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When to Pre-Train Graph Neural Networks? From Data Generation Perspective!

In recent years, graph pre-training has gained significant attention, focusing on acquiring transferable knowledge from unlabeled graph data to improve downstream performance. Despite these recent endeavors, the problem of negative transfer remains a major concern when utilizing graph pre-trained models to downstream tasks. Previous studies made great efforts on the issue of what to pre-train and how to pre-train by designing a variety of graph pre-training and fine-tuning strategies. However, there are cases where even the most advanced "pre-train and fine-tune" paradigms fail to yield distinct benefits. This paper introduces a generic framework W2PGNN to answer the crucial question of when to pre-train (i.e., in what situations could we take advantage of graph pre-training) before performing effortful pre-training or fine-tuning. We start from a new perspective to explore the complex generative mechanisms from the pre-training data to downstream data. In particular, W2PGNN first fits the pre-training data into graphon bases, each element of graphon basis (i.e., a graphon) identifies a fundamental transferable pattern shared by a collection of pre-training graphs. All convex combinations of graphon bases give rise to a generator space, from which graphs generated form the solution space for those downstream data that can benefit from pre-training. In this manner, the feasibility of pre-training can be quantified as the generation probability of the downstream data from any generator in the generator space. W2PGNN offers three broad applications: providing the application scope of graph pre-trained models, quantifying the feasibility of pre-training, and assistance in selecting pre-training data to enhance downstream performance. We provide a theoretically sound solution for the first application and extensive empirical justifications for the latter two applications.

WinoGrande: An Adversarial Winograd Schema Challenge at Scale

The Winograd Schema Challenge (WSC) (Levesque, Davis, and Morgenstern 2011), a benchmark for commonsense reasoning, is a set of 273 expert-crafted pronoun resolution problems originally designed to be unsolvable for statistical models that rely on selectional preferences or word associations. However, recent advances in neural language models have already reached around 90% accuracy on variants of WSC. This raises an important question whether these models have truly acquired robust commonsense capabilities or whether they rely on spurious biases in the datasets that lead to an overestimation of the true capabilities of machine commonsense. To investigate this question, we introduce WinoGrande, a large-scale dataset of 44k problems, inspired by the original WSC design, but adjusted to improve both the scale and the hardness of the dataset. The key steps of the dataset construction consist of (1) a carefully designed crowdsourcing procedure, followed by (2) systematic bias reduction using a novel AfLite algorithm that generalizes human-detectable word associations to machine-detectable embedding associations. The best state-of-the-art methods on WinoGrande achieve 59.4-79.1%, which are 15-35% below human performance of 94.0%, depending on the amount of the training data allowed. Furthermore, we establish new state-of-the-art results on five related benchmarks - WSC (90.1%), DPR (93.1%), COPA (90.6%), KnowRef (85.6%), and Winogender (97.1%). These results have dual implications: on one hand, they demonstrate the effectiveness of WinoGrande when used as a resource for transfer learning. On the other hand, they raise a concern that we are likely to be overestimating the true capabilities of machine commonsense across all these benchmarks. We emphasize the importance of algorithmic bias reduction in existing and future benchmarks to mitigate such overestimation.

AST-Probe: Recovering abstract syntax trees from hidden representations of pre-trained language models

The objective of pre-trained language models is to learn contextual representations of textual data. Pre-trained language models have become mainstream in natural language processing and code modeling. Using probes, a technique to study the linguistic properties of hidden vector spaces, previous works have shown that these pre-trained language models encode simple linguistic properties in their hidden representations. However, none of the previous work assessed whether these models encode the whole grammatical structure of a programming language. In this paper, we prove the existence of a syntactic subspace, lying in the hidden representations of pre-trained language models, which contain the syntactic information of the programming language. We show that this subspace can be extracted from the models' representations and define a novel probing method, the AST-Probe, that enables recovering the whole abstract syntax tree (AST) of an input code snippet. In our experimentations, we show that this syntactic subspace exists in five state-of-the-art pre-trained language models. In addition, we highlight that the middle layers of the models are the ones that encode most of the AST information. Finally, we estimate the optimal size of this syntactic subspace and show that its dimension is substantially lower than those of the models' representation spaces. This suggests that pre-trained language models use a small part of their representation spaces to encode syntactic information of the programming languages.

Big Self-Supervised Models are Strong Semi-Supervised Learners

One paradigm for learning from few labeled examples while making best use of a large amount of unlabeled data is unsupervised pretraining followed by supervised fine-tuning. Although this paradigm uses unlabeled data in a task-agnostic way, in contrast to common approaches to semi-supervised learning for computer vision, we show that it is surprisingly effective for semi-supervised learning on ImageNet. A key ingredient of our approach is the use of big (deep and wide) networks during pretraining and fine-tuning. We find that, the fewer the labels, the more this approach (task-agnostic use of unlabeled data) benefits from a bigger network. After fine-tuning, the big network can be further improved and distilled into a much smaller one with little loss in classification accuracy by using the unlabeled examples for a second time, but in a task-specific way. The proposed semi-supervised learning algorithm can be summarized in three steps: unsupervised pretraining of a big ResNet model using SimCLRv2, supervised fine-tuning on a few labeled examples, and distillation with unlabeled examples for refining and transferring the task-specific knowledge. This procedure achieves 73.9% ImageNet top-1 accuracy with just 1% of the labels (le13 labeled images per class) using ResNet-50, a 10times improvement in label efficiency over the previous state-of-the-art. With 10% of labels, ResNet-50 trained with our method achieves 77.5% top-1 accuracy, outperforming standard supervised training with all of the labels.

Building Variable-sized Models via Learngene Pool

Recently, Stitchable Neural Networks (SN-Net) is proposed to stitch some pre-trained networks for quickly building numerous networks with different complexity and performance trade-offs. In this way, the burdens of designing or training the variable-sized networks, which can be used in application scenarios with diverse resource constraints, are alleviated. However, SN-Net still faces a few challenges. 1) Stitching from multiple independently pre-trained anchors introduces high storage resource consumption. 2) SN-Net faces challenges to build smaller models for low resource constraints. 3). SN-Net uses an unlearned initialization method for stitch layers, limiting the final performance. To overcome these challenges, motivated by the recently proposed Learngene framework, we propose a novel method called Learngene Pool. Briefly, Learngene distills the critical knowledge from a large pre-trained model into a small part (termed as learngene) and then expands this small part into a few variable-sized models. In our proposed method, we distill one pretrained large model into multiple small models whose network blocks are used as learngene instances to construct the learngene pool. Since only one large model is used, we do not need to store more large models as SN-Net and after distilling, smaller learngene instances can be created to build small models to satisfy low resource constraints. We also insert learnable transformation matrices between the instances to stitch them into variable-sized models to improve the performance of these models. Exhaustive experiments have been implemented and the results validate the effectiveness of the proposed Learngene Pool compared with SN-Net.

Negative Token Merging: Image-based Adversarial Feature Guidance

Text-based adversarial guidance using a negative prompt has emerged as a widely adopted approach to push the output features away from undesired concepts. While useful, performing adversarial guidance using text alone can be insufficient to capture complex visual concepts and avoid undesired visual elements like copyrighted characters. In this paper, for the first time we explore an alternate modality in this direction by performing adversarial guidance directly using visual features from a reference image or other images in a batch. In particular, we introduce negative token merging (NegToMe), a simple but effective training-free approach which performs adversarial guidance by selectively pushing apart matching semantic features (between reference and output generation) during the reverse diffusion process. When used w.r.t. other images in the same batch, we observe that NegToMe significantly increases output diversity (racial, gender, visual) without sacrificing output image quality. Similarly, when used w.r.t. a reference copyrighted asset, NegToMe helps reduce visual similarity with copyrighted content by 34.57%. NegToMe is simple to implement using just few-lines of code, uses only marginally higher (<4%) inference times and generalizes to different diffusion architectures like Flux, which do not natively support the use of a separate negative prompt. Code is available at https://negtome.github.io

UniCoder: Scaling Code Large Language Model via Universal Code

Intermediate reasoning or acting steps have successfully improved large language models (LLMs) for handling various downstream natural language processing (NLP) tasks. When applying LLMs for code generation, recent works mainly focus on directing the models to articulate intermediate natural-language reasoning steps, as in chain-of-thought (CoT) prompting, and then output code with the natural language or other structured intermediate steps. However, such output is not suitable for code translation or generation tasks since the standard CoT has different logical structures and forms of expression with the code. In this work, we introduce the universal code (UniCode) as the intermediate representation. It is a description of algorithm steps using a mix of conventions of programming languages, such as assignment operator, conditional operator, and loop. Hence, we collect an instruction dataset UniCoder-Instruct to train our model UniCoder on multi-task learning objectives. UniCoder-Instruct comprises natural-language questions, code solutions, and the corresponding universal code. The alignment between the intermediate universal code representation and the final code solution significantly improves the quality of the generated code. The experimental results demonstrate that UniCoder with the universal code significantly outperforms the previous prompting methods by a large margin, showcasing the effectiveness of the structural clues in pseudo-code.

CodeT5: Identifier-aware Unified Pre-trained Encoder-Decoder Models for Code Understanding and Generation

Pre-trained models for Natural Languages (NL) like BERT and GPT have been recently shown to transfer well to Programming Languages (PL) and largely benefit a broad set of code-related tasks. Despite their success, most current methods either rely on an encoder-only (or decoder-only) pre-training that is suboptimal for generation (resp. understanding) tasks or process the code snippet in the same way as NL, neglecting the special characteristics of PL such as token types. We present CodeT5, a unified pre-trained encoder-decoder Transformer model that better leverages the code semantics conveyed from the developer-assigned identifiers. Our model employs a unified framework to seamlessly support both code understanding and generation tasks and allows for multi-task learning. Besides, we propose a novel identifier-aware pre-training task that enables the model to distinguish which code tokens are identifiers and to recover them when they are masked. Furthermore, we propose to exploit the user-written code comments with a bimodal dual generation task for better NL-PL alignment. Comprehensive experiments show that CodeT5 significantly outperforms prior methods on understanding tasks such as code defect detection and clone detection, and generation tasks across various directions including PL-NL, NL-PL, and PL-PL. Further analysis reveals that our model can better capture semantic information from code. Our code and pre-trained models are released at https: //github.com/salesforce/CodeT5 .

UniPT: Universal Parallel Tuning for Transfer Learning with Efficient Parameter and Memory

Fine-tuning pre-trained models has emerged as a powerful technique in numerous domains, owing to its ability to leverage enormous pre-existing knowledge and achieve remarkable performance on downstream tasks. However, updating the parameters of entire networks is computationally intensive. Although state-of-the-art parameter-efficient transfer learning (PETL) methods significantly reduce the trainable parameters and storage demand, almost all of them still need to back-propagate the gradients through large pre-trained networks. This memory-extensive characteristic extremely limits the applicability of PETL methods in real-world scenarios. To this end, we propose a new memory-efficient PETL strategy, dubbed Universal Parallel Tuning (UniPT). Specifically, we facilitate the transfer process via a lightweight learnable parallel network, which consists of two modules: 1) A parallel interaction module that decouples the inherently sequential connections and processes the intermediate activations detachedly of the pre-trained network. 2) A confidence aggregation module that learns optimal strategies adaptively for integrating cross-layer features. We evaluate UniPT with different backbones (e.g., VSEinfty, CLIP4Clip, Clip-ViL, and MDETR) on five challenging vision-and-language tasks (i.e., image-text retrieval, video-text retrieval, visual question answering, compositional question answering, and visual grounding). Extensive ablations on ten datasets have validated that our UniPT can not only dramatically reduce memory consumption and outperform the best memory-efficient competitor, but also achieve higher performance than existing PETL methods in a low-memory scenario on different architectures. Our code is publicly available at: https://github.com/Paranioar/UniPT.

Rethinking Supervised Pre-training for Better Downstream Transferring

The pretrain-finetune paradigm has shown outstanding performance on many applications of deep learning, where a model is pre-trained on a upstream large dataset (e.g. ImageNet), and is then fine-tuned to different downstream tasks. Though for most cases, the pre-training stage is conducted based on supervised methods, recent works on self-supervised pre-training have shown powerful transferability and even outperform supervised pre-training on multiple downstream tasks. It thus remains an open question how to better generalize supervised pre-training model to downstream tasks. In this paper, we argue that the worse transferability of existing supervised pre-training methods arise from the negligence of valuable intra-class semantic difference. This is because these methods tend to push images from the same class close to each other despite of the large diversity in their visual contents, a problem to which referred as "overfit of upstream tasks". To alleviate this problem, we propose a new supervised pre-training method based on Leave-One-Out K-Nearest-Neighbor, or LOOK for short. It relieves the problem of overfitting upstream tasks by only requiring each image to share its class label with most of its k nearest neighbors, thus allowing each class to exhibit a multi-mode distribution and consequentially preserving part of intra-class difference for better transferring to downstream tasks. We developed efficient implementation of the proposed method that scales well to large datasets. Experimental studies on multiple downstream tasks show that LOOK outperforms other state-of-the-art methods for supervised and self-supervised pre-training.

Predictive Data Selection: The Data That Predicts Is the Data That Teaches

Language model pretraining involves training on extensive corpora, where data quality plays a pivotal role. In this work, we aim to directly estimate the contribution of data during pretraining and select pretraining data in an efficient manner. Specifically, we draw inspiration from recent findings showing that compression efficiency (i.e., the normalized loss) of diverse models on certain text correlates strongly with their downstream performance, when the text domain aligns with the downstream benchmark (Huang et al., 2024). Building on this observation, we hypothesize that data on which model losses are predictive of downstream abilities also contribute effectively to learning. To leverage this insight, we introduce data selection based on data's Predictive strength (Preselect), a lightweight and efficient data selection method that requires training and deploying only a fastText-based scorer. Through comprehensive experiments with 1B and 3B parameter models, we demonstrate that models trained on 30B tokens selected with PreSelect surpasses the performance of a vanilla baseline trained on 300B tokens, achieving a 10x reduction in compute requirements. Furthermore, PreSelect significantly outperforms other competitive data selection baselines, such as DCLM and FineWeb-Edu on a scale of 3B models trained on 100B tokens. We open-source our trained data selection scorer along with the curated datasets at https://github.com/hkust-nlp/PreSelect.

Data Filtering Networks

Large training sets have become a cornerstone of machine learning and are the foundation for recent advances in language modeling and multimodal learning. While data curation for pre-training is often still ad-hoc, one common paradigm is to first collect a massive pool of data from the Web and then filter this candidate pool down to an actual training set via various heuristics. In this work, we study the problem of learning a data filtering network (DFN) for this second step of filtering a large uncurated dataset. Our key finding is that the quality of a network for filtering is distinct from its performance on downstream tasks: for instance, a model that performs well on ImageNet can yield worse training sets than a model with low ImageNet accuracy that is trained on a small amount of high-quality data. Based on our insights, we construct new data filtering networks that induce state-of-the-art image-text datasets. Specifically, our best performing dataset DFN-5B enables us to train state-of-the-art models for their compute budgets: among other improvements on a variety of tasks, a ViT-H trained on our dataset achieves 83.0% zero-shot transfer accuracy on ImageNet, out-performing models trained on other datasets such as LAION-2B, DataComp-1B, or OpenAI's WIT. In order to facilitate further research in dataset design, we also release a new 2 billion example dataset DFN-2B and show that high performance data filtering networks can be trained from scratch using only publicly available data.

Performance Analysis of Various EfficientNet Based U-Net++ Architecture for Automatic Building Extraction from High Resolution Satellite Images

Building extraction is an essential component of study in the science of remote sensing, and applications for building extraction heavily rely on semantic segmentation of high-resolution remote sensing imagery. Semantic information extraction gap constraints in the present deep learning based approaches, however can result in inadequate segmentation outcomes. To address this issue and extract buildings with high accuracy, various efficientNet backbone based U-Net++ has been proposed in this study. The designed network, based on U-Net, can improve the sensitivity of the model by deep supervision, voluminous redesigned skip-connections and hence reducing the influence of irrelevant feature areas in the background. Various effecientNet backbone based encoders have been employed when training the network to enhance the capacity of the model to extract more relevant feature. According on the experimental findings, the suggested model significantly outperforms previous cutting-edge approaches. Among the 5 efficientNet variation Unet++ based on efficientb4 achieved the best result by scoring mean accuracy of 92.23%, mean iou of 88.32%, and mean precision of 93.2% on publicly available Massachusetts building dataset and thus showing the promises of the model for automatic building extraction from high resolution satellite images.

DyCL: Dynamic Neural Network Compilation Via Program Rewriting and Graph Optimization

DL compiler's primary function is to translate DNN programs written in high-level DL frameworks such as PyTorch and TensorFlow into portable executables. These executables can then be flexibly executed by the deployed host programs. However, existing DL compilers rely on a tracing mechanism, which involves feeding a runtime input to a neural network program and tracing the program execution paths to generate the computational graph necessary for compilation. Unfortunately, this mechanism falls short when dealing with modern dynamic neural networks (DyNNs) that possess varying computational graphs depending on the inputs. Consequently, conventional DL compilers struggle to accurately compile DyNNs into executable code. To address this limitation, we propose \tool, a general approach that enables any existing DL compiler to successfully compile DyNNs. \tool tackles the dynamic nature of DyNNs by introducing a compilation mechanism that redistributes the control and data flow of the original DNN programs during the compilation process. Specifically, \tool develops program analysis and program transformation techniques to convert a dynamic neural network into multiple sub-neural networks. Each sub-neural network is devoid of conditional statements and is compiled independently. Furthermore, \tool synthesizes a host module that models the control flow of the DyNNs and facilitates the invocation of the sub-neural networks. Our evaluation demonstrates the effectiveness of \tool, achieving a 100\% success rate in compiling all dynamic neural networks. Moreover, the compiled executables generated by \tool exhibit significantly improved performance, running between 1.12times and 20.21times faster than the original DyNNs executed on general-purpose DL frameworks.