ICML 2024 Papers

International Conference on Machine Learning

Decision breakdown

2,610papers

Counted from the official paper list; may differ slightly from the number the conference announced.

  • Oral
    1445.5%
  • Spotlight
    1917.3%
  • Poster
    2,27587.2%

Browse all papers

Surface-VQMAE: Vector-quantized Masked Auto-encoders on Molecular Surfaces

Fang Wu, Stan Z. Li

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Molecular surfaces imply fingerprints of interaction patterns between proteins. However, non-equivalent efforts have been paid to incorporating the abundant protein surface information for analyzing proteins' biological functions in juxtaposition to amino acid sequences and 3D structures. We propose a novel surface-based unsupervised learning algorithm termed Surface-VQMAE to overcome this obstacle. In light of surface point clouds' sparsity and disorder properties, we first partition them into patches and obtain the sequential arrangement via the Morton curve. Successively, a Transformer-based architecture named SurfFormer was introduced to integrate the surface geometry and capture patch-level relations. At last, we enhance the prevalent masked auto-encoder (MAE) with the vector quantization (VQ) technique, which establishes a surface pattern codebook to enforce a discrete posterior distribution of latent variables and achieve more condensed semantics. Our work is the foremost to implement pretraining purely on molecular surfaces and extensive experiments on diverse real-life scenarios including binding site scoring, binding affinity prediction, and mutant effect estimation demonstrate its effectiveness. The code is available at https://github.com/smiles724/VQMAE.

Poster
Repoformer: Selective Retrieval for Repository-Level Code Completion

Di Wu, Wasi Uddin Ahmad, Dejiao Zhang, Murali Krishna Ramanathan, Xiaofei Ma

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Recent advances in retrieval-augmented generation (RAG) have initiated a new era in repository-level code completion. However, the invariable use of retrieval in existing methods exposes issues in both efficiency and robustness, with a large proportion of the retrieved contexts proving unhelpful or harmful to code language models (code LMs). In this paper, we propose a selective RAG framework to avoid retrieval when unnecessary. To power this framework, we design a self-supervised learning approach to enable a code LM to accurately self-evaluate whether retrieval can improve its output quality and robustly leverage the potentially noisy retrieved contexts. Using this LM as both the selective RAG policy and the generation model, our framework achieves state-of-the-art repository-level code completion performance on diverse benchmarks including RepoEval, CrossCodeEval, and CrossCodeLongEval, a new long-form code completion benchmark. Meanwhile, our analyses show that selectively retrieving brings as much as 70% inference speedup in the online serving setting without harming the performance. We further demonstrate that our framework is able to accommodate different generation models, retrievers, and programming languages. These advancements position our framework as an important step towards more accurate and efficient repository-level code completion.

Oral
Semantically-correlated memories in a dense associative model

Thomas F Burns

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I introduce a novel associative memory model named *Correlated Dense Associative Memory* (CDAM), which integrates both auto- and hetero-association in a unified framework for continuous-valued memory patterns. Employing an arbitrary graph structure to semantically link memory patterns, CDAM is theoretically and numerically analysed, revealing four distinct dynamical modes: auto-association, narrow hetero-association, wide hetero-association, and neutral quiescence. Drawing inspiration from inhibitory modulation studies, I employ anti-Hebbian learning rules to control the range of hetero-association, extract multi-scale representations of community structures in graphs, and stabilise the recall of temporal sequences. Experimental demonstrations showcase CDAM's efficacy in handling real-world data, replicating a classical neuroscience experiment, performing image retrieval, and simulating arbitrary finite automata.

Poster
Sign Gradient Descent-based Neuronal Dynamics: ANN-to-SNN Conversion Beyond ReLU Network

Hyunseok Oh, Youngki Lee

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Spiking neural network (SNN) is studied in multidisciplinary domains to (i) enable order-of-magnitudes energy-efficient AI inference, and (ii) computationally simulate neuroscientific mechanisms. The lack of discrete theory obstructs the practical application of SNN by limiting its performance and nonlinearity support. We present a new optimization-theoretic perspective of the discrete dynamics of spiking neuron. We prove that a discrete dynamical system of simple integrate-and-fire models approximates the subgradient method over unconstrained optimization problems. We practically extend our theory to introduce a novel sign gradient descent (signGD)-based neuronal dynamics that can (i) approximate diverse nonlinearities beyond ReLU, and (ii) advance ANN-to-SNN conversion performance in low time-steps. Experiments on large-scale datasets show that our technique achieve (i) state-of-the-art performance in ANN-to-SNN conversion, and (ii) is first to convert new DNN architectures, e.g., ConvNext, MLP-Mixer, and ResMLP. We publicly share our source code at www.github.com/snuhcs/snn_signgd .

Poster
Uniform Memory Retrieval with Larger Capacity for Modern Hopfield Models

Dennis Wu, Jerry Yao-Chieh Hu, Teng-Yun Hsiao, Han Liu

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We propose a two-stage optimization formulation for the memory retrieval dynamics of modern Hopfield models, termed $\mathtt{U\text{-}Hop}$. Our key contribution is a learnable feature map $\Phi$ which transforms the Hopfield energy function into a kernel space. This transformation ensures convergence between the local minima of energy and the fixed points of retrieval dynamics within the kernel space. Consequently, the kernel norm induced by $\Phi$ serves as a novel similarity measure. It utilizes the stored memory patterns as learning data to enhance memory capacity across all modern Hopfield models. Specifically, we accomplish this by constructing a separation loss $\mathcal{L}_\Phi$ that separates the local minima of kernelized energy by separating stored memory patterns in kernel space. Methodologically, $\mathtt{U\text{-}Hop}$ memory retrieval process consists of: **(Stage I:)** minimizing separation loss for a more uniformed memory (local minimum) distribution, followed by **(Stage II:)** standard Hopfield energy minimization for memory retrieval. This results in significant reduction of possible meta-stable states in the Hopfield energy function, thus preventing memory confusion. Empirically, with real-world datasets, we demonstrate that $\mathtt{U\text{-}Hop}$ outperforms all existing modern Hopfield models and SOTA similarity measures, achieving a substantial margin in both associative memory retrieval and deep learning tasks. Code is available at [GitHub](https://github.com/MAGICS-LAB/UHop); future updates are on [arXiv](https://arxiv.org/abs/2404.03827).

Poster
Dense Reward for Free in Reinforcement Learning from Human Feedback

Alex James Chan, Hao Sun, Samuel Holt, Mihaela van der Schaar

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Reinforcement Learning from Human Feedback (RLHF) has been credited as the key advance that has allowed Large Language Models (LLMs) to effectively follow instructions and produce useful assistance. Classically, this involves generating completions from the LLM in response to a query before using a separate reward model to assign a score to the full completion. As an auto-regressive process, the LLM has to take many “actions” (selecting individual tokens) and only receives a single, sparse reward at the end of an episode, a setup that is known to be difficult to optimise in traditional reinforcement learning. In this work we leverage the fact that the reward model contains more information than just its scalar output, in particular, it calculates an attention map over tokens as part of the transformer architecture. We use these attention weights to redistribute the reward along the whole completion, effectively densifying the signal and highlighting the most important tokens, all without incurring extra computational cost or requiring any additional modelling. We demonstrate that, theoretically, this approach is equivalent to potential-based reward shaping, ensuring that the optimal policy remains unchanged. Empirically, we show that it stabilises training, accelerates the rate of learning, and, in practical cases, may lead to better local optima.

Poster
Exponential Spectral Pursuit: An Effective Initialization Method for Sparse Phase Retrieval

Mengchu Xu, Yuxuan Zhang, Jian Wang

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Sparse phase retrieval aims to reconstruct an $n$-dimensional $k$-sparse signal from its phaseless measurements. For most of the existing reconstruction algorithms, their sampling complexity is known to be dominated by the initialization stage. In this paper, in order to improve the sampling complexity for initialization, we propose a novel method termed exponential spectral pursuit (ESP). Theoretically, our method offers a tighter bound of sampling complexity compared to the state-of-the-art ones, such as the truncated power method. Moreover, it empirically outperforms the existing initialization methods for sparse phase retrieval.

Poster
A Fresh Take on Stale Embeddings: Improving Dense Retriever Training with Corrector Networks

Nicholas Monath, Will Sussman Grathwohl, Michael Boratko, Rob Fergus, Andrew McCallum, Manzil Zaheer

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In dense retrieval, deep encoders provide embeddings for both inputs and targets, and the softmax function is used to parameterize a distribution over a large number of candidate targets (e.g., textual passages for information retrieval). Significant challenges arise in training such encoders in the increasingly prevalent scenario of (1) a large number of targets, (2) a computationally expensive target encoder model, (3) cached target embeddings that are out-of-date due to ongoing training of target encoder parameters. This paper presents a simple and highly scalable response to these challenges by training a small parametric _corrector network_ that adjusts stale cached target embeddings, enabling an accurate softmax approximation and thereby sampling of up-to-date high scoring "hard negatives." We theoretically investigate the generalization properties of our proposed target corrector, relating the complexity of the network, staleness of cached representations, and the amount of training data. We present experimental results on large benchmark dense retrieval datasets as well as on QA with retrieval augmented language models. Our approach matches state-of-the-art results even when no target embedding updates are made during training beyond an initial cache from the unsupervised pre-trained model, providing a 4-80x reduction in re-embedding computational cost.

Poster
InstructRetro: Instruction Tuning post Retrieval-Augmented Pretraining

Boxin Wang, Wei Ping, Lawrence McAfee, Peng Xu, Bo Li, Mohammad Shoeybi, Bryan Catanzaro

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Pretraining auto-regressive large language models (LLMs) with retrieval demonstrates better perplexity and factual accuracy by leveraging external databases. However, the size of existing pretrained retrieval-augmented LLM is still limited (e.g., Retro has 7.5B parameters), which limits the effectiveness of instruction tuning and zero-shot generalization. In this work, we introduce Retro 48B, the largest LLM pretrained with retrieval. Specifically, we continue to pretrain a 43B GPT model on additional 100 billion tokens using the Retro augmentation method by retrieving from 1.2 trillion tokens. Notably, the obtained foundation model, Retro 48B, largely outperforms the counterpart GPT 43B trained on 1.2T tokens in terms of perplexity with only 2.58% additional GPU hours, demonstrating the significant scaling potential of the method. After instruction tuning on Retro, InstructRetro demonstrates significant improvement over the instruction-tuned GPT on a wide range of zero-shot tasks. Specifically, the average improvement of InstructRetro is 7% over its GPT counterpart across 8 short-form QA and reading comprehension tasks, 10% over GPT across 4 challenging long-form QA tasks, and 16% over GPT across 3 summarization tasks. Surprisingly, we find that one can ablate the encoder from InstructRetro architecture and directly use its decoder backbone, while achieving comparable results. Our results highlight the promising direction to obtain a better GPT decoder through continued pretraining with retrieval before instruction tuning. Our code and checkpoints are publicly available at: https://huggingface.co/nvidia/retro-48b-instruct-4k.

Poster
DUPLEX: Dual GAT for Complex Embedding of Directed Graphs

Zhaoru Ke, Hang Yu, Jianguo Li, Haipeng Zhang

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Current directed graph embedding methods build upon undirected techniques but often inadequately capture directed edge information, leading to challenges such as: (1) Suboptimal representations for nodes with low in/out-degrees, due to the insufficient neighbor interactions; (2) Limited inductive ability for representing new nodes post-training; (3) Narrow generalizability, as training is overly coupled with specific tasks. In response, we propose DUPLEX, an inductive framework for complex embeddings of directed graphs. It (1) leverages Hermitian adjacency matrix decomposition for comprehensive neighbor integration, (2) employs a dual GAT encoder for directional neighbor modeling, and (3) features two parameter-free decoders to decouple training from particular tasks. DUPLEX outperforms state-of-the-art models, especially for nodes with sparse connectivity, and demonstrates robust inductive capability and adaptability across various tasks. The code will be available upon publication.

Poster
USTAD: Unified Single-model Training Achieving Diverse Scores for Information Retrieval

Seungyeon Kim, Ankit Singh Rawat, Manzil Zaheer, Wittawat Jitkrittum, Veeranjaneyulu Sadhanala, Sadeep Jayasumana, Aditya Krishna Menon, Rob Fergus, Sanjiv Kumar

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Modern information retrieval (IR) systems consists of multiple stages like retrieval and ranking, with Transformer-based models achieving state-of-the-art performance at each stage. In this paper, we challenge the tradition of using separate models for different stages and ask if a single Transformer encoder can provide relevance score needed in each stage. We present USTAD – a new unified approach to train a single network that can provide powerful ranking scores as a cross-encoder (CE) model as well as factorized embeddings for large-scale retrieval as a dual-encoder (DE) model. Empirically, we find a single USTAD model to be competitive to separate ranking CE and retrieval DE models. Furthermore, USTAD combines well with a novel embedding matching-based distillation, significantly improving CE to DE distillation. It further motivates novel asymmetric architectures for student models to ensure a better embedding alignment between the student and the teacher while ensuring small online inference cost. On standard benchmarks like MSMARCO, we demonstrate that USTAD with our proposed distillation method leads to asymmetric students with only 1/10th trainable parameter but retaining 95-97% of the teacher performance.

Poster
Exploring the Benefit of Activation Sparsity in Pre-training

Zhengyan Zhang, Chaojun Xiao, Qiujieli Qin, Yankai Lin, Zhiyuan Zeng, XU HAN, Zhiyuan Liu, Ruobing Xie, Maosong Sun, Jie Zhou

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Pre-trained Transformers inherently possess the characteristic of sparse activation, where only a small fraction of the neurons are activated for each token. While sparse activation has been explored through post-training methods, its potential in pre-training remains untapped. In this work, we first study how activation properties change during pre-training. Our examination reveals that Transformers exhibit sparse activation throughout the majority of the pre-training process while the activation correlation keeps evolving as training progresses. Leveraging this observation, we propose Switchable Sparse-Dense Learning (SSD). SSD adaptively switches between the Mixtures-of-Experts (MoE) based sparse training and the conventional dense training during the pre-training process, leveraging the efficiency of sparse training and avoiding the static activation correlation of sparse training. Compared to dense training, SSD achieves comparable performance with identical model size and reduces pre-training costs. Moreover, the models trained with SSD can be directly used as MoE models for sparse inference and achieve the same performance as dense models with up to $2\times$ faster inference speed. Codes are available at https://github.com/thunlp/moefication.

Poster
Benchmarking and Building Long-Context Retrieval Models with LoCo and M2-BERT

Jon Saad-Falcon, Daniel Y Fu, Simran Arora, Neel Guha, Christopher Re

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Retrieval pipelines are an integral component of many machine learning systems. However, they perform poorly in domains where documents are long (e.g., 10K tokens or more) and where identifying the relevant document requires synthesizing information across the entire text. Developing long-context retrieval encoders suitable for these domains raises three challenges: (1) how to evaluate long-context retrieval performance, (2) how to pretrain a base language model to represent both short contexts (corresponding to queries) and long contexts (corresponding to documents), and (3) how to finetune this model for retrieval under the batch size limitations imposed by GPU memory constraints. To address these challenges, we first introduce LoCoV1, a 12 task benchmark constructed to measure long-context retrieval where chunking is not possible or not effective. We next present the M2-BERT retrieval encoder, an 80M parameter state-space encoder model built from the Monarch Mixer architecture, capable of scaling to documents up to 32K tokens long. We describe a pretraining data mixture which allows this encoder to process both short and long context sequences, and a finetuning approach that adapts this base model to retrieval with only single-sample batches. Finally, we validate the M2-BERT retrieval encoder on LoCoV1, finding that it outperforms competitive Transformer-based models by at least 22.2 points, despite containing 90× fewer parameters.

Poster
Retrieval Across Any Domains via Large-scale Pre-trained Model

Jiexi Yan, Zhihui Yin, Chenghao Xu, Cheng Deng, Heng Huang

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In order to enhance the generalization ability towards unseen domains, universal cross-domain image retrieval methods require a training dataset encompassing diverse domains, which is costly to assemble. Given this constraint, we introduce a novel problem of data-free adaptive cross-domain retrieval, eliminating the need for real images during training. Towards this goal, we propose a novel Text-driven Knowledge Integration (TKI) method, which exclusively utilizes a pre-trained vision-language model to implement an ``aggregation after expansion" training strategy. Specifically, we extract diverse implicit domain-specific information through a set of learnable domain word vectors. Subsequently, a domain-agnostic universal projection, equipped with a non-Euclidean multi-layer perceptron, can be optimized using these assorted text descriptions through the text-proxied domain aggregation. Leveraging the cross-modal transferability phenomenon of the shared latent space, we can integrate the trained domain-agnostic universal projection with the pre-trained visual encoder to extract the features of the input image for the following retrieval during testing. Extensive experimental results on several benchmark datasets demonstrate the superiority of our method.

Poster
Compute Better Spent: Replacing Dense Layers with Structured Matrices

Shikai Qiu, Andres Potapczynski, Marc Anton Finzi, Micah Goldblum, Andrew Gordon Wilson

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Dense linear layers are the dominant computational bottleneck in foundation models. Identifying more efficient alternatives to dense matrices has enormous potential for building more compute-efficient models, as exemplified by the success of convolutional networks in the image domain. In this work, we systematically explore structured matrices as replacements for dense matrices. We show that different structures often require drastically different initialization scales and learning rates, which are crucial to performance, especially as models scale. Using insights from the Maximal Update Parameterization, we determine the optimal scaling for initialization and learning rates of these unconventional layers. Finally, we measure the scaling laws of different structures to compare how quickly their performance improves with compute. We propose a novel matrix family containing Monarch matrices, the Block Tensor-Train (BTT), which we show performs better than dense matrices for the same compute on multiple tasks. On CIFAR-10/100 with augmentation, BTT achieves exponentially lower training loss than dense when training MLPs and ViTs. BTT matches dense ViT-S/32 performance on ImageNet-1k with 3.8 times less compute and is more efficient than dense for training small GPT-2 language models.

Poster
Dual Operating Modes of In-Context Learning

Ziqian Lin, Kangwook Lee

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In-context learning (ICL) exhibits dual operating modes: ***task learning***, i.e., acquiring a new skill from in-context samples, and ***task retrieval***, i.e., locating and activating a relevant pretrained skill. Recent theoretical work proposes various mathematical models to analyze ICL, but they cannot fully explain the duality. In this work, we analyze a generalized probabilistic model for pretraining data, obtaining a quantitative understanding of the two operating modes of ICL. Leveraging our analysis, we provide the first explanation of an unexplained phenomenon observed with real-world large language models (LLMs). Under some settings, the ICL risk initially increases and then decreases with more in-context examples. Our analysis offers a plausible explanation for this "early ascent" phenomenon: a limited number of in-context samples may lead to the retrieval of an incorrect skill, thereby increasing the risk, which will eventually diminish as task learning takes effect with more in-context samples. We also analyze ICL with biased labels, e.g., zero-shot ICL, where in-context examples are assigned random labels, and predict the bounded efficacy of such approaches. We corroborate our analysis and predictions with extensive experiments with Transformers and LLMs.

Poster
Accelerating Iterative Retrieval-augmented Language Model Serving with Speculation

Zhihao Zhang, Alan Zhu, Lijie Yang, Yihua Xu, Lanting Li, Phitchaya Mangpo Phothilimthana, Zhihao Jia

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This paper introduces RaLMSpec, a framework that accelerates iterative retrieval-augmented language model (RaLM) with *speculative retrieval* and *batched verification*. RaLMSpec further introduces several important systems optimizations, including prefetching, optimal speculation stride scheduler, and asynchronous verification. The combination of these techniques allows RaLMSPec to significantly outperform existing systems. For document-level iterative RaLM serving, evaluation over three LLMs on four QA datasets shows that RaLMSpec improves over existing approaches by $1.75$-$2.39\times$, $1.04$-$1.39\times$, and $1.31$-$1.77\times$ when the retriever is an exact dense retriever, approximate dense retriever, and sparse retriever respectively. For token-level iterative RaLM (KNN-LM) serving, RaLMSpec is up to $7.59\times$ and $2.45\times$ faster than existing methods for exact dense and approximate dense retrievers, respectively.

Poster
Parsimonious Learning-Augmented Approximations for Dense Instances of $\mathcal{NP}$-hard Problems

Evripidis Bampis, Bruno Escoffier, Michalis Xefteris

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The classical work of (Arora et al., 1999) provides a scheme that gives, for any $\epsilon>0$, a polynomial time $1-\epsilon$ approximation algorithm for dense instances of a family of $\mathcal{NP}$-hard problems, such as Max-CUT and Max-$k$-SAT. In this paper we extend and speed up this scheme using a logarithmic number of one-bit predictions. We propose a learning augmented framework which aims at finding fast algorithms which guarantees approximation consistency, smoothness and robustness with respect to the prediction error. We provide such algorithms, which moreover use predictions parsimoniously, for dense instances of various optimization problems.

Poster
A Statistical Framework for Data-dependent Retrieval-Augmented Models

Soumya Basu, Ankit Singh Rawat, Manzil Zaheer

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Modern ML systems increasingly augment input instances with additional relevant information to enhance final prediction. Despite growing interest in such retrieval-augmented models, their fundamental properties and training are not well understood. We propose a statistical framework to study such models with two components: 1) a retriever to identify the relevant information out of a large corpus via a data-dependent metric; and 2) a predictor that consumes the input instances along with the retrieved information to make the final predictions. We present a principled method for end-to-end training of both components and draw connections with various training approaches in the literature. Furthermore, we establish excess risk bounds for retrieval-augmented models while delineating the contributions of both retriever and predictor towards the model performance.We validate the utility of our proposed training methods along with the key takeaways from our statistical analysis on open domain question answering task where retrieval augmentation is important.

Poster
DiffFPR: Diffusion Prior for Oversampled Fourier Phase Retrieval

Ji Li, Chao Wang

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This paper tackled the challenging Fourier phase retrieval problem, the *absolute uniqueness* of which does not hold. The existence of *equivalent solution* (a.k.a. trivial solution ambiguity) hinders the successful recovery, especially for multi-channel color image. The traditional iterative engine, such as the Relaxed Averaged Alternating Reflections (RAAR), can be applied to reconstruct the image channel-wisely. However, due to the *relative uniqueness* of the solution, the restoration is not automatically aligned with the accurate orientation for each channel, resulting in a reconstructed image that deviates significantly from the true solution manifold. To address this issue, by penalizing the mismatch of the image channels, a diffusion model as the strong prior of the color image is integrated into the iterative engine. The combination of the traditional iterative engine and the diffusion model provides an effective solution to the oversampled Fourier phase retrieval. The formed algorithm, *DiffFPR*, is validated by experiments. The code is available at https://github.com/Chilie/DiffFPR.

Poster