Rotation and Permutation for Advanced Outlier Management and Efficient Quantization of LLMs

Quantizing large language models (LLMs) presents significant challenges, primarily due to outlier activations that compromise the efficiency of low-bit representation. Traditional approaches mainly focus on solving Normal Outliers-activations with consistently high magnitudes across all tokens. However, these techniques falter when dealing with Massive Outliers, which are significantly higher in value and often cause substantial performance losses during low-bit quantization. In this study, we propose DuQuant, an innovative quantization strategy employing rotation and permutation transformations to more effectively eliminate both types of outliers. Initially, DuQuant constructs rotation matrices informed by specific outlier dimensions, redistributing these outliers across adjacent channels within different rotation blocks. Subsequently, a zigzag permutation is applied to ensure a balanced distribution of outliers among blocks, minimizing block-wise variance. An additional rotation further enhances the smoothness of the activation landscape, thereby improving model performance. DuQuant streamlines the quantization process and demonstrates superior outlier management, achieving top-tier results in multiple tasks with various LLM architectures even under 4-bit weight-activation quantization. Our code is available at https://github.com/Hsu1023/DuQuant.

Benchmarking and Improving Compositional Generalization of Multi-aspect Controllable Text Generation

Compositional generalization, representing the model's ability to generate text with new attribute combinations obtained by recombining single attributes from the training data, is a crucial property for multi-aspect controllable text generation (MCTG) methods. Nonetheless, a comprehensive compositional generalization evaluation benchmark of MCTG is still lacking. We propose CompMCTG, a benchmark encompassing diverse multi-aspect labeled datasets and a crafted three-dimensional evaluation protocol, to holistically evaluate the compositional generalization of MCTG approaches. We observe that existing MCTG works generally confront a noticeable performance drop in compositional testing. To mitigate this issue, we introduce Meta-MCTG, a training framework incorporating meta-learning, where we enable models to learn how to generalize by simulating compositional generalization scenarios in the training phase. We demonstrate the effectiveness of Meta-MCTG through achieving obvious improvement (by at most 3.64%) for compositional testing performance in 94.4% cases.

Unleashing the Power of Meta-tuning for Few-shot Generalization Through Sparse Interpolated Experts

Conventional wisdom suggests parameter-efficient fine-tuning of foundation models as the state-of-the-art method for transfer learning in vision, replacing the rich literature of alternatives such as meta-learning. In trying to harness the best of both worlds, meta-tuning introduces a subsequent optimization stage of foundation models but has so far only shown limited success and crucially tends to underperform on out-of-domain (OOD) tasks. In this paper, we introduce Sparse MetA-Tuning (SMAT), a method inspired by sparse mixture-of-experts approaches and trained to isolate subsets of pre-trained parameters automatically for meta-tuning on each task. SMAT successfully overcomes OOD sensitivity and delivers on the promise of enhancing the transfer abilities of vision foundation models beyond parameter-efficient finetuning. We establish new state-of-the-art results on a challenging combination of Meta-Dataset augmented with additional OOD tasks in both zero-shot and gradient-based adaptation settings. In addition, we provide a thorough analysis of the superiority of learned over hand-designed sparsity patterns for sparse expert methods and the pivotal importance of the sparsity level in balancing between in-domain and out-of-domain generalization. Our code is publicly available.

MoPE-CLIP: Structured Pruning for Efficient Vision-Language Models with Module-wise Pruning Error Metric

Vision-language pre-trained models have achieved impressive performance on various downstream tasks. However, their large model sizes hinder their utilization on platforms with limited computational resources. We find that directly using smaller pre-trained models and applying magnitude-based pruning on CLIP models leads to inflexibility and inferior performance. Recent efforts for VLP compression either adopt uni-modal compression metrics resulting in limited performance or involve costly mask-search processes with learnable masks. In this paper, we first propose the Module-wise Pruning Error (MoPE) metric, accurately assessing CLIP module importance by performance decline on cross-modal tasks. Using the MoPE metric, we introduce a unified pruning framework applicable to both pre-training and task-specific fine-tuning compression stages. For pre-training, MoPE-CLIP effectively leverages knowledge from the teacher model, significantly reducing pre-training costs while maintaining strong zero-shot capabilities. For fine-tuning, consecutive pruning from width to depth yields highly competitive task-specific models. Extensive experiments in two stages demonstrate the effectiveness of the MoPE metric, and MoPE-CLIP outperforms previous state-of-the-art VLP compression methods.

Understanding and Patching Compositional Reasoning in LLMs

LLMs have marked a revolutonary shift, yet they falter when faced with compositional reasoning tasks. Our research embarks on a quest to uncover the root causes of compositional reasoning failures of LLMs, uncovering that most of them stem from the improperly generated or leveraged implicit reasoning results. Inspired by our empirical findings, we resort to Logit Lens and an intervention experiment to dissect the inner hidden states of LLMs. This deep dive reveals that implicit reasoning results indeed surface within middle layers and play a causative role in shaping the final explicit reasoning results. Our exploration further locates multi-head self-attention (MHSA) modules within these layers, which emerge as the linchpins in accurate generation and leveraing of implicit reasoning results. Grounded on the above findings, we develop CREME, a lightweight method to patch errors in compositional reasoning via editing the located MHSA modules. Our empirical evidence stands testament to CREME's effectiveness, paving the way for autonomously and continuously enhancing compositional reasoning capabilities in language models.

From Words to Molecules: A Survey of Large Language Models in Chemistry

In recent years, Large Language Models (LLMs) have achieved significant success in natural language processing (NLP) and various interdisciplinary areas. However, applying LLMs to chemistry is a complex task that requires specialized domain knowledge. This paper provides a thorough exploration of the nuanced methodologies employed in integrating LLMs into the field of chemistry, delving into the complexities and innovations at this interdisciplinary juncture. Specifically, our analysis begins with examining how molecular information is fed into LLMs through various representation and tokenization methods. We then categorize chemical LLMs into three distinct groups based on the domain and modality of their input data, and discuss approaches for integrating these inputs for LLMs. Furthermore, this paper delves into the pretraining objectives with adaptations to chemical LLMs. After that, we explore the diverse applications of LLMs in chemistry, including novel paradigms for their application in chemistry tasks. Finally, we identify promising research directions, including further integration with chemical knowledge, advancements in continual learning, and improvements in model interpretability, paving the way for groundbreaking developments in the field.

Understanding the Multi-modal Prompts of the Pre-trained Vision-Language Model

Prompt learning has emerged as an efficient alternative for fine-tuning foundational models, such as CLIP, for various downstream tasks. However, there is no work that provides a comprehensive explanation for the working mechanism of the multi-modal prompts. In this paper, we conduct a direct analysis of the multi-modal prompts by asking the following questions: $(i)$ How do the learned multi-modal prompts improve the recognition performance? $(ii)$ What do the multi-modal prompts learn? To answer these questions, we begin by isolating the component of the formula where the prompt influences the calculation of self-attention at each layer in two distinct ways, \ie, $(1)$ introducing prompt embeddings makes the $[cls]$ token focus on foreground objects. $(2)$ the prompts learn a bias term during the update of token embeddings, allowing the model to adapt to the target domain. Subsequently, we conduct extensive visualization and statistical experiments on the eleven diverse downstream recognition datasets. From the experiments, we reveal that the learned prompts improve the performance mainly through the second way, which acts as the dataset bias to improve the recognition performance of the pre-trained model on the corresponding dataset. Based on this finding, we propose the bias tuning way and demonstrate that directly incorporating the learnable bias outperforms the learnable prompts in the same parameter settings. In datasets with limited category information, \ie, EuroSAT, bias tuning surpasses prompt tuning by a large margin. With a deeper understanding of the multi-modal prompt, we hope our work can inspire new and solid research in this direction.

RetroOOD: Understanding Out-of-Distribution Generalization in Retrosynthesis Prediction

Machine learning-assisted retrosynthesis prediction models have been gaining widespread adoption, though their performances oftentimes degrade significantly when deployed in real-world applications embracing out-of-distribution (OOD) molecules or reactions. Despite steady progress on standard benchmarks, our understanding of existing retrosynthesis prediction models under the premise of distribution shifts remains stagnant. To this end, we first formally sort out two types of distribution shifts in retrosynthesis prediction and construct two groups of benchmark datasets. Next, through comprehensive experiments, we systematically compare state-of-the-art retrosynthesis prediction models on the two groups of benchmarks, revealing the limitations of previous in-distribution evaluation and re-examining the advantages of each model. More remarkably, we are motivated by the above empirical insights to propose two model-agnostic techniques that can improve the OOD generalization of arbitrary off-the-shelf retrosynthesis prediction algorithms. Our preliminary experiments show their high potential with an average performance improvement of 4.6%, and the established benchmarks serve as a foothold for further retrosynthesis prediction research towards OOD generalization.

A Simple Knowledge Distillation Framework for Open-world Object Detection

Open World Object Detection (OWOD) is a novel computer vision task with a considerable challenge, bridging the gap between classic object detection (OD) benchmarks and real-world object detection. In addition to detecting and classifying seen/known objects, OWOD algorithms are expected to localize all potential unseen/unknown objects and incrementally learn them. The large pre-trained vision-language grounding models (VLM,eg, GLIP) have rich knowledge about the open world, but are limited by text prompts and cannot localize indescribable objects. However, there are many detection scenarios which pre-defined language descriptions are unavailable during inference. In this paper, we attempt to specialize the VLM model for OWOD task by distilling its open-world knowledge into a language-agnostic detector. Surprisingly, we observe that the combination of a simple knowledge distillation approach and the automatic pseudo-labeling mechanism in OWOD can achieve better performance for unknown object detection, even with a small amount of data. Unfortunately, knowledge distillation for unknown objects severely affects the learning of detectors with conventional structures for known objects, leading to catastrophic forgetting. To alleviate these problems, we propose the down-weight loss function for knowledge distillation from vision-language to single vision modality. Meanwhile, we decouple the learning of localization and recognition to reduce the impact of category interactions of known and unknown objects on the localization learning process. Comprehensive experiments performed on MS-COCO and PASCAL VOC demonstrate the effectiveness of our methods.

Concept-wise Fine-tuning Matters in Preventing Negative Transfer

A multitude of prevalent pre-trained models mark a major milestone in the development of artificial intelligence, while fine-tuning has been a common practice that enables pretrained models to figure prominently in a wide array of target datasets. Our empirical results reveal that off-the-shelf finetuning techniques are far from adequate to mitigate negative transfer caused by two types of underperforming features in a pre-trained model, including rare features and spuriously correlated features. Rooted in structural causal models of predictions after fine-tuning, we propose a Concept-wise fine-tuning (Concept-Tuning) approach which refines feature representations in the level of patches with each patch encoding a concept. Concept-Tuning minimizes the negative impacts of rare features and spuriously correlated features by (1) maximizing the mutual information between examples in the same category with regard to a slice of rare features (a patch) and (2) applying front-door adjustment via attention neural networks in channels and feature slices (patches). The proposed Concept-Tuning consistently and significantly (by up to 4.76%) improves prior state-of-the-art fine-tuning methods on eleven datasets, diverse pre-training strategies (supervised and self-supervised ones), various network architectures, and sample sizes in a target dataset.