arXiv subjects

Moontae Lee

Publications and source records attributed to Moontae Lee.

At least 73 records · Page 4Linked to original sources

arXiv2023

3D Denoisers are Good 2D Teachers: Molecular Pretraining via Denoising and Cross-Modal Distillation

Pretraining molecular representations from large unlabeled data is essential for molecular property prediction due to the high cost of obtaining ground-truth labels. While there exist various 2D graph-based molecular pretraining approaches, these methods struggle to show statistically significant gains in predictive performance. Recent work have thus instead proposed 3D conformer-based pretraining under the task of denoising, which led to promising results. During downstream finetuning, however, models trained with 3D conformers require accurate atom-coordinates of previously unseen molecules, which are computationally expensive to acquire at scale. In light of this limitation, we propose D&D, a self-supervised molecular representation learning framework that pretrains a 2D graph encoder by distilling representations from a 3D denoiser. With denoising followed by cross-modal knowledge distillation, our approach enjoys use of knowledge obtained from denoising as well as painless application to downstream tasks with no access to accurate conformers. Experiments on real-world molecular property prediction datasets show that the graph encoder trained via D&D can infer 3D information based on the 2D graph and shows superior performance and label-efficiency against other baselines.

cs.LG↗

arXiv2023

Curve Your Attention: Mixed-Curvature Transformers for Graph Representation Learning

Real-world graphs naturally exhibit hierarchical or cyclical structures that are unfit for the typical Euclidean space. While there exist graph neural networks that leverage hyperbolic or spherical spaces to learn representations that embed such structures more accurately, these methods are confined under the message-passing paradigm, making the models vulnerable against side-effects such as oversmoothing and oversquashing. More recent work have proposed global attention-based graph Transformers that can easily model long-range interactions, but their extensions towards non-Euclidean geometry are yet unexplored. To bridge this gap, we propose Fully Product-Stereographic Transformer, a generalization of Transformers towards operating entirely on the product of constant curvature spaces. When combined with tokenized graph Transformers, our model can learn the curvature appropriate for the input graph in an end-to-end fashion, without the need of additional tuning on different curvature initializations. We also provide a kernelized approach to non-Euclidean attention, which enables our model to run in time and memory cost linear to the number of nodes and edges while respecting the underlying geometry. Experiments on graph reconstruction and node classification demonstrate the benefits of generalizing Transformers to the non-Euclidean domain.

cs.LG↗

arXiv2023

Exploring Demonstration Ensembling for In-context Learning

In-context learning (ICL) operates by showing language models (LMs) examples of input-output pairs for a given task, i.e., demonstrations. The standard approach for ICL is to prompt the LM with concatenated demonstrations followed by the test input. This approach suffers from some issues. First, concatenation offers almost no control over the contribution of each demo to the model prediction. This can be sub-optimal when some demonstrations are irrelevant to the test example. Second, due to the input length limit of some transformer models, it might be infeasible to fit many examples into the context, especially when dealing with long-input tasks. In this work, we explore Demonstration Ensembling (DENSE) as an alternative to simple concatenation. DENSE predicts outputs using subsets (i.e., buckets) of the demonstrations and then combines the output probabilities resulting from each subset to produce the final prediction. We study different ensembling methods using GPT-j and experiment on 12 language tasks. Our experiments show weighted max ensembling to outperform vanilla concatenation by as large as 2.4 average points. Code available at https://github.com/mukhal/icl-ensembling.

cs.CL↗

arXiv2023

Few-shot Reranking for Multi-hop QA via Language Model Prompting

We study few-shot reranking for multi-hop QA with open-domain questions. To alleviate the need for a large number of labeled question-document pairs for retriever training, we propose PromptRank, which relies on large language models prompting for multi-hop path reranking. PromptRank first constructs an instruction-based prompt that includes a candidate document path and then computes the relevance score between a given question and the path based on the conditional likelihood of the question given the path prompt according to a language model. PromptRank yields strong retrieval performance on HotpotQA with only 128 training examples compared to state-of-the-art methods trained on thousands of examples -- 73.6 recall@10 by PromptRank vs. 77.8 by PathRetriever and 77.5 by multi-hop dense retrieval. Code available at https://github.com/mukhal/PromptRank

cs.CL↗

arXiv2023

When to Read Documents or QA History: On Unified and Selective Open-domain QA

This paper studies the problem of open-domain question answering, with the aim of answering a diverse range of questions leveraging knowledge resources. Two types of sources, QA-pair and document corpora, have been actively leveraged with the following complementary strength. The former is highly precise when the paraphrase of given question $q$ was seen and answered during training, often posed as a retrieval problem, while the latter generalizes better for unseen questions. A natural follow-up is thus leveraging both models, while a naive pipelining or integration approaches have failed to bring additional gains over either model alone. Our distinction is interpreting the problem as calibration, which estimates the confidence of predicted answers as an indicator to decide when to use a document or QA-pair corpus. The effectiveness of our method was validated on widely adopted benchmarks such as Natural Questions and TriviaQA.

cs.CL↗

arXiv2023

Unsupervised Task Graph Generation from Instructional Video Transcripts

This work explores the problem of generating task graphs of real-world activities. Different from prior formulations, we consider a setting where text transcripts of instructional videos performing a real-world activity (e.g., making coffee) are provided and the goal is to identify the key steps relevant to the task as well as the dependency relationship between these key steps. We propose a novel task graph generation approach that combines the reasoning capabilities of instruction-tuned language models along with clustering and ranking components to generate accurate task graphs in a completely unsupervised manner. We show that the proposed approach generates more accurate task graphs compared to a supervised learning approach on tasks from the ProceL and CrossTask datasets.

cs.AI↗

arXiv2023

Rebalancing Batch Normalization for Exemplar-based Class-Incremental Learning

Batch Normalization (BN) and its variants has been extensively studied for neural nets in various computer vision tasks, but relatively little work has been dedicated to studying the effect of BN in continual learning. To that end, we develop a new update patch for BN, particularly tailored for the exemplar-based class-incremental learning (CIL). The main issue of BN in CIL is the imbalance of training data between current and past tasks in a mini-batch, which makes the empirical mean and variance as well as the learnable affine transformation parameters of BN heavily biased toward the current task -- contributing to the forgetting of past tasks. While one of the recent BN variants has been developed for "online" CIL, in which the training is done with a single epoch, we show that their method does not necessarily bring gains for "offline" CIL, in which a model is trained with multiple epochs on the imbalanced training data. The main reason for the ineffectiveness of their method lies in not fully addressing the data imbalance issue, especially in computing the gradients for learning the affine transformation parameters of BN. Accordingly, our new hyperparameter-free variant, dubbed as Task-Balanced BN (TBBN), is proposed to more correctly resolve the imbalance issue by making a horizontally-concatenated task-balanced batch using both reshape and repeat operations during training. Based on our experiments on class incremental learning of CIFAR-100, ImageNet-100, and five dissimilar task datasets, we demonstrate that our TBBN, which works exactly the same as the vanilla BN in the inference time, is easily applicable to most existing exemplar-based offline CIL algorithms and consistently outperforms other BN variants.

cs.CV↗

arXiv2023

Multimodal Subtask Graph Generation from Instructional Videos

Real-world tasks consist of multiple inter-dependent subtasks (e.g., a dirty pan needs to be washed before it can be used for cooking). In this work, we aim to model the causal dependencies between such subtasks from instructional videos describing the task. This is a challenging problem since complete information about the world is often inaccessible from videos, which demands robust learning mechanisms to understand the causal structure of events. We present Multimodal Subtask Graph Generation (MSG2), an approach that constructs a Subtask Graph defining the dependency between a task's subtasks relevant to a task from noisy web videos. Graphs generated by our multimodal approach are closer to human-annotated graphs compared to prior approaches. MSG2 further performs the downstream task of next subtask prediction 85% and 30% more accurately than recent video transformer models in the ProceL and CrossTask datasets, respectively.

cs.LG↗

arXiv2023

Exploring the Benefits of Training Expert Language Models over Instruction Tuning

Recently, Language Models (LMs) instruction-tuned on multiple tasks, also known as multitask-prompted fine-tuning (MT), have shown the capability to generalize to unseen tasks. Previous work has shown that scaling the number of training tasks is the key component in making stronger MT LMs. In this work, we report an unexpected finding that an expert LM fine-tuned on just a single task can outperform an MT LM trained with 300+ different tasks on 11 different unseen datasets and on 13 datasets of the BIG-bench benchmark by a mean accuracy of 3.20% and 1.29%, respectively. This finding casts doubt on the previously held belief that simply scaling the number of tasks makes stronger MT LMs. Leveraging this finding, we further show that this distributed approach of training a separate expert LM per training task instead of a single MT LM for zero-shot inference possesses many benefits including (1) avoiding negative task transfer that often occurs during instruction tuning, (2) being able to continually learn new tasks without having to re-train on previous tasks to avoid catastrophic forgetting, and (3) showing compositional capabilities when merging individual experts together. The code is available at https://github.com/joeljang/ELM.

cs.CL↗

arXiv2023

Transferring Pre-trained Multimodal Representations with Cross-modal Similarity Matching

Despite surprising performance on zero-shot transfer, pre-training a large-scale multimodal model is often prohibitive as it requires a huge amount of data and computing resources. In this paper, we propose a method (BeamCLIP) that can effectively transfer the representations of a large pre-trained multimodal model (CLIP-ViT) into a small target model (e.g., ResNet-18). For unsupervised transfer, we introduce cross-modal similarity matching (CSM) that enables a student model to learn the representations of a teacher model by matching the relative similarity distribution across text prompt embeddings. To better encode the text prompts, we design context-based prompt augmentation (CPA) that can alleviate the lexical ambiguity of input text prompts. Our experiments show that unsupervised representation transfer of a pre-trained vision-language model enables a small ResNet-18 to achieve a better ImageNet-1K top-1 linear probe accuracy (66.2%) than vision-only self-supervised learning (SSL) methods (e.g., SimCLR: 51.8%, SwAV: 63.7%), while closing the gap with supervised learning (69.8%).

cs.LG↗

arXiv2022

Knowledge Unlearning for Mitigating Privacy Risks in Language Models

Pretrained Language Models (LMs) memorize a vast amount of knowledge during initial pretraining, including information that may violate the privacy of personal lives and identities. Previous work addressing privacy issues for language models has mostly focused on data preprocessing and differential privacy methods, both requiring re-training the underlying LM. We propose knowledge unlearning as an alternative method to reduce privacy risks for LMs post hoc. We show that simply performing gradient ascent on target token sequences is effective at forgetting them with little to no degradation of general language modeling performances for larger LMs; it sometimes even substantially improves the underlying LM with just a few iterations. We also find that sequential unlearning is better than trying to unlearn all the data at once and that unlearning is highly dependent on which kind of data (domain) is forgotten. By showing comparisons with a previous data preprocessing method and a decoding method known to mitigate privacy risks for LMs, we show that unlearning can give a stronger empirical privacy guarantee in scenarios where the data vulnerable to extraction attacks are known a priori while being much more efficient and robust. We release the code and dataset needed to replicate our results at https://github.com/joeljang/knowledge-unlearning.

cs.CL↗

arXiv2022

Symbolic Music Loop Generation with Neural Discrete Representations

Since most of music has repetitive structures from motifs to phrases, repeating musical ideas can be a basic operation for music composition. The basic block that we focus on is conceptualized as loops which are essential ingredients of music. Furthermore, meaningful note patterns can be formed in a finite space, so it is sufficient to represent them with combinations of discrete symbols as done in other domains. In this work, we propose symbolic music loop generation via learning discrete representations. We first extract loops from MIDI datasets using a loop detector and then learn an autoregressive model trained by discrete latent codes of the extracted loops. We show that our model outperforms well-known music generative models in terms of both fidelity and diversity, evaluating on random space. Our code and supplementary materials are available at https://github.com/sjhan91/Loop_VQVAE_Official.

cs.SD↗

arXiv2022

Transformers meet Stochastic Block Models: Attention with Data-Adaptive Sparsity and Cost

To overcome the quadratic cost of self-attention, recent works have proposed various sparse attention modules, most of which fall under one of two groups: 1) sparse attention under a hand-crafted patterns and 2) full attention followed by a sparse variant of softmax such as $α$-entmax. Unfortunately, the first group lacks adaptability to data while the second still requires quadratic cost in training. In this work, we propose SBM-Transformer, a model that resolves both problems by endowing each attention head with a mixed-membership Stochastic Block Model (SBM). Then, each attention head data-adaptively samples a bipartite graph, the adjacency of which is used as an attention mask for each input. During backpropagation, a straight-through estimator is used to flow gradients beyond the discrete sampling step and adjust the probabilities of sampled edges based on the predictive loss. The forward and backward cost are thus linear to the number of edges, which each attention head can also choose flexibly based on the input. By assessing the distribution of graphs, we theoretically show that SBM-Transformer is a universal approximator for arbitrary sequence-to-sequence functions in expectation. Empirical evaluations under the LRA and GLUE benchmarks demonstrate that our model outperforms previous efficient variants as well as the original Transformer with full attention. Our implementation can be found in https://github.com/sc782/SBM-Transformer .

cs.LG↗

arXiv2022

Pure Transformers are Powerful Graph Learners

We show that standard Transformers without graph-specific modifications can lead to promising results in graph learning both in theory and practice. Given a graph, we simply treat all nodes and edges as independent tokens, augment them with token embeddings, and feed them to a Transformer. With an appropriate choice of token embeddings, we prove that this approach is theoretically at least as expressive as an invariant graph network (2-IGN) composed of equivariant linear layers, which is already more expressive than all message-passing Graph Neural Networks (GNN). When trained on a large-scale graph dataset (PCQM4Mv2), our method coined Tokenized Graph Transformer (TokenGT) achieves significantly better results compared to GNN baselines and competitive results compared to Transformer variants with sophisticated graph-specific inductive bias. Our implementation is available at https://github.com/jw9730/tokengt.

cs.LG↗

arXiv2022

Grouping-matrix based Graph Pooling with Adaptive Number of Clusters

Graph pooling is a crucial operation for encoding hierarchical structures within graphs. Most existing graph pooling approaches formulate the problem as a node clustering task which effectively captures the graph topology. Conventional methods ask users to specify an appropriate number of clusters as a hyperparameter, then assume that all input graphs share the same number of clusters. In inductive settings where the number of clusters can vary, however, the model should be able to represent this variation in its pooling layers in order to learn suitable clusters. Thus we propose GMPool, a novel differentiable graph pooling architecture that automatically determines the appropriate number of clusters based on the input data. The main intuition involves a grouping matrix defined as a quadratic form of the pooling operator, which induces use of binary classification probabilities of pairwise combinations of nodes. GMPool obtains the pooling operator by first computing the grouping matrix, then decomposing it. Extensive evaluations on molecular property prediction tasks demonstrate that our method outperforms conventional methods.

cs.AI↗

arXiv2022

Few-shot Subgoal Planning with Language Models

Pre-trained large language models have shown successful progress in many language understanding benchmarks. This work explores the capability of these models to predict actionable plans in real-world environments. Given a text instruction, we show that language priors encoded in pre-trained language models allow us to infer fine-grained subgoal sequences. In contrast to recent methods which make strong assumptions about subgoal supervision, our experiments show that language models can infer detailed subgoal sequences from few training sequences without any fine-tuning. We further propose a simple strategy to re-rank language model predictions based on interaction and feedback from the environment. Combined with pre-trained navigation and visual reasoning components, our approach demonstrates competitive performance on subgoal prediction and task completion in the ALFRED benchmark compared to prior methods that assume more subgoal supervision.

cs.CL↗

arXiv2021

On-the-Fly Rectification for Robust Large-Vocabulary Topic Inference

Across many data domains, co-occurrence statistics about the joint appearance of objects are powerfully informative. By transforming unsupervised learning problems into decompositions of co-occurrence statistics, spectral algorithms provide transparent and efficient algorithms for posterior inference such as latent topic analysis and community detection. As object vocabularies grow, however, it becomes rapidly more expensive to store and run inference algorithms on co-occurrence statistics. Rectifying co-occurrence, the key process to uphold model assumptions, becomes increasingly more vital in the presence of rare terms, but current techniques cannot scale to large vocabularies. We propose novel methods that simultaneously compress and rectify co-occurrence statistics, scaling gracefully with the size of vocabulary and the dimension of latent space. We also present new algorithms learning latent variables from the compressed statistics, and verify that our methods perform comparably to previous approaches on both textual and non-textual data.

cs.CL↗

arXiv2017

Prior-aware Dual Decomposition: Document-specific Topic Inference for Spectral Topic Models

Spectral topic modeling algorithms operate on matrices/tensors of word co-occurrence statistics to learn topic-specific word distributions. This approach removes the dependence on the original documents and produces substantial gains in efficiency and provable topic inference, but at a cost: the model can no longer provide information about the topic composition of individual documents. Recently Thresholded Linear Inverse (TLI) is proposed to map the observed words of each document back to its topic composition. However, its linear characteristics limit the inference quality without considering the important prior information over topics. In this paper, we evaluate Simple Probabilistic Inverse (SPI) method and novel Prior-aware Dual Decomposition (PADD) that is capable of learning document-specific topic compositions in parallel. Experiments show that PADD successfully leverages topic correlations as a prior, notably outperforming TLI and learning quality topic compositions comparable to Gibbs sampling on various data.

cs.CL↗