Retrieval-Augmented Generation

Recent advancements in conversational large language models (LLMs), such as ChatGPT, have demonstrated remarkable promise in various domains, including drug discovery. However, existing works mainly focus on investigating the capabilities of conversational LLMs on chemical reactions and retrosynthesis. While drug editing, a critical task in the drug discovery pipeline, remains largely unexplored. To bridge this gap, we propose ChatDrug, a framework to facilitate the systematic investigation of drug editing using LLMs. ChatDrug jointly leverages a prompt module, a retrieval and domain feedback module, and a conversation module to streamline effective drug editing. We empirically show that ChatDrug reaches the best performance on all 39 drug editing tasks, encompassing small molecules, peptides, and proteins. We further demonstrate, through 10 case studies, that ChatDrug can successfully identify the key substructures for manipulation, generating diverse and valid suggestions for drug editing. Promisingly, we also show that ChatDrug can offer insightful explanations from a domain-specific perspective, enhancing interpretability and enabling informed decision-making.

Extending the context window of large language models (LLMs) is getting popular recently, while the solution of augmenting LLMs with retrieval has existed for years. The natural questions are: i) Retrieval-augmentation versus long context window, which one is better for downstream tasks? ii) Can both methods be combined to get the best of both worlds? In this work, we answer these questions by studying both solutions using two state-of-the-art pretrained LLMs, i.e., a proprietary 43B GPT and Llama2-70B. Perhaps surprisingly, we find that LLM with 4K context window using simple retrieval-augmentation at generation can achieve comparable performance to finetuned LLM with 16K context window via positional interpolation on long context tasks, while taking much less computation. More importantly, we demonstrate that retrieval can significantly improve the performance of LLMs regardless of their extended context window sizes. Our best model, retrieval-augmented Llama2-70B with 32K context window, outperforms GPT-3.5-turbo-16k and Davinci003 in terms of average score on nine long context tasks including question answering, query-based summarization, and in-context few-shot learning tasks. It also outperforms its non-retrieval Llama2-70B-32k baseline by a margin, while being much faster at generation. Our study provides general insights on the choice of retrieval-augmentation versus long context extension of LLM for practitioners.

The legality of training language models (LMs) on copyrighted or otherwise restricted data is under intense debate. However, as we show, model performance significantly degrades if trained only on low-risk text (e.g., out-of-copyright books or government documents), due to its limited size and domain coverage. We present SILO, a new language model that manages this risk-performance tradeoff during inference. SILO is built by (1) training a parametric LM on the Open License Corpus (OLC), a new corpus we curate with 228B tokens of public domain and permissively licensed text and (2) augmenting it with a more general and easily modifiable nonparametric datastore (e.g., containing copyrighted books or news) that is only queried during inference. The datastore allows use of high-risk data without training on it, supports sentence-level data attribution, and enables data producers to opt out from the model by removing content from the store. These capabilities can foster compliance with data-use regulations such as the fair use doctrine in the United States and the GDPR in the European Union. Our experiments show that the parametric LM struggles on its own with domains not covered by OLC. However, access to the datastore greatly improves out of domain performance, closing 90% of the performance gap with an LM trained on the Pile, a more diverse corpus with mostly high-risk text. We also analyze which nonparametric approach works best, where the remaining errors lie, and how performance scales with datastore size. Our results suggest that it is possible to build high quality language models while mitigating legal risk.

Generating a set of text is a common challenge for many NLP applications, for example, automatically providing multiple keyphrases for a document to facilitate user reading. Existing generative models use a sequential decoder that generates a single sequence successively, and the set generation problem is converted to sequence generation via concatenating multiple text into a long text sequence. However, the elements of a set are unordered, which makes this scheme suffer from biased or conflicting training signals. In this paper, we propose a branching decoder, which can generate a dynamic number of tokens at each time-step and branch multiple generation paths. In particular, paths are generated individually so that no order dependence is required. Moreover, multiple paths can be generated in parallel which greatly reduces the inference time. Experiments on several keyphrase generation datasets demonstrate that the branching decoder is more effective and efficient than the existing sequential decoder.

Deep learning (DL) models for tabular data problems (e.g. classification, regression) are currently receiving increasingly more attention from researchers. However, despite the recent efforts, the non-DL algorithms based on gradient-boosted decision trees (GBDT) remain a strong go-to solution for these problems. One of the research directions aimed at improving the position of tabular DL involves designing so-called retrieval-augmented models. For a target object, such models retrieve other objects (e.g. the nearest neighbors) from the available training data and use their features and labels to make a better prediction. In this work, we present TabR -- essentially, a feed-forward network with a custom k-Nearest-Neighbors-like component in the middle. On a set of public benchmarks with datasets up to several million objects, TabR marks a big step forward for tabular DL: it demonstrates the best average performance among tabular DL models, becomes the new state-of-the-art on several datasets, and even outperforms GBDT models on the recently proposed "GBDT-friendly" benchmark (see Figure 1). Among the important findings and technical details powering TabR, the main ones lie in the attention-like mechanism that is responsible for retrieving the nearest neighbors and extracting valuable signal from them. In addition to the higher performance, TabR is simple and significantly more efficient compared to prior retrieval-based tabular DL models.

Standard language models generate text by selecting tokens from a fixed, finite, and standalone vocabulary. We introduce a novel method that selects context-aware phrases from a collection of supporting documents. One of the most significant challenges for this paradigm shift is determining the training oracles, because a string of text can be segmented in various ways and each segment can be retrieved from numerous possible documents. To address this, we propose to initialize the training oracles using linguistic heuristics and, more importantly, bootstrap the oracles through iterative self-reinforcement. Extensive experiments show that our model not only outperforms standard language models on a variety of knowledge-intensive tasks but also demonstrates improved generation quality in open-ended text generation. For instance, compared to the standard language model counterpart, our model raises the accuracy from 23.47% to 36.27% on OpenbookQA, and improves the MAUVE score from 42.61% to 81.58% in open-ended text generation. Remarkably, our model also achieves the best performance and the lowest latency among several retrieval-augmented baselines. In conclusion, we assert that retrieval is more accurate generation and hope that our work will encourage further research on this new paradigm shift.

Retrieval-augmented language models improve language models (LMs) by retrieving documents and prepending them in-context. However, these documents, often spanning hundreds of words, make inference substantially less efficient. We propose compressing the retrieved documents into textual summaries prior to in-context integration. This not only reduces the computational costs but also relieve the burden of LMs to identify relevant information in long retrieved documents. We present two compressors -- an extractive compressor which selects useful sentences from retrieved documents and an abstractive compressor which generates summary by synthesizing information from multiple documents. Both are trained to achieve performance gain in LMs when we prepend the generated summary from the compressor to LMs' input, while minimizing the summary length. When retrieved documents are irrelevant to the input or offer no additional information to LM, our compressors output an empty string, enabling selective augmentation. We evaluate our approach on the language modeling task and open domain question answering task. We achieve a compression rate of as low as 6% with minimal loss in performance for both tasks, significantly outperforming the off-the-shelf summarization models. We show that our compressors trained for one LM can transfer to other LMs on the language modeling task and provide a summary largely faithful to the retrieved documents.

The Learning-to-match (LTM) framework proves to be an effective inverse optimal transport approach for learning the underlying ground metric between two sources of data, facilitating subsequent matching. However, the conventional LTM framework faces scalability challenges, necessitating the use of the entire dataset each time the parameters of the ground metric are updated. In adapting LTM to the deep learning context, we introduce the mini-batch Learning-to-match (m-LTM) framework for audio-text retrieval problems. This framework leverages mini-batch subsampling and Mahalanobis-enhanced family of ground metrics. Moreover, to cope with misaligned training data in practice, we propose a variant using partial optimal transport to mitigate the harm of misaligned data pairs in training data. We conduct extensive experiments on audio-text matching problems using three datasets: AudioCaps, Clotho, and ESC-50. Results demonstrate that our proposed method is capable of learning rich and expressive joint embedding space, which achieves SOTA performance. Beyond this, the proposed m-LTM framework is able to close the modality gap across audio and text embedding, which surpasses both triplet and contrastive loss in the zero-shot sound event detection task on the ESC-50 dataset. Notably, our strategy of employing partial optimal transport with m-LTM demonstrates greater noise tolerance than contrastive loss, especially under varying noise ratios in training data on the AudioCaps dataset. Our code is available at https://github.com/v-manhlt3/m-LTM-Audio-Text-Retrieval

Contrastive learning, while highly effective for a lot of tasks, shows limited improvement in ordinal regression. We find that the limitation comes from the predefined strong data augmentations employed in contrastive learning. Intuitively, for ordinal regression datasets, the discriminative information (ordinal content information) contained in instances is subtle. The strong augmentations can easily overshadow or diminish this ordinal content information. As a result, when contrastive learning is used to extract common features between weakly and strongly augmented images, the derived features often lack this essential ordinal content, rendering them less useful in training models for ordinal regression. To improve contrastive learning's utility for ordinal regression, we propose a novel augmentation method to replace the predefined strong argumentation based on the principle of minimal change. Our method is designed in a generative manner that can effectively generate images with different styles but contains desired ordinal content information. Extensive experiments validate the effectiveness of our proposed method, which serves as a plug-and-play solution and consistently improves the performance of existing state-of-the-art methods in ordinal regression tasks.

Foundational models with billions of parameters which have been trained on large corpus of data have demonstrated non-trivial skills in a variety of domains. However, due to their monolithic structure, it is challenging and expensive to augment them or impart new skills. On the other hand, due to their adaptation abilities,several new instances of these models are being trained towards new domains and tasks. In this work, we study the problem of efficient and practical composition of existing foundation models with more specific models to enable newer capabilities. To this end, we propose CALM—Composition to Augment Language Models—which introduces cross-attention between models to compose their representations and enable new capabilities. Salient features of CALM are: (i) Scales up LLMs on new tasks by ‘re-using’ existing LLMs along with a few additional parameters and data, (ii) Existing model weights are kept intact, and hence preserves existing capabilities, and (iii) Applies to diverse domains and settings. We illustrate that augmenting PaLM2-S with a smaller model trained on low-resource languages results in an absolute improvement of up to 13% on tasks like translation into English and arithmetic reasoning for low-resource languages. Similarly,when PaLM2-S is augmented with a code-specific model, we see a relative improvement of 40% over the base model for code generation and explanation tasks—on-par with fully fine-tuned counterparts.

With the decline of Moore's law, optimizing program performance has become a major focus of software research. However, high-level optimizations such as API and algorithm changes remain elusive due to the difficulty of understanding the semantics of code. Simultaneously, pretrained large language models (LLMs) have demonstrated strong capabilities at solving a wide range of programming tasks. To that end, we introduce a framework for adapting LLMs to high-level program optimization. First, we curate a dataset of performance-improving edits made by human programmers of over 77,000 competitive C++ programming submission pairs, accompanied by extensive unit tests. A major challenge is the significant variability of measuring performance on commodity hardware, which can lead to spurious "improvements." To isolate and reliably evaluate the impact of program optimizations, we design an environment based on the gem5 full system simulator, the de facto simulator used in academia and industry. Next, we propose a broad range of adaptation strategies for code optimization; for prompting, these include retrieval-based few-shot prompting and chain-of-thought, and for finetuning, these include performance-conditioned generation and synthetic data augmentation based on self-play. A combination of these techniques achieves a mean speedup of 6.86$\times$ with eight generations, higher than average optimizations from individual programmers (3.66$\times$). Using our model's fastest generations, we set a new upper limit on the fastest speedup possible for our dataset at 9.64$\times$ compared to using the fastest human submissions available (9.56$\times$).

Event camera, a novel bio-inspired vision sensor, has drawn a lot of attention for its low latency, low power consumption, and high dynamic range. Currently, overfitting remains a critical problem in event-based classification tasks for Spiking Neural Network (SNN) due to its relatively weak spatial representation capability. Data augmentation is a simple but efficient method to alleviate overfitting and improve the generalization ability of neural networks, and saliency-based augmentation methods are proven to be effective in the image processing field. However, there is no approach available for extracting saliency maps from SNNs. Therefore, for the first time, we present Spiking Layer-Time-wise Relevance Propagation rule (SLTRP) and Spiking Layer-wise Relevance Propagation rule (SLRP) in order for SNN to generate stable and accurate CAMs and saliency maps. Based on this, we propose EventRPG, which leverages relevance propagation on the spiking neural network for more efficient augmentation. Our proposed method has been evaluated on several SNN structures, achieving state-of-the-art performance in object recognition tasks including N-Caltech101, CIFAR10-DVS, with accuracies of 85.62% and 85.55%, as well as action recognition task SL-Animals with an accuracy of 91.59%. Our code is available at https://github.com/myuansun/EventRPG.

Despite their remarkable capabilities, large language models (LLMs) often produce responses containing factual inaccuracies due to their sole reliance on the parametric knowledge they encapsulate. Retrieval-Augmented Generation (RAG), an ad hoc approach that augments LMs with retrieval of relevant knowledge, decreases such issues. However, indiscriminately retrieving and incorporating a fixed number of retrieved passages, regardless of whether retrieval is necessary, or passages are relevant, diminishes LM versatility or can lead to unhelpful response generation. We introduce a new framework called **Self-Reflective Retrieval-Augmented Generation (Self-RAG)** that enhances an LM's quality and factuality through retrieval and self-reflection. Our framework trains a single arbitrary LM that adaptively retrieves passages on-demand, and generates and reflects on retrieved passages and its generations using special tokens, called {\it reflection} tokens. Generating reflection tokens makes the LM controllable during the inference phase, enabling it to tailor its behavior to diverse task requirements. Experiments show that Self-RAG (7B and 13B parameters) significantly outperforms state-of-the-art LLMs and retrieval-augmented models on a diverse set of tasks. Specifically, Self-RAG outperforms ChatGPT and retrieval-augmented Llama2-chat on Open-domain QA, reasoning, and fact verification tasks, and it shows significant gains in improving factuality and citation accuracy for long-form generations relative to these models. Our code and trained models are available at https://selfrag.github.io/

We study the ability of state-of-the art models to answer constraint satisfaction queries for information retrieval (e.g., “a list of ice cream shops in San Diego”). In the past, such queries were considered as tasks that could only be solved via web-search or knowledge bases. More recently, large language models (LLMs) have demonstrated initial emergent abilities in this task. However, many current retrieval benchmarks are either saturated or do not measure constraint satisfaction. Motivated by rising concerns around factual incorrectness and hallucinations of LLMs, we present KITAB, a new dataset for measuring constraint satisfaction abilities of language models. KITAB consists of book-related data across more than 600 authors and 13,000 queries, and also offers an associated dynamic data collection and constraint verification approach for acquiring similar test data for other authors. Our extended experiments on GPT4 and GPT3.5 characterize and decouple common failure modes across dimensions such as information popularity, constraint types, and context availability. Results show that in the absence of context, models exhibit severe limitations as measured by irrelevant information, factual errors, and incompleteness, many of which exacerbate as information popularity decreases. While context availability mitigates irrelevant information, it is not helpful for satisfying constraints, identifying fundamental barriers to constraint satisfaction. We open source our contributions to foster further research on improving constraint satisfaction abilities of future models.

By providing external information to large language models (LLMs), tool augmentation (including retrieval augmentation) has emerged as a promising solution for addressing the limitations of LLMs' static parametric memory. However, how receptive are LLMs to such external evidence, especially when the evidence conflicts with their parametric memory? We present the first comprehensive and controlled investigation into the behavior of LLMs when encountering knowledge conflicts. We propose a systematic framework to elicit high-quality parametric memory from LLMs and construct the corresponding counter-memory, which enables us to conduct a series of controlled experiments. Our investigation reveals seemingly contradicting behaviors of LLMs. On the one hand, different from prior wisdom, we find that LLMs can be highly receptive to external evidence even when that conflicts with their parametric memory, given that the external evidence is coherent and convincing. On the other hand, LLMs also demonstrate a strong confirmation bias when the external evidence contains some information that is consistent with their parametric memory, despite being presented with conflicting evidence at the same time. These results pose important implications that are worth careful consideration for the further development and deployment of tool- and retrieval-augmented LLMs. Resources are available at https://github.com/OSU-NLP-Group/LLM-Knowledge-Conflict.

Disentangled representation learning remains challenging as the underlying factors of variation in the data do not naturally exist. The inherent complexity of real-world data makes it unfeasible to exhaustively enumerate and encapsulate all its variations within a finite set of factors. However, it is worth noting that most real-world data have linguistic equivalents, typically in the form of textual descriptions. These linguistic counterparts can represent the data and effortlessly decomposed into distinct tokens. In light of this, we present Vocabulary Disentangled Retrieval (VDR), a retrieval-based framework that harnesses natural language as proxies of the underlying data variation to drive disentangled representation learning. Our approach employ a bi-encoder model to represent both data and natural language in a vocabulary space, enabling the model to distinguish dimensions that capture intrinsic characteristics within data through its natural language counterpart, thus facilitating disentanglement. We extensively assess the performance of VDR across 15 retrieval benchmark datasets, covering text-to-text and cross-modal retrieval scenarios, as well as human evaluation. Our experimental results compellingly demonstrate the superiority of VDR over previous bi-encoder retrievers with comparable model size and training costs, achieving an impressive 8.7% improvement in NDCG@10 on the BEIR benchmark, a 5.3\% increase on MS COCO, and a 6.0% increase on Flickr30k in terms of mean recall in the zero-shot setting. Moreover, The results from human evaluation indicate that interpretability of our method is on par with SOTA captioning models.

Retrieval-augmented language models (RALMs) hold promise to produce language understanding systems that are are factual, efficient, and up-to-date. An important desideratum of RALMs, is that retrieved information helps model performance when it is relevant, and does not harm performance when it is not. This is particularly important in multi-hop reasoning scenarios, where misuse of irrelevant evidence can lead to cascading errors. However, recent work has shown that retrieval augmentation can sometimes have a negative effect on performance. In this work, we present a thorough analysis on five open-domain question answering benchmarks, characterizing cases when retrieval reduces accuracy. We then propose two methods to mitigate this issue. First, a simple baseline that filters out retrieved passages that do not entail question-answer pairs according to a natural language inference (NLI) model. This is effective in preventing performance reduction, but at a cost of also discarding relevant passages. Thus, we propose a method for automatically generating data to fine-tune the language model to properly leverage retrieved passages, using a mix of relevant and irrelevant contexts at training time. We empirically show that even 1,000 examples suffice to train the model to be robust to irrelevant contexts while maintaining high performance on examples with relevant ones.

In this paper, we explore the application of mean field theory, a technique from statistical physics, to deep metric learning and address the high training complexity commonly associated with conventional metric learning loss functions. By adapting mean field theory for deep metric learning, we develop an approach to design classification-based loss functions from pair-based ones, which can be considered complementary to the proxy-based approach. Applying the mean field theory to two pair-based loss functions, we derive two new loss functions, MeanFieldContrastive and MeanFieldClassWiseMultiSimilarity losses, with reduced training complexity. We extensively evaluate these derived loss functions on three image-retrieval datasets and demonstrate that our loss functions outperform baseline methods in two out of the three datasets.

We investigate composed image retrieval with text feedback. Users gradually look for the target of interest by moving from coarse to fine-grained feedback. However, existing methods merely focus on the latter, i.e., fine-grained search, by harnessing positive and negative pairs during training. This pair-based paradigm only considers the one-to-one distance between a pair of specific points, which is not aligned with the one-to-many coarse-grained retrieval process and compromises the recall rate. In an attempt to fill this gap, we introduce a unified learning approach to simultaneously modeling the coarse- and fine-grained retrieval by considering the multi-grained uncertainty. The key idea underpinning the proposed method is to integrate fine- and coarse-grained retrieval as matching data points with small and large fluctuations, respectively. Specifically, our method contains two modules: uncertainty modeling and uncertainty regularization. (1) The uncertainty modeling simulates the multi-grained queries by introducing identically distributed fluctuations in the feature space. (2) Based on the uncertainty modeling, we further introduce uncertainty regularization to adapt the matching objective according to the fluctuation range. Compared with existing methods, the proposed strategy explicitly prevents the model from pushing away potential candidates in the early stage and thus improves the recall rate. On the three public datasets, i.e., FashionIQ, Fashion200k, and Shoes, the proposed method has achieved +4.03%, + 3.38%, and + 2.40% Recall@50 accuracy over a strong baseline, respectively.

Synthetic data (Sim) drawn from simulators have emerged as a popular alternativefor training models where acquiring annotated real-world images is difficult. However, transferring models trained on synthetic images to real-world applicationscan be challenging due to appearance disparities. A commonly employed solution to counter this Sim2Real gap is unsupervised domain adaptation, where models are trained using labeled Sim data and unlabeled Real data. Mispredictions made by such Sim2Real adapted models are often associated with miscalibration – stemming from overconfident predictions on real data. In this paper, we introduce AUGCAL, a simple training-time patch for unsupervised adaptation that improves Sim2Real adapted models by – (1) reducing overall miscalibration, (2) reducing overconfidence in incorrect predictions and (3) improving confidence score reliability by better guiding misclassification detection – all while retaining or improving Sim2Real performance. Given a base Sim2Real adaptation algorithm, at training time, AUGCAL involves replacing vanilla Sim images with strongly augmented views (AUG intervention) and additionally optimizing for a training time calibration loss on augmented Sim predictions (CAL intervention). We motivate AUGCAL using a brief analytical justification of how to reduce miscalibration on unlabeled REAL data. Through our experiments, we empirically show the efficacy of AUGCAL across multiple adaptation methods, backbones, tasks and shifts.