, horizontal, and long-distance relations. As a solution to these challenges, we develop Layout Tree Decoder, which incorporates visual features as well as bounding box features including position and category information. The model also uses beam search to predict relations while capturing sequence-level plausibility. Experimental results demonstrate that our model improves the prediction accuracy for spatially challenging relations and establishes a solid baseline for poster structure analysis. The dataset is publicly available at https://huggingface.co/datasets/omron-sinicx/scipostlayouttree. The code is also publicly available at https://github.com/omron-sinicx/scipostlayouttree.

Syntax-incorporated machine translation models have been proven successful in improving the model's reasoning and meaning preservation ability. In this paper, we propose a simple yet effective graph-structured encoder, the Recurrent Graph Syntax Encoder, dubbed RGSE, which enhances the ability to capture useful syntactic information. The RGSE is done over a standard encoder (recurrent or self-attention encoder), regarding recurrent network units as graph nodes and injects syntactic dependencies as edges, such that RGSE models syntactic dependencies and sequential information (i.e., word order) simultaneously. Our approach achieves considerable improvements over several syntax-aware NMT models in EnglishRightarrowGerman and EnglishRightarrowCzech translation tasks. And RGSE-equipped big model obtains competitive result compared with the state-of-the-art model in WMT14 En-De task. Extensive analysis further verifies that RGSE could benefit long sentence modeling, and produces better translations.

We introduce InseRF, a novel method for generative object insertion in the NeRF reconstructions of 3D scenes. Based on a user-provided textual description and a 2D bounding box in a reference viewpoint, InseRF generates new objects in 3D scenes. Recently, methods for 3D scene editing have been profoundly transformed, owing to the use of strong priors of text-to-image diffusion models in 3D generative modeling. Existing methods are mostly effective in editing 3D scenes via style and appearance changes or removing existing objects. Generating new objects, however, remains a challenge for such methods, which we address in this study. Specifically, we propose grounding the 3D object insertion to a 2D object insertion in a reference view of the scene. The 2D edit is then lifted to 3D using a single-view object reconstruction method. The reconstructed object is then inserted into the scene, guided by the priors of monocular depth estimation methods. We evaluate our method on various 3D scenes and provide an in-depth analysis of the proposed components. Our experiments with generative insertion of objects in several 3D scenes indicate the effectiveness of our method compared to the existing methods. InseRF is capable of controllable and 3D-consistent object insertion without requiring explicit 3D information as input. Please visit our project page at https://mohamad-shahbazi.github.io/inserf.

Relational structures such as schema linking and schema encoding have been validated as a key component to qualitatively translating natural language into SQL queries. However, introducing these structural relations comes with prices: they often result in a specialized model structure, which largely prohibits using large pretrained models in text-to-SQL. To address this problem, we propose RASAT: a Transformer seq2seq architecture augmented with relation-aware self-attention that could leverage a variety of relational structures while inheriting the pretrained parameters from the T5 model effectively. Our model can incorporate almost all types of existing relations in the literature, and in addition, we propose introducing co-reference relations for the multi-turn scenario. Experimental results on three widely used text-to-SQL datasets, covering both single-turn and multi-turn scenarios, have shown that RASAT could achieve state-of-the-art results across all three benchmarks (75.5% EX on Spider, 52.6% IEX on SParC, and 37.4% IEX on CoSQL).

Protein language models (pLMs) pre-trained on vast protein sequence databases excel at various downstream tasks but lack the structural knowledge essential for many biological applications. To address this, we integrate structural insights from pre-trained protein graph neural networks (pGNNs) into pLMs through a latent-level contrastive learning task. This task aligns residue representations from pLMs with those from pGNNs across multiple proteins, enriching pLMs with inter-protein structural knowledge. Additionally, we incorporate a physical-level task that infuses intra-protein structural knowledge by optimizing pLMs to predict structural tokens. The proposed dual-task framework effectively incorporates both inter-protein and intra-protein structural knowledge into pLMs. Given the variability in the quality of protein structures in PDB, we further introduce a residue loss selection module, which uses a small model trained on high-quality structures to select reliable yet challenging residue losses for the pLM to learn. Applying our structure alignment method to the state-of-the-art ESM2 and AMPLIFY results in notable performance gains across a wide range of tasks, including a 12.7% increase in ESM2 contact prediction. The data, code, and resulting SaESM2 and SaAMPLIFY models will be released on Hugging Face.

The adaptation of large language models (LLMs) to chemistry has shown promising performance in molecular understanding tasks, such as generating a text description from a molecule. However, proper reasoning based on molecular structural information remains a significant challenge, e.g., even advanced LLMs such as GPT-4o struggle to identify functional groups which are crucial for inferring the molecular property of interest. To address this limitation, we propose StructCoT, a structure-aware chain-of-thought (CoT) that enhances LLMs' understanding of molecular structures by explicitly injecting the key structural features of molecules. Moreover, we introduce two fine-tuning frameworks for adapting the existing LLMs to use our StructCoT. Our experiments demonstrate that incorporating StructCoT with our fine-tuning frameworks leads to consistent improvements in both molecular understanding tasks.

Deep image inpainting has made impressive progress with recent advances in image generation and processing algorithms. We claim that the performance of inpainting algorithms can be better judged by the generated structures and textures. Structures refer to the generated object boundary or novel geometric structures within the hole, while texture refers to high-frequency details, especially man-made repeating patterns filled inside the structural regions. We believe that better structures are usually obtained from a coarse-to-fine GAN-based generator network while repeating patterns nowadays can be better modeled using state-of-the-art high-frequency fast fourier convolutional layers. In this paper, we propose a novel inpainting network combining the advantages of the two designs. Therefore, our model achieves a remarkable visual quality to match state-of-the-art performance in both structure generation and repeating texture synthesis using a single network. Extensive experiments demonstrate the effectiveness of the method, and our conclusions further highlight the two critical factors of image inpainting quality, structures, and textures, as the future design directions of inpainting networks.

Prior work has shown that fine-tuning models on a narrow domain with misaligned data can lead to broad misalignment - a phenomenon termed "emergent misalignment" (Betley et al. 2025). While all tested models were susceptible to emergent misalignment, some models showed more resistance than others. Specifically the Qwen-2.5 family proved to be relatively resistant, while GPT-4o exhibited the strongest misalignment. In this paper we evaluate if current-generation open-weights models exhibit similar resistance to the Qwen-2.5 family and measure misalignment robustness over a range of model architectures and scales. We replicate the effect across nine modern open-weights models (Gemma 3 and Qwen 3 families, 1B-32B parameters). Models fine-tuned on insecure code generation show a 0.68% misalignment rate (compared to 0.07% for base models), matching the lower end of prior open-model results but dramatically lower than GPT-4o's 20%. We identify a critical format-dependent vulnerability: requiring JSON output doubles misalignment rates compared to natural language prompts (0.96% vs 0.42%). This suggests that structural constraints may bypass safety training by reducing the model's 'degrees of freedom' to refuse. These findings confirm emergent misalignment as a reproducible phenomenon in modern open-weights models, with rates substantially lower than observed in proprietary systems.

Recent advances in Large Language Models (LLMs) enable exciting LLM-integrated applications, which perform text-based tasks by utilizing their advanced language understanding capabilities. However, as LLMs have improved, so have the attacks against them. Prompt injection attacks are an important threat: they trick the model to deviate from the original application's instructions and instead follow user directives. These attacks rely on the LLM's ability to follow instructions and inability to separate the prompts and user data. We introduce structured queries, a general approach to tackle this problem. Structured queries separate prompts and data into two channels. We implement a system that supports structured queries. This system is made of (1) a secure front-end that formats a prompt and user data into a special format, and (2) a specially trained LLM that can produce high-quality outputs from these inputs. The LLM is trained using a novel fine-tuning strategy: we convert a base (non-instruction-tuned) LLM to a structured instruction-tuned model that will only follow instructions in the prompt portion of a query. To do so, we augment standard instruction tuning datasets with examples that also include instructions in the data portion of the query, and fine-tune the model to ignore these. Our system significantly improves resistance to prompt injection attacks, with little or no impact on utility. Our code is released at https://github.com/Sizhe-Chen/PromptInjectionDefense.

Heterogeneous tabular data poses unique challenges in generative modelling due to its fundamentally different underlying data structure compared to homogeneous modalities, such as images and text. Although previous research has sought to adapt the successes of generative modelling in homogeneous modalities to the tabular domain, defining an effective generator for tabular data remains an open problem. One major reason is that the evaluation criteria inherited from other modalities often fail to adequately assess whether tabular generative models effectively capture or utilise the unique structural information encoded in tabular data. In this paper, we carefully examine the limitations of the prevailing evaluation framework and introduce TabStruct, a novel evaluation benchmark that positions structural fidelity as a core evaluation dimension. Specifically, TabStruct evaluates the alignment of causal structures in real and synthetic data, providing a direct measure of how effectively tabular generative models learn the structure of tabular data. Through extensive experiments using generators from eight categories on seven datasets with expert-validated causal graphical structures, we show that structural fidelity offers a task-independent, domain-agnostic evaluation dimension. Our findings highlight the importance of tabular data structure and offer practical guidance for developing more effective and robust tabular generative models. Code is available at https://github.com/SilenceX12138/TabStruct.

Image inpainting has made significant advances in recent years. However, it is still challenging to recover corrupted images with both vivid textures and reasonable structures. Some specific methods only tackle regular textures while losing holistic structures due to the limited receptive fields of convolutional neural networks (CNNs). On the other hand, attention-based models can learn better long-range dependency for the structure recovery, but they are limited by the heavy computation for inference with large image sizes. To address these issues, we propose to leverage an additional structure restorer to facilitate the image inpainting incrementally. The proposed model restores holistic image structures with a powerful attention-based transformer model in a fixed low-resolution sketch space. Such a grayscale space is easy to be upsampled to larger scales to convey correct structural information. Our structure restorer can be integrated with other pretrained inpainting models efficiently with the zero-initialized residual addition. Furthermore, a masking positional encoding strategy is utilized to improve the performance with large irregular masks. Extensive experiments on various datasets validate the efficacy of our model compared with other competitors. Our codes are released in https://github.com/DQiaole/ZITS_inpainting.

Exemplar-based semantic image synthesis aims to generate images aligned with given semantic content while preserving the appearance of an exemplar image. Conventional structure-guidance models, such as ControlNet, are limited in that they cannot directly utilize exemplar images as input, relying instead solely on text prompts to control appearance. Recent tuning-free approaches address this limitation by transferring local appearance from the exemplar image to the synthesized image through implicit cross-image matching in the augmented self-attention mechanism of pre-trained diffusion models. However, these methods face challenges when applied to content-rich scenes with significant geometric deformations, such as driving scenes. In this paper, we propose the Appearance Matching Adapter (AM-Adapter), a learnable framework that enhances cross-image matching within augmented self-attention by incorporating semantic information from segmentation maps. To effectively disentangle generation and matching processes, we adopt a stage-wise training approach. Initially, we train the structure-guidance and generation networks, followed by training the AM-Adapter while keeping the other networks frozen. During inference, we introduce an automated exemplar retrieval method to efficiently select exemplar image-segmentation pairs. Despite utilizing a limited number of learnable parameters, our method achieves state-of-the-art performance, excelling in both semantic alignment preservation and local appearance fidelity. Extensive ablation studies further validate our design choices. Code and pre-trained weights will be publicly available.: https://cvlab-kaist.github.io/AM-Adapter/

Languages can encode temporal subordination lexically, via subordinating conjunctions, and morphologically, by marking the relation on the predicate. Systematic cross-linguistic variation among the former can be studied using well-established token-based typological approaches to token-aligned parallel corpora. Variation among different morphological means is instead much harder to tackle and therefore more poorly understood, despite being predominant in several language groups. This paper explores variation in the expression of generic temporal subordination ('when'-clauses) among the languages of Latin America and the Caribbean, where morphological marking is particularly common. It presents probabilistic semantic maps computed on the basis of the languages of the region, thus avoiding bias towards the many world's languages that exclusively use lexified connectors, incorporating associations between character n-grams and English when. The approach allows capturing morphological clause-linkage devices in addition to lexified connectors, paving the way for larger-scale, strategy-agnostic analyses of typological variation in temporal subordination.

The attention mechanism is a critical component of Large Language Models (LLMs) that allows tokens in a sequence to interact with each other, but is order-invariant. Incorporating position encoding (PE) makes it possible to address by position, such as attending to the i-th token. However, current PE methods use token counts to derive position, and thus cannot generalize to higher levels of abstraction, such as attending to the i-th sentence. In this paper, we propose a new position encoding method, Contextual Position Encoding (CoPE), that allows positions to be conditioned on context by incrementing position only on certain tokens determined by the model. This allows more general position addressing such as attending to the i-th particular word, noun, or sentence. We show that CoPE can solve the selective copy, counting and Flip-Flop tasks where popular position embeddings fail, and improves perplexity on language modeling and coding tasks.

Large-scale vision-language pre-training has achieved significant performance in multi-modal understanding and generation tasks. However, existing methods often perform poorly on image-text matching tasks that require structured representations, i.e., representations of objects, attributes, and relations. As illustrated in Fig.~reffig:case (a), the models cannot make a distinction between ``An astronaut rides a horse" and ``A horse rides an astronaut". This is because they fail to fully leverage structured knowledge when learning representations in multi-modal scenarios. In this paper, we present an end-to-end framework Structure-CLIP, which integrates Scene Graph Knowledge (SGK) to enhance multi-modal structured representations. Firstly, we use scene graphs to guide the construction of semantic negative examples, which results in an increased emphasis on learning structured representations. Moreover, a Knowledge-Enhance Encoder (KEE) is proposed to leverage SGK as input to further enhance structured representations. To verify the effectiveness of the proposed framework, we pre-train our model with the aforementioned approaches and conduct experiments on downstream tasks. Experimental results demonstrate that Structure-CLIP achieves state-of-the-art (SOTA) performance on VG-Attribution and VG-Relation datasets, with 12.5% and 4.1% ahead of the multi-modal SOTA model respectively. Meanwhile, the results on MSCOCO indicate that Structure-CLIP significantly enhances the structured representations while maintaining the ability of general representations. Our code is available at https://github.com/zjukg/Structure-CLIP.

Instruction-guided 3D editing is a rapidly emerging field with the potential to broaden access to 3D content creation. However, existing methods face critical limitations: optimization-based approaches are prohibitively slow, while feed-forward approaches relying on multi-view 2D editing often suffer from inconsistent geometry and degraded visual quality. To address these issues, we propose a novel native 3D editing framework that directly manipulates 3D representations in a single, efficient feed-forward pass. Specifically, we create a large-scale, multi-modal dataset for instruction-guided 3D editing, covering diverse addition, deletion, and modification tasks. This dataset is meticulously curated to ensure that edited objects faithfully adhere to the instructional changes while preserving the consistency of unedited regions with the source object. Building upon this dataset, we explore two distinct conditioning strategies for our model: a conventional cross-attention mechanism and a novel 3D token concatenation approach. Our results demonstrate that token concatenation is more parameter-efficient and achieves superior performance. Extensive evaluations show that our method outperforms existing 2D-lifting approaches, setting a new benchmark in generation quality, 3D consistency, and instruction fidelity.

Since self-attention layers in Transformers are permutation invariant by design, positional encodings must be explicitly incorporated to enable spatial understanding. However, fixed-size lookup tables used in traditional learnable position embeddings (PEs) limit extrapolation capabilities beyond pre-trained sequence lengths. Expert-designed methods such as ALiBi and RoPE, mitigate this limitation but demand extensive modifications for adapting to new modalities, underscoring fundamental challenges in adaptability and scalability. In this work, we present SeqPE, a unified and fully learnable position encoding framework that represents each n-dimensional position index as a symbolic sequence and employs a lightweight sequential position encoder to learn their embeddings in an end-to-end manner. To regularize SeqPE's embedding space, we introduce two complementary objectives: a contrastive objective that aligns embedding distances with a predefined position-distance function, and a knowledge distillation loss that anchors out-of-distribution position embeddings to in-distribution teacher representations, further enhancing extrapolation performance. Experiments across language modeling, long-context question answering, and 2D image classification demonstrate that SeqPE not only surpasses strong baselines in perplexity, exact match (EM), and accuracy--particularly under context length extrapolation--but also enables seamless generalization to multi-dimensional inputs without requiring manual architectural redesign. We release our code, data, and checkpoints at https://github.com/ghrua/seqpe.

Layout generation is the keystone in achieving automated graphic design, requiring arranging the position and size of various multi-modal design elements in a visually pleasing and constraint-following manner. Previous approaches are either inefficient for large-scale applications or lack flexibility for varying design requirements. Our research introduces a unified framework for automated graphic layout generation, leveraging the multi-modal large language model (MLLM) to accommodate diverse design tasks. In contrast, our data-driven method employs structured text (JSON format) and visual instruction tuning to generate layouts under specific visual and textual constraints, including user-defined natural language specifications. We conducted extensive experiments and achieved state-of-the-art (SOTA) performance on public multi-modal layout generation benchmarks, demonstrating the effectiveness of our method. Moreover, recognizing existing datasets' limitations in capturing the complexity of real-world graphic designs, we propose two new datasets for much more challenging tasks (user-constrained generation and complicated poster), further validating our model's utility in real-life settings. Marking by its superior accessibility and adaptability, this approach further automates large-scale graphic design tasks. The code and datasets will be publicly available on https://github.com/posterllava/PosterLLaVA.

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.

Current AI-assisted protein design mainly utilizes protein sequential and structural information. Meanwhile, there exists tremendous knowledge curated by humans in the text format describing proteins' high-level properties. Yet, whether the incorporation of such text data can help protein design tasks has not been explored. To bridge this gap, we propose ProteinDT, a multi-modal framework that leverages textual descriptions for protein design. ProteinDT consists of three subsequent steps: ProteinCLAP that aligns the representation of two modalities, a facilitator that generates the protein representation from the text modality, and a decoder that generates the protein sequences from the representation. To train ProteinDT, we construct a large dataset, SwissProtCLAP, with 441K text and protein pairs. We empirically verify the effectiveness of ProteinDT from three aspects: (1) consistently superior performance on four out of six protein property prediction benchmarks; (2) over 90% accuracy for text-guided protein generation; and (3) promising results for zero-shot text-guided protein editing.

Over the past decade, machine learning has revolutionized computers' ability to analyze text through flexible computational models. Due to their structural similarity to written language, transformer-based architectures have also shown promise as tools to make sense of a range of multi-variate sequences from protein-structures, music, electronic health records to weather-forecasts. We can also represent human lives in a way that shares this structural similarity to language. From one perspective, lives are simply sequences of events: People are born, visit the pediatrician, start school, move to a new location, get married, and so on. Here, we exploit this similarity to adapt innovations from natural language processing to examine the evolution and predictability of human lives based on detailed event sequences. We do this by drawing on arguably the most comprehensive registry data in existence, available for an entire nation of more than six million individuals across decades. Our data include information about life-events related to health, education, occupation, income, address, and working hours, recorded with day-to-day resolution. We create embeddings of life-events in a single vector space showing that this embedding space is robust and highly structured. Our models allow us to predict diverse outcomes ranging from early mortality to personality nuances, outperforming state-of-the-art models by a wide margin. Using methods for interpreting deep learning models, we probe the algorithm to understand the factors that enable our predictions. Our framework allows researchers to identify new potential mechanisms that impact life outcomes and associated possibilities for personalized interventions.