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Dec 11

POINT$^{2}$: A Polymer Informatics Training and Testing Database

The advancement of polymer informatics has been significantly propelled by the integration of machine learning (ML) techniques, enabling the rapid prediction of polymer properties and expediting the discovery of high-performance polymeric materials. However, the field lacks a standardized workflow that encompasses prediction accuracy, uncertainty quantification, ML interpretability, and polymer synthesizability. In this study, we introduce POINT^{2} (POlymer INformatics Training and Testing), a comprehensive benchmark database and protocol designed to address these critical challenges. Leveraging the existing labeled datasets and the unlabeled PI1M dataset, a collection of approximately one million virtual polymers generated via a recurrent neural network trained on the realistic polymers, we develop an ensemble of ML models, including Quantile Random Forests, Multilayer Perceptrons with dropout, Graph Neural Networks, and pretrained large language models. These models are coupled with diverse polymer representations such as Morgan, MACCS, RDKit, Topological, Atom Pair fingerprints, and graph-based descriptors to achieve property predictions, uncertainty estimations, model interpretability, and template-based polymerization synthesizability across a spectrum of properties, including gas permeability, thermal conductivity, glass transition temperature, melting temperature, fractional free volume, and density. The POINT^{2} database can serve as a valuable resource for the polymer informatics community for polymer discovery and optimization.

  • 5 authors
·
Mar 30

A Critical Review of Recurrent Neural Networks for Sequence Learning

Countless learning tasks require dealing with sequential data. Image captioning, speech synthesis, and music generation all require that a model produce outputs that are sequences. In other domains, such as time series prediction, video analysis, and musical information retrieval, a model must learn from inputs that are sequences. Interactive tasks, such as translating natural language, engaging in dialogue, and controlling a robot, often demand both capabilities. Recurrent neural networks (RNNs) are connectionist models that capture the dynamics of sequences via cycles in the network of nodes. Unlike standard feedforward neural networks, recurrent networks retain a state that can represent information from an arbitrarily long context window. Although recurrent neural networks have traditionally been difficult to train, and often contain millions of parameters, recent advances in network architectures, optimization techniques, and parallel computation have enabled successful large-scale learning with them. In recent years, systems based on long short-term memory (LSTM) and bidirectional (BRNN) architectures have demonstrated ground-breaking performance on tasks as varied as image captioning, language translation, and handwriting recognition. In this survey, we review and synthesize the research that over the past three decades first yielded and then made practical these powerful learning models. When appropriate, we reconcile conflicting notation and nomenclature. Our goal is to provide a self-contained explication of the state of the art together with a historical perspective and references to primary research.

  • 3 authors
·
May 29, 2015

Skip a Layer or Loop it? Test-Time Depth Adaptation of Pretrained LLMs

Can a pretrained neural network adapt its architecture to different inputs without any finetuning? Do we need all layers for simple tasks, and are they adequate for challenging tasks? We found that the layers of a pretrained large language model (LLM) can be manipulated as separate modules to build a better and even shallower model customized for each test sample. In particular, each layer from the pretrained model can be skipped/pruned or repeated multiple times as recurrent neural networks (RNN), and stacked with others in arbitrary orders, yielding a chain-of-layers (CoLa) per sample. This compositional space greatly expands the scope of existing works on looped/recurrent pretrained modules, layer pruning, or early-exit networks. We develop a Monte Carlo Tree Search (MCTS) protocol to explore and identify the optimal CoLa for each sample from math and commonsense reasoning benchmarks. Compared to a static model of a fixed depth, CoLa allows shortcut paths (fast thinking), recurrence of the same layer(s) (slow thinking), and combining both, offering more flexible, dynamic architectures for different inputs. We conduct an extensive analysis of the MCTS-optimized CoLa, which leads to two key findings: (1) For >75% of samples with correct predictions by the original LLM, we can find shorter CoLa, suggesting a large space for improving inference efficiency; (2) For >60% of samples with originally incorrect predictions, we can identify CoLa achieving correct predictions, suggesting a large space of performance enhancement. Our results highlight the shortcomings of using a fixed architecture of pre-trained LLMs for inference on different samples and pave the way to unlock the generalization power of test-time depth adaptation.

  • 3 authors
·
Jul 10 14

Investigating Sparsity in Recurrent Neural Networks

In the past few years, neural networks have evolved from simple Feedforward Neural Networks to more complex neural networks, such as Convolutional Neural Networks and Recurrent Neural Networks. Where CNNs are a perfect fit for tasks where the sequence is not important such as image recognition, RNNs are useful when order is important such as machine translation. An increasing number of layers in a neural network is one way to improve its performance, but it also increases its complexity making it much more time and power-consuming to train. One way to tackle this problem is to introduce sparsity in the architecture of the neural network. Pruning is one of the many methods to make a neural network architecture sparse by clipping out weights below a certain threshold while keeping the performance near to the original. Another way is to generate arbitrary structures using random graphs and embed them between an input and output layer of an Artificial Neural Network. Many researchers in past years have focused on pruning mainly CNNs, while hardly any research is done for the same in RNNs. The same also holds in creating sparse architectures for RNNs by generating and embedding arbitrary structures. Therefore, this thesis focuses on investigating the effects of the before-mentioned two techniques on the performance of RNNs. We first describe the pruning of RNNs, its impact on the performance of RNNs, and the number of training epochs required to regain accuracy after the pruning is performed. Next, we continue with the creation and training of Sparse Recurrent Neural Networks and identify the relation between the performance and the graph properties of its underlying arbitrary structure. We perform these experiments on RNN with Tanh nonlinearity (RNN-Tanh), RNN with ReLU nonlinearity (RNN-ReLU), GRU, and LSTM. Finally, we analyze and discuss the results achieved from both the experiments.

  • 1 authors
·
Jul 30, 2024

Universal Transformers

Recurrent neural networks (RNNs) sequentially process data by updating their state with each new data point, and have long been the de facto choice for sequence modeling tasks. However, their inherently sequential computation makes them slow to train. Feed-forward and convolutional architectures have recently been shown to achieve superior results on some sequence modeling tasks such as machine translation, with the added advantage that they concurrently process all inputs in the sequence, leading to easy parallelization and faster training times. Despite these successes, however, popular feed-forward sequence models like the Transformer fail to generalize in many simple tasks that recurrent models handle with ease, e.g. copying strings or even simple logical inference when the string or formula lengths exceed those observed at training time. We propose the Universal Transformer (UT), a parallel-in-time self-attentive recurrent sequence model which can be cast as a generalization of the Transformer model and which addresses these issues. UTs combine the parallelizability and global receptive field of feed-forward sequence models like the Transformer with the recurrent inductive bias of RNNs. We also add a dynamic per-position halting mechanism and find that it improves accuracy on several tasks. In contrast to the standard Transformer, under certain assumptions, UTs can be shown to be Turing-complete. Our experiments show that UTs outperform standard Transformers on a wide range of algorithmic and language understanding tasks, including the challenging LAMBADA language modeling task where UTs achieve a new state of the art, and machine translation where UTs achieve a 0.9 BLEU improvement over Transformers on the WMT14 En-De dataset.

  • 5 authors
·
Jul 10, 2018

pLSTM: parallelizable Linear Source Transition Mark networks

Modern recurrent architectures, such as xLSTM and Mamba, have recently challenged the Transformer in language modeling. However, their structure constrains their applicability to sequences only or requires processing multi-dimensional data structures, such as images or molecular graphs, in a pre-defined sequential order. In contrast, Multi-Dimensional RNNs (MDRNNs) are well suited for data with a higher level structure, like 2D grids, trees, and directed acyclic graphs (DAGs). In this work, we extend the notion of multi-dimensionality to linear RNNs. We introduce parallelizable Linear Source Transition Mark networks (pLSTMs) using Source, Transition, and Mark gates that act on the line graph of a general DAG. This enables parallelization in analogy to parallel associative scans and the chunkwise-recurrent form of sequential linear RNNs, but for DAGs. For regular grids (1D and 2D), like images, this scheme can be efficiently implemented using einsum operations, concatenations, and padding in logarithmic time. pLSTMs tackle the vanishing/exploding activation/gradient problem for long distances in DAGs via two distinct modes: a directed propagation mode (P-mode) and a diffusive distribution mode (D-mode). To showcase the long-range capabilities of pLSTM, we introduce arrow-pointing extrapolation as a synthetic computer vision task that contains long-distance directional information. We demonstrate that pLSTMs generalize well to larger image sizes, whereas Transformers struggle to extrapolate. On established molecular graph and computer vision benchmarks, pLSTMs also show strong performance. Code and Datasets are available at: https://github.com/ml-jku/plstm_experiments.

  • 5 authors
·
Jun 13 2

Universal Approximation Theorem for a Single-Layer Transformer

Deep learning employs multi-layer neural networks trained via the backpropagation algorithm. This approach has achieved success across many domains and relies on adaptive gradient methods such as the Adam optimizer. Sequence modeling evolved from recurrent neural networks to attention-based models, culminating in the Transformer architecture. Transformers have achieved state-of-the-art performance in natural language processing (for example, BERT and GPT-3) and have been applied in computer vision and computational biology. However, theoretical understanding of these models remains limited. In this paper, we examine the mathematical foundations of deep learning and Transformers and present a novel theoretical result. We review key concepts from linear algebra, probability, and optimization that underpin deep learning, and we analyze the multi-head self-attention mechanism and the backpropagation algorithm in detail. Our main contribution is a universal approximation theorem for Transformers: we prove that a single-layer Transformer, comprising one self-attention layer followed by a position-wise feed-forward network with ReLU activation, can approximate any continuous sequence-to-sequence mapping on a compact domain to arbitrary precision. We provide a formal statement and a complete proof. Finally, we present case studies that demonstrate the practical implications of this result. Our findings advance the theoretical understanding of Transformer models and help bridge the gap between theory and practice.

  • 1 authors
·
Jul 11

Attention as an RNN

The advent of Transformers marked a significant breakthrough in sequence modelling, providing a highly performant architecture capable of leveraging GPU parallelism. However, Transformers are computationally expensive at inference time, limiting their applications, particularly in low-resource settings (e.g., mobile and embedded devices). Addressing this, we (1) begin by showing that attention can be viewed as a special Recurrent Neural Network (RNN) with the ability to compute its many-to-one RNN output efficiently. We then (2) show that popular attention-based models such as Transformers can be viewed as RNN variants. However, unlike traditional RNNs (e.g., LSTMs), these models cannot be updated efficiently with new tokens, an important property in sequence modelling. Tackling this, we (3) introduce a new efficient method of computing attention's many-to-many RNN output based on the parallel prefix scan algorithm. Building on the new attention formulation, we (4) introduce Aaren, an attention-based module that can not only (i) be trained in parallel (like Transformers) but also (ii) be updated efficiently with new tokens, requiring only constant memory for inferences (like traditional RNNs). Empirically, we show Aarens achieve comparable performance to Transformers on 38 datasets spread across four popular sequential problem settings: reinforcement learning, event forecasting, time series classification, and time series forecasting tasks while being more time and memory-efficient.

  • 6 authors
·
May 22, 2024 1

Long-term Recurrent Convolutional Networks for Visual Recognition and Description

Models based on deep convolutional networks have dominated recent image interpretation tasks; we investigate whether models which are also recurrent, or "temporally deep", are effective for tasks involving sequences, visual and otherwise. We develop a novel recurrent convolutional architecture suitable for large-scale visual learning which is end-to-end trainable, and demonstrate the value of these models on benchmark video recognition tasks, image description and retrieval problems, and video narration challenges. In contrast to current models which assume a fixed spatio-temporal receptive field or simple temporal averaging for sequential processing, recurrent convolutional models are "doubly deep"' in that they can be compositional in spatial and temporal "layers". Such models may have advantages when target concepts are complex and/or training data are limited. Learning long-term dependencies is possible when nonlinearities are incorporated into the network state updates. Long-term RNN models are appealing in that they directly can map variable-length inputs (e.g., video frames) to variable length outputs (e.g., natural language text) and can model complex temporal dynamics; yet they can be optimized with backpropagation. Our recurrent long-term models are directly connected to modern visual convnet models and can be jointly trained to simultaneously learn temporal dynamics and convolutional perceptual representations. Our results show such models have distinct advantages over state-of-the-art models for recognition or generation which are separately defined and/or optimized.

  • 7 authors
·
Nov 17, 2014

Sequence to Sequence Learning with Neural Networks

Deep Neural Networks (DNNs) are powerful models that have achieved excellent performance on difficult learning tasks. Although DNNs work well whenever large labeled training sets are available, they cannot be used to map sequences to sequences. In this paper, we present a general end-to-end approach to sequence learning that makes minimal assumptions on the sequence structure. Our method uses a multilayered Long Short-Term Memory (LSTM) to map the input sequence to a vector of a fixed dimensionality, and then another deep LSTM to decode the target sequence from the vector. Our main result is that on an English to French translation task from the WMT'14 dataset, the translations produced by the LSTM achieve a BLEU score of 34.8 on the entire test set, where the LSTM's BLEU score was penalized on out-of-vocabulary words. Additionally, the LSTM did not have difficulty on long sentences. For comparison, a phrase-based SMT system achieves a BLEU score of 33.3 on the same dataset. When we used the LSTM to rerank the 1000 hypotheses produced by the aforementioned SMT system, its BLEU score increases to 36.5, which is close to the previous best result on this task. The LSTM also learned sensible phrase and sentence representations that are sensitive to word order and are relatively invariant to the active and the passive voice. Finally, we found that reversing the order of the words in all source sentences (but not target sentences) improved the LSTM's performance markedly, because doing so introduced many short term dependencies between the source and the target sentence which made the optimization problem easier.

  • 3 authors
·
Sep 10, 2014

ParaRNN: Unlocking Parallel Training of Nonlinear RNNs for Large Language Models

Recurrent Neural Networks (RNNs) laid the foundation for sequence modeling, but their intrinsic sequential nature restricts parallel computation, creating a fundamental barrier to scaling. This has led to the dominance of parallelizable architectures like Transformers and, more recently, State Space Models (SSMs). While SSMs achieve efficient parallelization through structured linear recurrences, this linearity constraint limits their expressive power and precludes modeling complex, nonlinear sequence-wise dependencies. To address this, we present ParaRNN, a framework that breaks the sequence-parallelization barrier for nonlinear RNNs. Building on prior work, we cast the sequence of nonlinear recurrence relationships as a single system of equations, which we solve in parallel using Newton's iterations combined with custom parallel reductions. Our implementation achieves speedups of up to 665x over naive sequential application, allowing training nonlinear RNNs at unprecedented scales. To showcase this, we apply ParaRNN to adaptations of LSTM and GRU architectures, successfully training models of 7B parameters that attain perplexity comparable to similarly-sized Transformers and Mamba2 architectures. To accelerate research in efficient sequence modeling, we release the ParaRNN codebase as an open-source framework for automatic training-parallelization of nonlinear RNNs, enabling researchers and practitioners to explore new nonlinear RNN models at scale.

  • 5 authors
·
Oct 24

Recoding latent sentence representations -- Dynamic gradient-based activation modification in RNNs

In Recurrent Neural Networks (RNNs), encoding information in a suboptimal or erroneous way can impact the quality of representations based on later elements in the sequence and subsequently lead to wrong predictions and a worse model performance. In humans, challenging cases like garden path sentences (an instance of this being the infamous "The horse raced past the barn fell") can lead their language understanding astray. However, they are still able to correct their representation accordingly and recover when new information is encountered. Inspired by this, I propose an augmentation to standard RNNs in form of a gradient-based correction mechanism: This way I hope to enable such models to dynamically adapt their inner representation of a sentence, adding a way to correct deviations as soon as they occur. This could therefore lead to more robust models using more flexible representations, even during inference time. I conduct different experiments in the context of language modeling, where the impact of using such a mechanism is examined in detail. To this end, I look at modifications based on different kinds of time-dependent error signals and how they influence the model performance. Furthermore, this work contains a study of the model's confidence in its predictions during training and for challenging test samples and the effect of the manipulation thereof. Lastly, I also study the difference in behavior of these novel models compared to a standard LSTM baseline and investigate error cases in detail to identify points of future research. I show that while the proposed approach comes with promising theoretical guarantees and an appealing intuition, it is only able to produce minor improvements over the baseline due to challenges in its practical application and the efficacy of the tested model variants.

  • 1 authors
·
Jan 3, 2021

Adding Gradient Noise Improves Learning for Very Deep Networks

Deep feedforward and recurrent networks have achieved impressive results in many perception and language processing applications. This success is partially attributed to architectural innovations such as convolutional and long short-term memory networks. The main motivation for these architectural innovations is that they capture better domain knowledge, and importantly are easier to optimize than more basic architectures. Recently, more complex architectures such as Neural Turing Machines and Memory Networks have been proposed for tasks including question answering and general computation, creating a new set of optimization challenges. In this paper, we discuss a low-overhead and easy-to-implement technique of adding gradient noise which we find to be surprisingly effective when training these very deep architectures. The technique not only helps to avoid overfitting, but also can result in lower training loss. This method alone allows a fully-connected 20-layer deep network to be trained with standard gradient descent, even starting from a poor initialization. We see consistent improvements for many complex models, including a 72% relative reduction in error rate over a carefully-tuned baseline on a challenging question-answering task, and a doubling of the number of accurate binary multiplication models learned across 7,000 random restarts. We encourage further application of this technique to additional complex modern architectures.

  • 7 authors
·
Nov 20, 2015

MossFormer2: Combining Transformer and RNN-Free Recurrent Network for Enhanced Time-Domain Monaural Speech Separation

Our previously proposed MossFormer has achieved promising performance in monaural speech separation. However, it predominantly adopts a self-attention-based MossFormer module, which tends to emphasize longer-range, coarser-scale dependencies, with a deficiency in effectively modelling finer-scale recurrent patterns. In this paper, we introduce a novel hybrid model that provides the capabilities to model both long-range, coarse-scale dependencies and fine-scale recurrent patterns by integrating a recurrent module into the MossFormer framework. Instead of applying the recurrent neural networks (RNNs) that use traditional recurrent connections, we present a recurrent module based on a feedforward sequential memory network (FSMN), which is considered "RNN-free" recurrent network due to the ability to capture recurrent patterns without using recurrent connections. Our recurrent module mainly comprises an enhanced dilated FSMN block by using gated convolutional units (GCU) and dense connections. In addition, a bottleneck layer and an output layer are also added for controlling information flow. The recurrent module relies on linear projections and convolutions for seamless, parallel processing of the entire sequence. The integrated MossFormer2 hybrid model demonstrates remarkable enhancements over MossFormer and surpasses other state-of-the-art methods in WSJ0-2/3mix, Libri2Mix, and WHAM!/WHAMR! benchmarks.

  • 10 authors
·
Dec 18, 2023

Continual Learning with Dependency Preserving Hypernetworks

Humans learn continually throughout their lifespan by accumulating diverse knowledge and fine-tuning it for future tasks. When presented with a similar goal, neural networks suffer from catastrophic forgetting if data distributions across sequential tasks are not stationary over the course of learning. An effective approach to address such continual learning (CL) problems is to use hypernetworks which generate task dependent weights for a target network. However, the continual learning performance of existing hypernetwork based approaches are affected by the assumption of independence of the weights across the layers in order to maintain parameter efficiency. To address this limitation, we propose a novel approach that uses a dependency preserving hypernetwork to generate weights for the target network while also maintaining the parameter efficiency. We propose to use recurrent neural network (RNN) based hypernetwork that can generate layer weights efficiently while allowing for dependencies across them. In addition, we propose novel regularisation and network growth techniques for the RNN based hypernetwork to further improve the continual learning performance. To demonstrate the effectiveness of the proposed methods, we conducted experiments on several image classification continual learning tasks and settings. We found that the proposed methods based on the RNN hypernetworks outperformed the baselines in all these CL settings and tasks.

  • 4 authors
·
Sep 16, 2022

Combining Recurrent, Convolutional, and Continuous-time Models with Linear State-Space Layers

Recurrent neural networks (RNNs), temporal convolutions, and neural differential equations (NDEs) are popular families of deep learning models for time-series data, each with unique strengths and tradeoffs in modeling power and computational efficiency. We introduce a simple sequence model inspired by control systems that generalizes these approaches while addressing their shortcomings. The Linear State-Space Layer (LSSL) maps a sequence u mapsto y by simply simulating a linear continuous-time state-space representation x = Ax + Bu, y = Cx + Du. Theoretically, we show that LSSL models are closely related to the three aforementioned families of models and inherit their strengths. For example, they generalize convolutions to continuous-time, explain common RNN heuristics, and share features of NDEs such as time-scale adaptation. We then incorporate and generalize recent theory on continuous-time memorization to introduce a trainable subset of structured matrices A that endow LSSLs with long-range memory. Empirically, stacking LSSL layers into a simple deep neural network obtains state-of-the-art results across time series benchmarks for long dependencies in sequential image classification, real-world healthcare regression tasks, and speech. On a difficult speech classification task with length-16000 sequences, LSSL outperforms prior approaches by 24 accuracy points, and even outperforms baselines that use hand-crafted features on 100x shorter sequences.

  • 7 authors
·
Oct 26, 2021

Stuffed Mamba: State Collapse and State Capacity of RNN-Based Long-Context Modeling

One essential advantage of recurrent neural networks (RNNs) over transformer-based language models is their linear computational complexity concerning the sequence length, which makes them much faster in handling long sequences during inference. However, most publicly available RNNs (e.g., Mamba and RWKV) are trained on sequences with less than 10K tokens, and their effectiveness in longer contexts remains largely unsatisfying so far. In this paper, we study the cause of the inability to process long context for RNNs and suggest critical mitigations. We examine two practical concerns when applying state-of-the-art RNNs to long contexts: (1) the inability to extrapolate to inputs longer than the training length and (2) the upper bound of memory capacity. Addressing the first concern, we first investigate *state collapse* (SC), a phenomenon that causes severe performance degradation on sequence lengths not encountered during training. With controlled experiments, we attribute this to overfitting due to the recurrent state being overparameterized for the training length. For the second concern, we train a series of Mamba-2 models on long documents to empirically estimate the recurrent state capacity in language modeling and passkey retrieval. Then, three SC mitigation methods are proposed to improve Mamba-2's length generalizability, allowing the model to process more than 1M tokens without SC. We also find that the recurrent state capacity in passkey retrieval scales exponentially to the state size, and we empirically train a Mamba-2 370M with near-perfect passkey retrieval accuracy on 256K context length. This suggests a promising future for RNN-based long-context modeling.

  • 6 authors
·
Oct 9, 2024 3

Low Rank Factorization for Compact Multi-Head Self-Attention

Effective representation learning from text has been an active area of research in the fields of NLP and text mining. Attention mechanisms have been at the forefront in order to learn contextual sentence representations. Current state-of-the-art approaches for many NLP tasks use large pre-trained language models such as BERT, XLNet and so on for learning representations. These models are based on the Transformer architecture that involves recurrent blocks of computation consisting of multi-head self-attention and feedforward networks. One of the major bottlenecks largely contributing to the computational complexity of the Transformer models is the self-attention layer, that is both computationally expensive and parameter intensive. In this work, we introduce a novel multi-head self-attention mechanism operating on GRUs that is shown to be computationally cheaper and more parameter efficient than self-attention mechanism proposed in Transformers for text classification tasks. The efficiency of our approach mainly stems from two optimizations; 1) we use low-rank matrix factorization of the affinity matrix to efficiently get multiple attention distributions instead of having separate parameters for each head 2) attention scores are obtained by querying a global context vector instead of densely querying all the words in the sentence. We evaluate the performance of the proposed model on tasks such as sentiment analysis from movie reviews, predicting business ratings from reviews and classifying news articles into topics. We find that the proposed approach matches or outperforms a series of strong baselines and is more parameter efficient than comparable multi-head approaches. We also perform qualitative analyses to verify that the proposed approach is interpretable and captures context-dependent word importance.

  • 3 authors
·
Nov 26, 2019

A Practical Survey on Faster and Lighter Transformers

Recurrent neural networks are effective models to process sequences. However, they are unable to learn long-term dependencies because of their inherent sequential nature. As a solution, Vaswani et al. introduced the Transformer, a model solely based on the attention mechanism that is able to relate any two positions of the input sequence, hence modelling arbitrary long dependencies. The Transformer has improved the state-of-the-art across numerous sequence modelling tasks. However, its effectiveness comes at the expense of a quadratic computational and memory complexity with respect to the sequence length, hindering its adoption. Fortunately, the deep learning community has always been interested in improving the models' efficiency, leading to a plethora of solutions such as parameter sharing, pruning, mixed-precision, and knowledge distillation. Recently, researchers have directly addressed the Transformer's limitation by designing lower-complexity alternatives such as the Longformer, Reformer, Linformer, and Performer. However, due to the wide range of solutions, it has become challenging for researchers and practitioners to determine which methods to apply in practice in order to meet the desired trade-off between capacity, computation, and memory. This survey addresses this issue by investigating popular approaches to make Transformers faster and lighter and by providing a comprehensive explanation of the methods' strengths, limitations, and underlying assumptions.

  • 3 authors
·
Mar 26, 2021

Pooling And Attention: What Are Effective Designs For LLm-Based Embedding Models?

The significant advancements of Large Language Models (LLMs) in generative tasks have led to a growing body of work exploring LLM-based embedding models. While these models, employing different pooling and attention strategies, have achieved state-of-the-art performance on public embedding benchmarks, questions still arise about what constitutes an effective design for LLM-based embedding models. However, these models are often trained on different datasets, using different LLM base models or training settings. Moreover, evaluations on public embedding benchmarks often fail to report statistical significance, making it difficult to determine which designs truly contribute to final performance. This complicates the process for practitioners seeking optimal training recipes for LLM-based embedding models. In this study, we conduct a large-scale experiment by training a series of LLM-based embedding models using the same training data and base model but differing in their pooling and attention strategies. The results show that there is no one-size-fits-all solution: while bidirectional attention and an additional trainable pooling layer outperform in text similarity and information retrieval tasks, they do not significantly surpass simpler designs like EOS-last token pooling and default causal attention in clustering and classification tasks. Furthermore, we propose a new pooling strategy, Multi-Layers Trainable Pooling, which transforms the outputs of all hidden layers, rather than just the last layer, using a cross-attention network. This method proves to be statistically superior in text similarity and retrieval tasks compared to existing pooling methods. Overall, this paper sheds light on effective training strategies for LLM-based embedding models.

  • 2 authors
·
Sep 4, 2024

Word and Document Embeddings based on Neural Network Approaches

Data representation is a fundamental task in machine learning. The representation of data affects the performance of the whole machine learning system. In a long history, the representation of data is done by feature engineering, and researchers aim at designing better features for specific tasks. Recently, the rapid development of deep learning and representation learning has brought new inspiration to various domains. In natural language processing, the most widely used feature representation is the Bag-of-Words model. This model has the data sparsity problem and cannot keep the word order information. Other features such as part-of-speech tagging or more complex syntax features can only fit for specific tasks in most cases. This thesis focuses on word representation and document representation. We compare the existing systems and present our new model. First, for generating word embeddings, we make comprehensive comparisons among existing word embedding models. In terms of theory, we figure out the relationship between the two most important models, i.e., Skip-gram and GloVe. In our experiments, we analyze three key points in generating word embeddings, including the model construction, the training corpus and parameter design. We evaluate word embeddings with three types of tasks, and we argue that they cover the existing use of word embeddings. Through theory and practical experiments, we present some guidelines for how to generate a good word embedding. Second, in Chinese character or word representation. We introduce the joint training of Chinese character and word. ... Third, for document representation, we analyze the existing document representation models, including recursive NNs, recurrent NNs and convolutional NNs. We point out the drawbacks of these models and present our new model, the recurrent convolutional neural networks. ...

  • 1 authors
·
Nov 17, 2016

Titans: Learning to Memorize at Test Time

Over more than a decade there has been an extensive research effort on how to effectively utilize recurrent models and attention. While recurrent models aim to compress the data into a fixed-size memory (called hidden state), attention allows attending to the entire context window, capturing the direct dependencies of all tokens. This more accurate modeling of dependencies, however, comes with a quadratic cost, limiting the model to a fixed-length context. We present a new neural long-term memory module that learns to memorize historical context and helps attention to attend to the current context while utilizing long past information. We show that this neural memory has the advantage of fast parallelizable training while maintaining a fast inference. From a memory perspective, we argue that attention due to its limited context but accurate dependency modeling performs as a short-term memory, while neural memory due to its ability to memorize the data, acts as a long-term, more persistent, memory. Based on these two modules, we introduce a new family of architectures, called Titans, and present three variants to address how one can effectively incorporate memory into this architecture. Our experimental results on language modeling, common-sense reasoning, genomics, and time series tasks show that Titans are more effective than Transformers and recent modern linear recurrent models. They further can effectively scale to larger than 2M context window size with higher accuracy in needle-in-haystack tasks compared to baselines.

  • 3 authors
·
Dec 31, 2024 3

Emergent mechanisms for long timescales depend on training curriculum and affect performance in memory tasks

Recurrent neural networks (RNNs) in the brain and in silico excel at solving tasks with intricate temporal dependencies. Long timescales required for solving such tasks can arise from properties of individual neurons (single-neuron timescale, tau, e.g., membrane time constant in biological neurons) or recurrent interactions among them (network-mediated timescale). However, the contribution of each mechanism for optimally solving memory-dependent tasks remains poorly understood. Here, we train RNNs to solve N-parity and N-delayed match-to-sample tasks with increasing memory requirements controlled by N by simultaneously optimizing recurrent weights and taus. We find that for both tasks RNNs develop longer timescales with increasing N, but depending on the learning objective, they use different mechanisms. Two distinct curricula define learning objectives: sequential learning of a single-N (single-head) or simultaneous learning of multiple Ns (multi-head). Single-head networks increase their tau with N and are able to solve tasks for large N, but they suffer from catastrophic forgetting. However, multi-head networks, which are explicitly required to hold multiple concurrent memories, keep tau constant and develop longer timescales through recurrent connectivity. Moreover, we show that the multi-head curriculum increases training speed and network stability to ablations and perturbations, and allows RNNs to generalize better to tasks beyond their training regime. This curriculum also significantly improves training GRUs and LSTMs for large-N tasks. Our results suggest that adapting timescales to task requirements via recurrent interactions allows learning more complex objectives and improves the RNN's performance.

  • 6 authors
·
Sep 22, 2023

Just read twice: closing the recall gap for recurrent language models

Recurrent large language models that compete with Transformers in language modeling perplexity are emerging at a rapid rate (e.g., Mamba, RWKV). Excitingly, these architectures use a constant amount of memory during inference. However, due to the limited memory, recurrent LMs cannot recall and use all the information in long contexts leading to brittle in-context learning (ICL) quality. A key challenge for efficient LMs is selecting what information to store versus discard. In this work, we observe the order in which information is shown to the LM impacts the selection difficulty. To formalize this, we show that the hardness of information recall reduces to the hardness of a problem called set disjointness (SD), a quintessential problem in communication complexity that requires a streaming algorithm (e.g., recurrent model) to decide whether inputted sets are disjoint. We empirically and theoretically show that the recurrent memory required to solve SD changes with set order, i.e., whether the smaller set appears first in-context. Our analysis suggests, to mitigate the reliance on data order, we can put information in the right order in-context or process prompts non-causally. Towards that end, we propose: (1) JRT-Prompt, where context gets repeated multiple times in the prompt, effectively showing the model all data orders. This gives 11.0 pm 1.3 points of improvement, averaged across 16 recurrent LMs and the 6 ICL tasks, with 11.9times higher throughput than FlashAttention-2 for generation prefill (length 32k, batch size 16, NVidia H100). We then propose (2) JRT-RNN, which uses non-causal prefix-linear-attention to process prompts and provides 99% of Transformer quality at 360M params., 30B tokens and 96% at 1.3B params., 50B tokens on average across the tasks, with 19.2times higher throughput for prefill than FA2.

  • 9 authors
·
Jul 7, 2024

TCNCA: Temporal Convolution Network with Chunked Attention for Scalable Sequence Processing

MEGA is a recent transformer-based architecture, which utilizes a linear recurrent operator whose parallel computation, based on the FFT, scales as O(LlogL), with L being the sequence length. We build upon their approach by replacing the linear recurrence with a special temporal convolutional network which permits larger receptive field size with shallower networks, and reduces the computational complexity to O(L). The resulting model is called TCNCA, a Temporal Convolutional Network with Chunked Attention. We evaluate TCNCA on EnWik8 language modeling, long-range-arena (LRA) sequence classification, as well as a synthetic reasoning benchmark associative recall. On EnWik8, TCNCA outperforms MEGA, reaching a lower loss with 1.37times/1.24times faster forward/backward pass during training. The dilated convolutions used in TCNCA are consistently and significantly faster operations than the FFT-based parallelized recurrence in GPUs, making them a scalable candidate for handling very large sequence lengths: they are up to 7.07times/2.86times faster in the forward/backward pass for sequences up to 131k. Further on LRA, TCNCA achieves, on average, 1.28times speed-up during inference with similar accuracy to what MEGA achieves. On associative recall, we find that even a simplified version of TCNCA, without excessive multiplicative and additive interactions, remains superior or competitive to MEGA on a range of sequence lengths and vocabulary sizes.

  • 6 authors
·
Dec 9, 2023

In-Context Language Learning: Architectures and Algorithms

Large-scale neural language models exhibit a remarkable capacity for in-context learning (ICL): they can infer novel functions from datasets provided as input. Most of our current understanding of when and how ICL arises comes from LMs trained on extremely simple learning problems like linear regression and associative recall. There remains a significant gap between these model problems and the "real" ICL exhibited by LMs trained on large text corpora, which involves not just retrieval and function approximation but free-form generation of language and other structured outputs. In this paper, we study ICL through the lens of a new family of model problems we term in context language learning (ICLL). In ICLL, LMs are presented with a set of strings from a formal language, and must generate additional strings from the same language. We focus on in-context learning of regular languages generated by random finite automata. We evaluate a diverse set of neural sequence models (including several RNNs, Transformers, and state-space model variants) on regular ICLL tasks, aiming to answer three questions: (1) Which model classes are empirically capable of ICLL? (2) What algorithmic solutions do successful models implement to perform ICLL? (3) What architectural changes can improve ICLL in less performant models? We first show that Transformers significantly outperform neural sequence models with recurrent or convolutional representations on ICLL tasks. Next, we provide evidence that their ability to do so relies on specialized "n-gram heads" (higher-order variants of induction heads) that compute input-conditional next-token distributions. Finally, we show that hard-wiring these heads into neural models improves performance not just on ICLL, but natural language modeling -- improving the perplexity of 340M-parameter models by up to 1.14 points (6.7%) on the SlimPajama dataset.

  • 4 authors
·
Jan 23, 2024