Language Models (LMs) have demonstrated impressive molecule understanding ability on various 1D text-related tasks. However, they inherently lack 2D graph perception - a critical ability of human professionals in comprehending molecules' topological structures. To bridge this gap, we propose MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter. MolCA enables an LM (e.g., Galactica) to understand both text- and graph-based molecular contents via the cross-modal projector. Specifically, the cross-modal projector is implemented as a Q-Former to connect a graph encoder's representation space and an LM's text space. Further, MolCA employs a uni-modal adapter (i.e., LoRA) for the LM's efficient adaptation to downstream tasks. Unlike previous studies that couple an LM with a graph encoder via cross-modal contrastive learning, MolCA retains the LM's ability of open-ended text generation and augments it with 2D graph information. To showcase its effectiveness, we extensively benchmark MolCA on tasks of molecule captioning, IUPAC name prediction, and molecule-text retrieval, on which MolCA significantly outperforms the baselines. Our codes and checkpoints can be found at //github.com/acharkq/MolCA.
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Tool-augmented Large Language Models (TALM) are known to enhance the skillset of large language models (LLM), thereby, leading to their improved reasoning abilities across many tasks. While, TALMs have been successfully employed in different question-answering benchmarks, their efficacy on complex mathematical reasoning benchmarks, and the potential complimentary benefits offered by tools for knowledge retrieval and mathematical equation solving, are open research questions. In this work, we present MATHSENSEI, a tool-augmented large language model for mathematical reasoning. Augmented with tools for knowledge retrieval (Bing Web Search), program execution (Python), and symbolic equation solving (Wolfram-Alpha), we study the complimentary benefits of these tools through evaluations on mathematical reasoning datasets. We perform exhaustive ablations on MATH,a popular dataset for evaluating mathematical reasoning on diverse mathematical disciplines. We also conduct experiments involving well-known tool planners to study the impact of tool sequencing on the model performance. MATHSENSEI achieves 13.5% better accuracy over gpt-3.5-turbo with chain-of-thought on the MATH dataset. We further observe that TALMs are not as effective for simpler math word problems (in GSM-8k), and the benefit increases as the complexity and required knowledge increases (progressively over AQuA, MMLU-Math, and higher level complex questions in MATH). The code and data are available at //github.com/Debrup-61/MathSensei.
Large Language Models (LLMs) have demonstrated remarkable capabilities in solving various tasks, yet they often struggle with comprehensively addressing complex and vague problems. Existing approaches, including multi-agent LLM systems, offer solutions to certain challenges but still require manual setup and lack scalability. To address this gap, we propose a novel approach leveraging decomposition to enable LLMs to tackle vague problems effectively. Our approach involves an orchestrating LLM that interacts with users to understand the problem and then decomposes it into tangible sub-problems. Instead of expecting the LLM to solve the entire problem in one go, we train it to ask follow-up questions to gain a deeper understanding of the user's requirements. Once the problem is adequately understood, the orchestrating LLM divides it into smaller, manageable sub-problems. Each sub-problem is then assigned to specialized LLM agents or non-LLM functions for resolution. These agents work in parallel to solve their respective sub-problems, with the orchestrating LLM overseeing the process and compiling the solutions into a comprehensive answer for the user. By adopting this decomposition approach, we alleviate the constraints imposed by token limitations on LLM outputs and empower them to provide nuanced solutions to complex and ambiguous problems. Through our approach, we aim to enable LLMs to think and operate more like humans, breaking down complex problems into manageable parts and collaboratively solving them. This not only enhances the problem-solving capabilities of LLMs but also offers a scalable and efficient method for addressing a wide range of real-world challenges.
Automated Program Repair (APR) has evolved significantly with the advent of Large Language Models (LLMs). Fine-tuning LLMs for program repair is a recent avenue of research, with many dimensions which have not been explored. Existing work mostly fine-tunes LLMs with naive code representations and is fundamentally limited in its ability to fine-tune larger LLMs. To address this problem, we propose RepairLLaMA, a novel program repair approach that combines 1) code representations for APR and 2) the state-of-the-art parameter-efficient LLM fine-tuning technique called LoRA. This results in RepairLLaMA producing a highly effective `program repair adapter' for fixing bugs with language models. Our experiments demonstrate the validity of both concepts. First, fine-tuning adapters with program repair specific code representations enables the model to use meaningful repair signals. Second, parameter-efficient fine-tuning helps fine-tuning to converge and contributes to the effectiveness of the repair adapter to fix data-points outside the fine-tuning data distribution. Overall, RepairLLaMA correctly fixes 125 Defects4J v2 and 82 HumanEval-Java bugs, outperforming all baselines.
Retrieval Augmented Generation (RAG) has emerged as an effective solution for mitigating hallucinations in Large Language Models (LLMs). The retrieval stage in RAG typically involves a pre-trained embedding model, which converts queries and passages into vectors to capture their semantics. However, a standard pre-trained embedding model may exhibit sub-optimal performance when applied to specific domain knowledge, necessitating fine-tuning. This paper addresses scenarios where the embeddings are only available from a black-box model. We introduce Model augmented fine-tuning (Mafin) -- a novel approach for fine-tuning a black-box embedding model by augmenting it with a trainable embedding model. Our results demonstrate that Mafin significantly enhances the performance of the black-box embeddings by only requiring the training of a small augmented model. We validate the effectiveness of our method on both labeled and unlabeled datasets, illustrating its broad applicability and efficiency.
Large Language Models (LLMs), including GPT-x and LLaMA2, have achieved remarkable performance in multiple Natural Language Processing (NLP) tasks. Under the premise that protein sequences constitute the protein language, Protein Large Language Models (ProLLMs) trained on protein corpora excel at de novo protein sequence generation. However, as of now, unlike LLMs in NLP, no ProLLM is capable of multiple tasks in the Protein Language Processing (PLP) field. This prompts us to delineate the inherent limitations in current ProLLMs: (i) the lack of natural language capabilities, (ii) insufficient instruction understanding, and (iii) high training resource demands. To address these challenges, we introduce a training framework to transform any general LLM into a ProLLM capable of handling multiple PLP tasks. Specifically, our framework utilizes low-rank adaptation and employs a two-stage training approach, and it is distinguished by its universality, low overhead, and scalability. Through training under this framework, we propose the ProLLaMA model, the first known ProLLM to handle multiple PLP tasks simultaneously. Experiments show that ProLLaMA achieves state-of-the-art results in the unconditional protein sequence generation task. In the controllable protein sequence generation task, ProLLaMA can design novel proteins with desired functionalities. In the protein property prediction task, ProLLaMA achieves nearly 100\% accuracy across many categories. The latter two tasks are beyond the reach of other ProLLMs. Code is available at \url{//github.com/Lyu6PosHao/ProLLaMA}.
The training paradigm of DETRs is heavily contingent upon pre-training their backbone on the ImageNet dataset. However, the limited supervisory signals provided by the image classification task and one-to-one matching strategy result in an inadequately pre-trained neck for DETRs. Additionally, the instability of matching in the early stages of training engenders inconsistencies in the optimization objectives of DETRs. To address these issues, we have devised an innovative training methodology termed step-by-step training. Specifically, in the first stage of training, we employ a classic detector, pre-trained with a one-to-many matching strategy, to initialize the backbone and neck of the end-to-end detector. In the second stage of training, we froze the backbone and neck of the end-to-end detector, necessitating the training of the decoder from scratch. Through the application of step-by-step training, we have introduced the first real-time end-to-end object detection model that utilizes a purely convolutional structure encoder, DETR with YOLO (DEYO). Without reliance on any supplementary training data, DEYO surpasses all existing real-time object detectors in both speed and accuracy. Moreover, the comprehensive DEYO series can complete its second-phase training on the COCO dataset using a single 8GB RTX 4060 GPU, significantly reducing the training expenditure. Source code and pre-trained models are available at //github.com/ouyanghaodong/DEYO.
Recent advances in instruction-tuned Large Vision-Language Models (LVLMs) have imbued the models with the ability to generate high-level, image-grounded explanations with ease. While such capability is largely attributed to the rich world knowledge contained within the Large Language Models (LLMs), our work reveals their shortcomings in fine-grained visual categorization (FGVC) across six different benchmark settings. Most recent state-of-the-art LVLMs like LLaVa-1.5, InstructBLIP and GPT-4V not only severely deteriorate in terms of classification performance, e.g., average drop of 65.58 in EM for Stanford Dogs for LLaVA-1.5, but also struggle to generate an accurate explanation with detailed attributes based on the concept that appears within an input image despite their capability to generate holistic image-level descriptions. In-depth analyses show that instruction-tuned LVLMs exhibit modality gap, showing discrepancy when given textual and visual inputs that correspond to the same concept, preventing the image modality from leveraging the rich parametric knowledge within the LLMs. In an effort to further the community's endeavor in this direction, we propose a multiple granularity attribute-centric evaluation benchmark, Finer, which aims to establish a ground to evaluate LVLMs' fine-grained visual comprehension ability and provide significantly improved explainability.
There is a growing need for Large Language Models (LLMs) to effectively use tools and external Application Programming Interfaces (APIs) to plan and complete tasks. As such, there is tremendous interest in methods that can acquire sufficient quantities of train and test data that involve calls to tools / APIs. Two lines of research have emerged as the predominant strategies for addressing this challenge. The first has focused on synthetic data generation techniques, while the second has involved curating task-adjacent datasets which can be transformed into API / Tool-based tasks. In this paper, we focus on the task of identifying, curating, and transforming existing datasets and, in turn, introduce API-BLEND, a large corpora for training and systematic testing of tool-augmented LLMs. The datasets mimic real-world scenarios involving API-tasks such as API / tool detection, slot filling, and sequencing of the detected APIs. We demonstrate the utility of the API-BLEND dataset for both training and benchmarking purposes.
Critique ability are crucial in the scalable oversight and self-improvement of Large Language Models (LLMs). While many recent studies explore the critique ability of LLMs to judge and refine flaws in generations, how to comprehensively and reliably measure the critique abilities of LLMs is under-explored. This paper introduces CriticBench, a novel benchmark designed to comprehensively and reliably evaluate four key critique ability dimensions of LLMs: feedback, comparison, refinement and meta-feedback. CriticBench encompasses nine diverse tasks, each assessing the LLMs' ability to critique responses at varying levels of quality granularity. Our extensive evaluations of open-source and closed-source LLMs reveal intriguing relationships between the critique ability and tasks, response qualities, and model scales. Datasets, resources and evaluation toolkit for CriticBench will be publicly released at //github.com/open-compass/CriticBench.
Making sense of unstructured text datasets is perennially difficult, yet increasingly relevant with Large Language Models. Data workers often rely on dataset summaries, especially distributions of various derived features. Some features, like toxicity or topics, are relevant to many datasets, but many interesting features are domain specific: instruments and genres for a music dataset, or diseases and symptoms for a medical dataset. Accordingly, data workers often run custom analyses for each dataset, which is cumbersome and difficult. We present AutoHistograms, a visualization tool leveragingLLMs. AutoHistograms automatically identifies relevant features, visualizes them with histograms, and allows the user to interactively query the dataset for categories of entities and create new histograms. In a user study with 10 data workers (n=10), we observe that participants can quickly identify insights and explore the data using AutoHistograms, and conceptualize a broad range of applicable use cases. Together, this tool and user study contributeto the growing field of LLM-assisted sensemaking tools.
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