Daily Papers

Large Language Models (LLMs) have shown growing potential in molecular sciences, but they often produce chemically inaccurate descriptions and struggle to recognize or justify potential errors. This raises important concerns about their robustness and reliability in scientific applications. To support more rigorous evaluation of LLMs in chemical reasoning, we present the MolErr2Fix benchmark, designed to assess LLMs on error detection and correction in molecular descriptions. Unlike existing benchmarks focused on molecule-to-text generation or property prediction, MolErr2Fix emphasizes fine-grained chemical understanding. It tasks LLMs with identifying, localizing, explaining, and revising potential structural and semantic errors in molecular descriptions. Specifically, MolErr2Fix consists of 1,193 fine-grained annotated error instances. Each instance contains quadruple annotations, i.e,. (error type, span location, the explanation, and the correction). These tasks are intended to reflect the types of reasoning and verification required in real-world chemical communication. Evaluations of current state-of-the-art LLMs reveal notable performance gaps, underscoring the need for more robust chemical reasoning capabilities. MolErr2Fix provides a focused benchmark for evaluating such capabilities and aims to support progress toward more reliable and chemically informed language models. All annotations and an accompanying evaluation API will be publicly released to facilitate future research.

Context: Bugs in code are inevitable and can lead to severe consequences, ranging from security vulnerabilities to operational failures. Debugging software remains challenging despite advances in testing and verification, often requiring extensive manual effort. Learning-based automated program repair (APR) has shown promise in reducing the time, effort, and cost of manually fixing bugs. However, existing techniques face several challenges, including language-dependent strategies, limited bug context utilization, and difficulties in handling bugs that span multiple locations in the code. Objective: This paper introduces MultiMend, a learning-based APR approach designed to improve repair performance on multiple programming languages with language-independent context augmentation and multi-hunk patch generation. Method: MultiMend fine-tunes a pre-trained encoder-decoder transformer model (CodeT5) to generate bug-fixing patches. It embeds source code lines and applies retrieval-augmented generation to augment the buggy context with relevant lines during patch generation. The approach systematically constructs patches for multi-hunk bugs to reduce the needed patch validations. We evaluate MultiMend on four benchmarks with four programming languages and compare it with state-of-the-art methods. Results: Experimental results show that MultiMend achieves competitive effectiveness and efficiency against compared tools. Across all benchmarks, MultiMend fixes 2,077 bugs, of which 1,455 are identical to the developer's patch, and 106 are for multi-hunk bugs. Both context augmentation and multi-hunk patch generation positively contribute to the results. Conclusion: MultiMend shows promising performance across benchmarks. The findings highlight its applicability to real-world software maintenance and its potential to reduce manual debugging efforts.

We introduce Kosmos-2, a Multimodal Large Language Model (MLLM), enabling new capabilities of perceiving object descriptions (e.g., bounding boxes) and grounding text to the visual world. Specifically, we represent refer expressions as links in Markdown, i.e., ``[text span](bounding boxes)'', where object descriptions are sequences of location tokens. Together with multimodal corpora, we construct large-scale data of grounded image-text pairs (called GrIT) to train the model. In addition to the existing capabilities of MLLMs (e.g., perceiving general modalities, following instructions, and performing in-context learning), Kosmos-2 integrates the grounding capability into downstream applications. We evaluate Kosmos-2 on a wide range of tasks, including (i) multimodal grounding, such as referring expression comprehension, and phrase grounding, (ii) multimodal referring, such as referring expression generation, (iii) perception-language tasks, and (iv) language understanding and generation. This work lays out the foundation for the development of Embodiment AI and sheds light on the big convergence of language, multimodal perception, action, and world modeling, which is a key step toward artificial general intelligence. Data, demo, and pretrained models are available at https://aka.ms/kosmos-2.

We present Spann3R, a novel approach for dense 3D reconstruction from ordered or unordered image collections. Built on the DUSt3R paradigm, Spann3R uses a transformer-based architecture to directly regress pointmaps from images without any prior knowledge of the scene or camera parameters. Unlike DUSt3R, which predicts per image-pair pointmaps each expressed in its local coordinate frame, Spann3R can predict per-image pointmaps expressed in a global coordinate system, thus eliminating the need for optimization-based global alignment. The key idea of Spann3R is to manage an external spatial memory that learns to keep track of all previous relevant 3D information. Spann3R then queries this spatial memory to predict the 3D structure of the next frame in a global coordinate system. Taking advantage of DUSt3R's pre-trained weights, and further fine-tuning on a subset of datasets, Spann3R shows competitive performance and generalization ability on various unseen datasets and can process ordered image collections in real time. Project page: https://hengyiwang.github.io/projects/spanner

The common practice in coreference resolution is to identify and evaluate the maximum span of mentions. The use of maximum spans tangles coreference evaluation with the challenges of mention boundary detection like prepositional phrase attachment. To address this problem, minimum spans are manually annotated in smaller corpora. However, this additional annotation is costly and therefore, this solution does not scale to large corpora. In this paper, we propose the MINA algorithm for automatically extracting minimum spans to benefit from minimum span evaluation in all corpora. We show that the extracted minimum spans by MINA are consistent with those that are manually annotated by experts. Our experiments show that using minimum spans is in particular important in cross-dataset coreference evaluation, in which detected mention boundaries are noisier due to domain shift. We will integrate MINA into https://github.com/ns-moosavi/coval for reporting standard coreference scores based on both maximum and automatically detected minimum spans.

Cross-view geo-localization identifies the locations of street-view images by matching them with geo-tagged satellite images or OSM. However, most existing studies focus on image-to-image retrieval, with fewer addressing text-guided retrieval, a task vital for applications like pedestrian navigation and emergency response. In this work, we introduce a novel task for cross-view geo-localization with natural language descriptions, which aims to retrieve corresponding satellite images or OSM database based on scene text descriptions. To support this task, we construct the CVG-Text dataset by collecting cross-view data from multiple cities and employing a scene text generation approach that leverages the annotation capabilities of Large Multimodal Models to produce high-quality scene text descriptions with localization details. Additionally, we propose a novel text-based retrieval localization method, CrossText2Loc, which improves recall by 10% and demonstrates excellent long-text retrieval capabilities. In terms of explainability, it not only provides similarity scores but also offers retrieval reasons. More information can be found at https://yejy53.github.io/CVG-Text/ .

Recent coreference resolution models rely heavily on span representations to find coreference links between word spans. As the number of spans is O(n^2) in the length of text and the number of potential links is O(n^4), various pruning techniques are necessary to make this approach computationally feasible. We propose instead to consider coreference links between individual words rather than word spans and then reconstruct the word spans. This reduces the complexity of the coreference model to O(n^2) and allows it to consider all potential mentions without pruning any of them out. We also demonstrate that, with these changes, SpanBERT for coreference resolution will be significantly outperformed by RoBERTa. While being highly efficient, our model performs competitively with recent coreference resolution systems on the OntoNotes benchmark.

We present SpanBERT, a pre-training method that is designed to better represent and predict spans of text. Our approach extends BERT by (1) masking contiguous random spans, rather than random tokens, and (2) training the span boundary representations to predict the entire content of the masked span, without relying on the individual token representations within it. SpanBERT consistently outperforms BERT and our better-tuned baselines, with substantial gains on span selection tasks such as question answering and coreference resolution. In particular, with the same training data and model size as BERT-large, our single model obtains 94.6% and 88.7% F1 on SQuAD 1.1 and 2.0, respectively. We also achieve a new state of the art on the OntoNotes coreference resolution task (79.6\% F1), strong performance on the TACRED relation extraction benchmark, and even show gains on GLUE.

We investigate the CLIP image encoder by analyzing how individual model components affect the final representation. We decompose the image representation as a sum across individual image patches, model layers, and attention heads, and use CLIP's text representation to interpret the summands. Interpreting the attention heads, we characterize each head's role by automatically finding text representations that span its output space, which reveals property-specific roles for many heads (e.g. location or shape). Next, interpreting the image patches, we uncover an emergent spatial localization within CLIP. Finally, we use this understanding to remove spurious features from CLIP and to create a strong zero-shot image segmenter. Our results indicate that a scalable understanding of transformer models is attainable and can be used to repair and improve models.

We present ReCAT, a recursive composition augmented Transformer that is able to explicitly model hierarchical syntactic structures of raw texts without relying on gold trees during both learning and inference. Existing research along this line restricts data to follow a hierarchical tree structure and thus lacks inter-span communications. To overcome the problem, we propose a novel contextual inside-outside (CIO) layer that learns contextualized representations of spans through bottom-up and top-down passes, where a bottom-up pass forms representations of high-level spans by composing low-level spans, while a top-down pass combines information inside and outside a span. By stacking several CIO layers between the embedding layer and the attention layers in Transformer, the ReCAT model can perform both deep intra-span and deep inter-span interactions, and thus generate multi-grained representations fully contextualized with other spans. Moreover, the CIO layers can be jointly pre-trained with Transformers, making ReCAT enjoy scaling ability, strong performance, and interpretability at the same time. We conduct experiments on various sentence-level and span-level tasks. Evaluation results indicate that ReCAT can significantly outperform vanilla Transformer models on all span-level tasks and baselines that combine recursive networks with Transformers on natural language inference tasks. More interestingly, the hierarchical structures induced by ReCAT exhibit strong consistency with human-annotated syntactic trees, indicating good interpretability brought by the CIO layers.