Daily Papers

We investigate the predictability of large language model (LLM) capabilities: given records of past experiments using different model families, numbers of parameters, tasks, and numbers of in-context examples, can we accurately predict LLM performance on new experiment configurations? Answering this question has practical implications for LLM users (e.g., deciding which models to try), developers (e.g., prioritizing evaluation on representative tasks), and the research community (e.g., identifying hard-to-predict capabilities that warrant further investigation). We study the performance prediction problem on experiment records from BIG-bench. On a random train-test split, an MLP-based predictor achieves an R^2 score greater than 95%, indicating the presence of learnable patterns within the experiment records. We then formulate the problem of searching for "small-bench," an informative subset of BIG-bench tasks from which the performance on the full set can be maximally recovered. We find a subset as informative as BIG-bench Hard for evaluating new model families, while being 3times smaller. Additionally, we find competitive subsets by clustering task representations learned by our MLP-based predictor and selecting tasks close to cluster centroids, highlighting the importance of task diversity in constructing "small-bench."

There is evidence that the driving style of an autonomous vehicle is important to increase the acceptance and trust of the passengers. The driving situation has been found to have a significant influence on human driving behavior. However, current driving style models only partially incorporate driving environment information, limiting the alignment between an agent and the given situation. Therefore, we propose a situation-aware driving style model based on different visual feature encoders pretrained on fleet data, as well as driving behavior predictors, which are adapted to the driving style of a specific driver. Our experiments show that the proposed method outperforms static driving styles significantly and forms plausible situation clusters. Furthermore, we found that feature encoders pretrained on our dataset lead to more precise driving behavior modeling. In contrast, feature encoders pretrained supervised and unsupervised on different data sources lead to more specific situation clusters, which can be utilized to constrain and control the driving style adaptation for specific situations. Moreover, in a real-world setting, where driving style adaptation is happening iteratively, we found the MLP-based behavior predictors achieve good performance initially but suffer from catastrophic forgetting. In contrast, behavior predictors based on situationdependent statistics can learn iteratively from continuous data streams by design. Overall, our experiments show that important information for driving behavior prediction is contained within the visual feature encoder. The dataset is publicly available at huggingface.co/datasets/jHaselberger/SADC-Situation-Awareness-for-Driver-Centric-Driving-Style-Adaptation.

This paper does not introduce a novel method. Instead, it offers a fairer and more comprehensive comparison of KAN and MLP models across various tasks, including machine learning, computer vision, audio processing, natural language processing, and symbolic formula representation. Specifically, we control the number of parameters and FLOPs to compare the performance of KAN and MLP. Our main observation is that, except for symbolic formula representation tasks, MLP generally outperforms KAN. We also conduct ablation studies on KAN and find that its advantage in symbolic formula representation mainly stems from its B-spline activation function. When B-spline is applied to MLP, performance in symbolic formula representation significantly improves, surpassing or matching that of KAN. However, in other tasks where MLP already excels over KAN, B-spline does not substantially enhance MLP's performance. Furthermore, we find that KAN's forgetting issue is more severe than that of MLP in a standard class-incremental continual learning setting, which differs from the findings reported in the KAN paper. We hope these results provide insights for future research on KAN and other MLP alternatives. Project link: https://github.com/yu-rp/KANbeFair

Recent advancements in both representation learning and function learning have demonstrated substantial promise across diverse domains of artificial intelligence. However, the effective integration of these paradigms poses a significant challenge, particularly in cases where users must manually decide whether to apply a representation learning or function learning model based on dataset characteristics. To address this issue, we introduce MLP-KAN, a unified method designed to eliminate the need for manual model selection. By integrating Multi-Layer Perceptrons (MLPs) for representation learning and Kolmogorov-Arnold Networks (KANs) for function learning within a Mixture-of-Experts (MoE) architecture, MLP-KAN dynamically adapts to the specific characteristics of the task at hand, ensuring optimal performance. Embedded within a transformer-based framework, our work achieves remarkable results on four widely-used datasets across diverse domains. Extensive experimental evaluation demonstrates its superior versatility, delivering competitive performance across both deep representation and function learning tasks. These findings highlight the potential of MLP-KAN to simplify the model selection process, offering a comprehensive, adaptable solution across various domains. Our code and weights are available at https://github.com/DLYuanGod/MLP-KAN.

In this work we revisit the most fundamental building block in deep learning, the multi-layer perceptron (MLP), and study the limits of its performance on vision tasks. Empirical insights into MLPs are important for multiple reasons. (1) Given the recent narrative "less inductive bias is better", popularized due to transformers eclipsing convolutional models, it is natural to explore the limits of this hypothesis. To that end, MLPs offer an ideal test bed, being completely free of any inductive bias. (2) MLPs have almost exclusively been the main protagonist in the deep learning theory literature due to their mathematical simplicity, serving as a proxy to explain empirical phenomena observed for more complex architectures. Surprisingly, experimental datapoints for MLPs are very difficult to find in the literature, especially when coupled with large pre-training protocols. This discrepancy between practice and theory is worrying: Do MLPs reflect the empirical advances exhibited by practical models? Or do theorists need to rethink the role of MLPs as a proxy? We provide insights into both these aspects. We show that the performance of MLPs drastically improves with scale (93% on CIFAR10, 79% on CIFAR100, 69% on TinyImageNet), highlighting that lack of inductive bias can indeed be compensated. We observe that MLPs mimic the behaviour of their modern counterparts faithfully, with some components in the learning setting however surprisingly exhibiting stronger or unexpected behaviours. Due to their inherent computational efficiency, large pre-training experiments become more accessible for academic researchers. All of our experiments were run on a single GPU.

Despite the remarkable success achieved by neural networks, particularly those represented by MLP and Transformer, we reveal that they exhibit potential flaws in the modeling and reasoning of periodicity, i.e., they tend to memorize the periodic data rather than genuinely understanding the underlying principles of periodicity. However, periodicity is a crucial trait in various forms of reasoning and generalization, underpinning predictability across natural and engineered systems through recurring patterns in observations. In this paper, we propose FAN, a novel network architecture based on Fourier Analysis, which empowers the ability to efficiently model and reason about periodic phenomena. By introducing Fourier Series, the periodicity is naturally integrated into the structure and computational processes of the neural network, thus achieving a more accurate expression and prediction of periodic patterns. As a promising substitute to multi-layer perceptron (MLP), FAN can seamlessly replace MLP in various models with fewer parameters and FLOPs. Through extensive experiments, we demonstrate the effectiveness of FAN in modeling and reasoning about periodic functions, and the superiority and generalizability of FAN across a range of real-world tasks, including symbolic formula representation, time series forecasting, and language modeling.

Transformer-based architectures are the model of choice for natural language understanding, but they come at a significant cost, as they have quadratic complexity in the input length, require a lot of training data, and can be difficult to tune. In the pursuit of lower costs, we investigate simple MLP-based architectures. We find that existing architectures such as MLPMixer, which achieves token mixing through a static MLP applied to each feature independently, are too detached from the inductive biases required for natural language understanding. In this paper, we propose a simple variant, HyperMixer, which forms the token mixing MLP dynamically using hypernetworks. Empirically, we demonstrate that our model performs better than alternative MLP-based models, and on par with Transformers. In contrast to Transformers, HyperMixer achieves these results at substantially lower costs in terms of processing time, training data, and hyperparameter tuning.

The multilayer perceptron (MLP), a fundamental paradigm in current artificial intelligence, is widely applied in fields such as computer vision and natural language processing. However, the recently proposed Kolmogorov-Arnold Network (KAN), based on nonlinear additive connections, has been proven to achieve performance comparable to MLPs with significantly fewer parameters. Despite this potential, the use of a single activation function space results in reduced performance of KAN and related works across different tasks. To address this issue, we propose an activation space Selectable KAN (S-KAN). S-KAN employs an adaptive strategy to choose the possible activation mode for data at each feedforward KAN node. Our approach outperforms baseline methods in seven representative function fitting tasks and significantly surpasses MLP methods with the same level of parameters. Furthermore, we extend the structure of S-KAN and propose an activation space selectable Convolutional KAN (S-ConvKAN), which achieves leading results on four general image classification datasets. Our method mitigates the performance variability of the original KAN across different tasks and demonstrates through extensive experiments that feedforward KANs with selectable activations can achieve or even exceed the performance of MLP-based methods. This work contributes to the understanding of the data-centric design of new AI paradigms and provides a foundational reference for innovations in KAN-based network architectures.

For the past ten years, CNN has reigned supreme in the world of computer vision, but recently, Transformer has been on the rise. However, the quadratic computational cost of self-attention has become a serious problem in practice applications. There has been much research on architectures without CNN and self-attention in this context. In particular, MLP-Mixer is a simple architecture designed using MLPs and hit an accuracy comparable to the Vision Transformer. However, the only inductive bias in this architecture is the embedding of tokens. This leaves open the possibility of incorporating a non-convolutional (or non-local) inductive bias into the architecture, so we used two simple ideas to incorporate inductive bias into the MLP-Mixer while taking advantage of its ability to capture global correlations. A way is to divide the token-mixing block vertically and horizontally. Another way is to make spatial correlations denser among some channels of token-mixing. With this approach, we were able to improve the accuracy of the MLP-Mixer while reducing its parameters and computational complexity. The small model that is RaftMLP-S is comparable to the state-of-the-art global MLP-based model in terms of parameters and efficiency per calculation. In addition, we tackled the problem of fixed input image resolution for global MLP-based models by utilizing bicubic interpolation. We demonstrated that these models could be applied as the backbone of architectures for downstream tasks such as object detection. However, it did not have significant performance and mentioned the need for MLP-specific architectures for downstream tasks for global MLP-based models. The source code in PyTorch version is available at https://github.com/okojoalg/raft-mlp.

This paper presents a comparison of six machine learning (ML) algorithms: GRU-SVM (Agarap, 2017), Linear Regression, Multilayer Perceptron (MLP), Nearest Neighbor (NN) search, Softmax Regression, and Support Vector Machine (SVM) on the Wisconsin Diagnostic Breast Cancer (WDBC) dataset (Wolberg, Street, & Mangasarian, 1992) by measuring their classification test accuracy and their sensitivity and specificity values. The said dataset consists of features which were computed from digitized images of FNA tests on a breast mass (Wolberg, Street, & Mangasarian, 1992). For the implementation of the ML algorithms, the dataset was partitioned in the following fashion: 70% for training phase, and 30% for the testing phase. The hyper-parameters used for all the classifiers were manually assigned. Results show that all the presented ML algorithms performed well (all exceeded 90% test accuracy) on the classification task. The MLP algorithm stands out among the implemented algorithms with a test accuracy of ~99.04%.

Click-through rate (CTR) prediction is one of the fundamental tasks for online advertising and recommendation. While multi-layer perceptron (MLP) serves as a core component in many deep CTR prediction models, it has been widely recognized that applying a vanilla MLP network alone is inefficient in learning multiplicative feature interactions. As such, many two-stream interaction models (e.g., DeepFM and DCN) have been proposed by integrating an MLP network with another dedicated network for enhanced CTR prediction. As the MLP stream learns feature interactions implicitly, existing research focuses mainly on enhancing explicit feature interactions in the complementary stream. In contrast, our empirical study shows that a well-tuned two-stream MLP model that simply combines two MLPs can even achieve surprisingly good performance, which has never been reported before by existing work. Based on this observation, we further propose feature gating and interaction aggregation layers that can be easily plugged to make an enhanced two-stream MLP model, FinalMLP. In this way, it not only enables differentiated feature inputs but also effectively fuses stream-level interactions across two streams. Our evaluation results on four open benchmark datasets as well as an online A/B test in our industrial system show that FinalMLP achieves better performance than many sophisticated two-stream CTR models. Our source code will be available at MindSpore/models.

In recent years, NLP practitioners have converged on the following practice: (i) import an off-the-shelf pretrained (masked) language model; (ii) append a multilayer perceptron atop the CLS token's hidden representation (with randomly initialized weights); and (iii) fine-tune the entire model on a downstream task (MLP-FT). This procedure has produced massive gains on standard NLP benchmarks, but these models remain brittle, even to mild adversarial perturbations. In this work, we demonstrate surprising gains in adversarial robustness enjoyed by Model-tuning Via Prompts (MVP), an alternative method of adapting to downstream tasks. Rather than appending an MLP head to make output prediction, MVP appends a prompt template to the input, and makes prediction via text infilling/completion. Across 5 NLP datasets, 4 adversarial attacks, and 3 different models, MVP improves performance against adversarial substitutions by an average of 8% over standard methods and even outperforms adversarial training-based state-of-art defenses by 3.5%. By combining MVP with adversarial training, we achieve further improvements in adversarial robustness while maintaining performance on unperturbed examples. Finally, we conduct ablations to investigate the mechanism underlying these gains. Notably, we find that the main causes of vulnerability of MLP-FT can be attributed to the misalignment between pre-training and fine-tuning tasks, and the randomly initialized MLP parameters.

Multi-layer perceptron (MLP) is a fundamental component of deep learning that has been extensively employed for various problems. However, recent empirical successes in MLP-based architectures, particularly the progress of the MLP-Mixer, have revealed that there is still hidden potential in improving MLPs to achieve better performance. In this study, we reveal that the MLP-Mixer works effectively as a wide MLP with certain sparse weights. Initially, we clarify that the mixing layer of the Mixer has an effective expression as a wider MLP whose weights are sparse and represented by the Kronecker product. This expression naturally defines a permuted-Kronecker (PK) family, which can be regarded as a general class of mixing layers and is also regarded as an approximation of Monarch matrices. Subsequently, because the PK family effectively constitutes a wide MLP with sparse weights, one can apply the hypothesis proposed by Golubeva, Neyshabur and Gur-Ari (2021) that the prediction performance improves as the width (sparsity) increases when the number of weights is fixed. We empirically verify this hypothesis by maximizing the effective width of the MLP-Mixer, which enables us to determine the appropriate size of the mixing layers quantitatively.

Token interaction operation is one of the core modules in MLP-based models to exchange and aggregate information between different spatial locations. However, the power of token interaction on the spatial dimension is highly dependent on the spatial resolution of the feature maps, which limits the model's expressive ability, especially in deep layers where the feature are down-sampled to a small spatial size. To address this issue, we present a novel method called Strip-MLP to enrich the token interaction power in three ways. Firstly, we introduce a new MLP paradigm called Strip MLP layer that allows the token to interact with other tokens in a cross-strip manner, enabling the tokens in a row (or column) to contribute to the information aggregations in adjacent but different strips of rows (or columns). Secondly, a Cascade Group Strip Mixing Module (CGSMM) is proposed to overcome the performance degradation caused by small spatial feature size. The module allows tokens to interact more effectively in the manners of within-patch and cross-patch, which is independent to the feature spatial size. Finally, based on the Strip MLP layer, we propose a novel Local Strip Mixing Module (LSMM) to boost the token interaction power in the local region. Extensive experiments demonstrate that Strip-MLP significantly improves the performance of MLP-based models on small datasets and obtains comparable or even better results on ImageNet. In particular, Strip-MLP models achieve higher average Top-1 accuracy than existing MLP-based models by +2.44\% on Caltech-101 and +2.16\% on CIFAR-100. The source codes will be available at~https://github.com/Med-Process/Strip_MLP{https://github.com/Med-Process/Strip\_MLP.

Predictive coding networks are neuroscience-inspired models with roots in both Bayesian statistics and neuroscience. Training such models, however, is quite inefficient and unstable. In this work, we show how by simply changing the temporal scheduling of the update rule for the synaptic weights leads to an algorithm that is much more efficient and stable than the original one, and has theoretical guarantees in terms of convergence. The proposed algorithm, that we call incremental predictive coding (iPC) is also more biologically plausible than the original one, as it it fully automatic. In an extensive set of experiments, we show that iPC constantly performs better than the original formulation on a large number of benchmarks for image classification, as well as for the training of both conditional and masked language models, in terms of test accuracy, efficiency, and convergence with respect to a large set of hyperparameters.

In this paper, we delve into several mechanisms employed by Transformer-based language models (LLMs) for factual recall tasks. We outline a pipeline consisting of three major steps: (1) Given a prompt ``The capital of France is,'' task-specific attention heads extract the topic token, such as ``France,'' from the context and pass it to subsequent MLPs. (2) As attention heads' outputs are aggregated with equal weight and added to the residual stream, the subsequent MLP acts as an ``activation,'' which either erases or amplifies the information originating from individual heads. As a result, the topic token ``France'' stands out in the residual stream. (3) A deep MLP takes ``France'' and generates a component that redirects the residual stream towards the direction of the correct answer, i.e., ``Paris.'' This procedure is akin to applying an implicit function such as ``get\_capital(X),'' and the argument X is the topic token information passed by attention heads. To achieve the above quantitative and qualitative analysis for MLPs, we proposed a novel analytic method aimed at decomposing the outputs of the MLP into components understandable by humans. Additionally, we observed a universal anti-overconfidence mechanism in the final layer of models, which suppresses correct predictions. We mitigate this suppression by leveraging our interpretation to improve factual recall confidence. The above interpretations are evaluated across diverse tasks spanning various domains of factual knowledge, using various language models from the GPT-2 families, 1.3B OPT, up to 7B Llama-2, and in both zero- and few-shot setups.

Mixture-of-Experts (MoE), a conditional computation architecture, achieved promising performance by scaling local module (i.e. feed-forward network) of transformer. However, scaling the cross-token module (i.e. self-attention) is challenging due to the unstable training. This work proposes Sparse-MLP, an all-MLP model which applies sparsely-activated MLPs to cross-token modeling. Specifically, in each Sparse block of our all-MLP model, we apply two stages of MoE layers: one with MLP experts mixing information within channels along image patch dimension, the other with MLP experts mixing information within patches along the channel dimension. In addition, by proposing importance-score routing strategy for MoE and redesigning the image representation shape, we further improve our model's computational efficiency. Experimentally, we are more computation-efficient than Vision Transformers with comparable accuracy. Also, our models can outperform MLP-Mixer by 2.5\% on ImageNet Top-1 accuracy with fewer parameters and computational cost. On downstream tasks, i.e. Cifar10 and Cifar100, our models can still achieve better performance than baselines.

In-context learning (ICL), the remarkable ability to solve a task from only input exemplars, is often assumed to be a unique hallmark of Transformer models. By examining commonly employed synthetic ICL tasks, we demonstrate that multi-layer perceptrons (MLPs) can also learn in-context. Moreover, MLPs, and the closely related MLP-Mixer models, learn in-context competitively with Transformers given the same compute budget in this setting. We further show that MLPs outperform Transformers on a series of classical tasks from psychology designed to test relational reasoning, which are closely related to in-context classification. These results underscore a need for studying in-context learning beyond attention-based architectures, while also challenging strong prior arguments about MLPs' limited ability to solve relational tasks. Altogether, our results highlight the unexpected competence of MLPs, and support the growing interest in all-MLP alternatives to task-specific architectures.

Inspired by the Kolmogorov-Arnold representation theorem, we propose Kolmogorov-Arnold Networks (KANs) as promising alternatives to Multi-Layer Perceptrons (MLPs). While MLPs have fixed activation functions on nodes ("neurons"), KANs have learnable activation functions on edges ("weights"). KANs have no linear weights at all -- every weight parameter is replaced by a univariate function parametrized as a spline. We show that this seemingly simple change makes KANs outperform MLPs in terms of accuracy and interpretability. For accuracy, much smaller KANs can achieve comparable or better accuracy than much larger MLPs in data fitting and PDE solving. Theoretically and empirically, KANs possess faster neural scaling laws than MLPs. For interpretability, KANs can be intuitively visualized and can easily interact with human users. Through two examples in mathematics and physics, KANs are shown to be useful collaborators helping scientists (re)discover mathematical and physical laws. In summary, KANs are promising alternatives for MLPs, opening opportunities for further improving today's deep learning models which rely heavily on MLPs.

Recently, deep neural networks such as RNN, CNN and Transformer have been applied in the task of sequential recommendation, which aims to capture the dynamic preference characteristics from logged user behavior data for accurate recommendation. However, in online platforms, logged user behavior data is inevitable to contain noise, and deep recommendation models are easy to overfit on these logged data. To tackle this problem, we borrow the idea of filtering algorithms from signal processing that attenuates the noise in the frequency domain. In our empirical experiments, we find that filtering algorithms can substantially improve representative sequential recommendation models, and integrating simple filtering algorithms (eg Band-Stop Filter) with an all-MLP architecture can even outperform competitive Transformer-based models. Motivated by it, we propose FMLP-Rec, an all-MLP model with learnable filters for sequential recommendation task. The all-MLP architecture endows our model with lower time complexity, and the learnable filters can adaptively attenuate the noise information in the frequency domain. Extensive experiments conducted on eight real-world datasets demonstrate the superiority of our proposed method over competitive RNN, CNN, GNN and Transformer-based methods. Our code and data are publicly available at the link: blue{https://github.com/RUCAIBox/FMLP-Rec}.

Previous works on Treatment Effect Estimation (TEE) are not in widespread use because they are predominantly theoretical, where strong parametric assumptions are made but untractable for practical application. Recent work uses multilayer perceptron (MLP) for modeling casual relationships, however, MLPs lag far behind recent advances in ML methodology, which limits their applicability and generalizability. To extend beyond the single domain formulation and towards more realistic learning scenarios, we explore model design spaces beyond MLPs, i.e., transformer backbones, which provide flexibility where attention layers govern interactions among treatments and covariates to exploit structural similarities of potential outcomes for confounding control. Through careful model design, Transformers as Treatment Effect Estimators (TransTEE) is proposed. We show empirically that TransTEE can: (1) serve as a general purpose treatment effect estimator that significantly outperforms competitive baselines in a variety of challenging TEE problems (e.g., discrete, continuous, structured, or dosage-associated treatments) and is applicable to both when covariates are tabular and when they consist of structural data (e.g., texts, graphs); (2) yield multiple advantages: compatibility with propensity score modeling, parameter efficiency, robustness to continuous treatment value distribution shifts, explainable in covariate adjustment, and real-world utility in auditing pre-trained language models

Printed Electronics (PE) feature distinct and remarkable characteristics that make them a prominent technology for achieving true ubiquitous computing. This is particularly relevant in application domains that require conformal and ultra-low cost solutions, which have experienced limited penetration of computing until now. Unlike silicon-based technologies, PE offer unparalleled features such as non-recurring engineering costs, ultra-low manufacturing cost, and on-demand fabrication of conformal, flexible, non-toxic, and stretchable hardware. However, PE face certain limitations due to their large feature sizes, that impede the realization of complex circuits, such as machine learning classifiers. In this work, we address these limitations by leveraging the principles of Approximate Computing and Bespoke (fully-customized) design. We propose an automated framework for designing ultra-low power Multilayer Perceptron (MLP) classifiers which employs, for the first time, a holistic approach to approximate all functions of the MLP's neurons: multiplication, accumulation, and activation. Through comprehensive evaluation across various MLPs of varying size, our framework demonstrates the ability to enable battery-powered operation of even the most intricate MLP architecture examined, significantly surpassing the current state of the art.

Large language models display remarkable capabilities in logical and mathematical reasoning, allowing them to solve complex tasks. Interestingly, these abilities emerge in networks trained on the simple task of next-token prediction. In this work, we present a theoretical framework for studying auto-regressive next-token predictors. We demonstrate that even simple models such as linear next-token predictors, trained on Chain-of-Thought (CoT) data, can approximate any function efficiently computed by a Turing machine. We introduce a new complexity measure -- length complexity -- which measures the number of intermediate tokens in a CoT sequence required to approximate some target function, and analyze the interplay between length complexity and other notions of complexity. Finally, we show experimentally that simple next-token predictors, such as linear networks and shallow Multi-Layer Perceptrons (MLPs), display non-trivial performance on text generation and arithmetic tasks. Our results demonstrate that the power of language models can be attributed, to a great extent, to the auto-regressive next-token training scheme, and not necessarily to a particular choice of architecture.

All-MLP architectures have attracted increasing interest as an alternative to attention-based models. In NLP, recent work like gMLP shows that all-MLPs can match Transformers in language modeling, but still lag behind in downstream tasks. In this work, we analyze the limitations of MLPs in expressiveness, and propose sparsely activated MLPs with mixture-of-experts (MoEs) in both feature and input (token) dimensions. Such sparse all-MLPs significantly increase model capacity and expressiveness while keeping the compute constant. We address critical challenges in incorporating conditional computation with two routing strategies. The proposed sparse all-MLP improves language modeling perplexity and obtains up to 2times improvement in training efficiency compared to both Transformer-based MoEs (GShard, Switch Transformer, Base Layers and HASH Layers) as well as dense Transformers and all-MLPs. Finally, we evaluate its zero-shot in-context learning performance on six downstream tasks, and find that it surpasses Transformer-based MoEs and dense Transformers.

In this note (work in progress towards a full-length paper) we show that a family of sequence models based on recurrent linear layers~(including S4, S5, and the LRU) interleaved with position-wise multi-layer perceptrons~(MLPs) can approximate arbitrarily well any sufficiently regular non-linear sequence-to-sequence map. The main idea behind our result is to see recurrent layers as compression algorithms that can faithfully store information about the input sequence into an inner state, before it is processed by the highly expressive MLP.

In class incremental learning, neural networks typically suffer from catastrophic forgetting. We show that an MLP featuring a sparse activation function and an adaptive learning rate optimizer can compete with established regularization techniques in the Split-MNIST task. We highlight the effectiveness of the Adaptive SwisH (ASH) activation function in this context and introduce a novel variant, Hard Adaptive SwisH (Hard ASH) to further enhance the learning retention.

In recent years, significant efforts have been directed toward adapting modern neural network architectures for tabular data. However, despite their larger number of parameters and longer training and inference times, these models often fail to consistently outperform vanilla multilayer perceptron (MLP) neural networks. Moreover, MLP-based ensembles have recently demonstrated superior performance and efficiency compared to advanced deep learning methods. Therefore, rather than focusing on building deeper and more complex deep learning models, we propose investigating whether MLP neural networks can be replaced with more efficient architectures without sacrificing performance. In this paper, we first introduce GG MoE, a mixture-of-experts (MoE) model with a Gumbel-Softmax gating function. We then demonstrate that GG MoE with an embedding layer achieves the highest performance across 38 datasets compared to standard MoE and MLP models. Finally, we show that both MoE and GG MoE utilize significantly fewer parameters than MLPs, making them a promising alternative for scaling and ensemble methods.

Neural sequence models, especially transformers, exhibit a remarkable capacity for in-context learning. They can construct new predictors from sequences of labeled examples (x, f(x)) presented in the input without further parameter updates. We investigate the hypothesis that transformer-based in-context learners implement standard learning algorithms implicitly, by encoding smaller models in their activations, and updating these implicit models as new examples appear in the context. Using linear regression as a prototypical problem, we offer three sources of evidence for this hypothesis. First, we prove by construction that transformers can implement learning algorithms for linear models based on gradient descent and closed-form ridge regression. Second, we show that trained in-context learners closely match the predictors computed by gradient descent, ridge regression, and exact least-squares regression, transitioning between different predictors as transformer depth and dataset noise vary, and converging to Bayesian estimators for large widths and depths. Third, we present preliminary evidence that in-context learners share algorithmic features with these predictors: learners' late layers non-linearly encode weight vectors and moment matrices. These results suggest that in-context learning is understandable in algorithmic terms, and that (at least in the linear case) learners may rediscover standard estimation algorithms. Code and reference implementations are released at https://github.com/ekinakyurek/google-research/blob/master/incontext.

A mechanistic understanding of how MLPs do computation in deep neural networks remains elusive. Current interpretability work can extract features from hidden activations over an input dataset but generally cannot explain how MLP weights construct features. One challenge is that element-wise nonlinearities introduce higher-order interactions and make it difficult to trace computations through the MLP layer. In this paper, we analyze bilinear MLPs, a type of Gated Linear Unit (GLU) without any element-wise nonlinearity that nevertheless achieves competitive performance. Bilinear MLPs can be fully expressed in terms of linear operations using a third-order tensor, allowing flexible analysis of the weights. Analyzing the spectra of bilinear MLP weights using eigendecomposition reveals interpretable low-rank structure across toy tasks, image classification, and language modeling. We use this understanding to craft adversarial examples, uncover overfitting, and identify small language model circuits directly from the weights alone. Our results demonstrate that bilinear layers serve as an interpretable drop-in replacement for current activation functions and that weight-based interpretability is viable for understanding deep-learning models.

This paper surveys and organizes research works in a new paradigm in natural language processing, which we dub "prompt-based learning". Unlike traditional supervised learning, which trains a model to take in an input x and predict an output y as P(y|x), prompt-based learning is based on language models that model the probability of text directly. To use these models to perform prediction tasks, the original input x is modified using a template into a textual string prompt x' that has some unfilled slots, and then the language model is used to probabilistically fill the unfilled information to obtain a final string x, from which the final output y can be derived. This framework is powerful and attractive for a number of reasons: it allows the language model to be pre-trained on massive amounts of raw text, and by defining a new prompting function the model is able to perform few-shot or even zero-shot learning, adapting to new scenarios with few or no labeled data. In this paper we introduce the basics of this promising paradigm, describe a unified set of mathematical notations that can cover a wide variety of existing work, and organize existing work along several dimensions, e.g.the choice of pre-trained models, prompts, and tuning strategies. To make the field more accessible to interested beginners, we not only make a systematic review of existing works and a highly structured typology of prompt-based concepts, but also release other resources, e.g., a website http://pretrain.nlpedia.ai/ including constantly-updated survey, and paperlist.

Our understanding of the generalization capabilities of neural networks (NNs) is still incomplete. Prevailing explanations are based on implicit biases of gradient descent (GD) but they cannot account for the capabilities of models from gradient-free methods nor the simplicity bias recently observed in untrained networks. This paper seeks other sources of generalization in NNs. Findings. To understand the inductive biases provided by architectures independently from GD, we examine untrained, random-weight networks. Even simple MLPs show strong inductive biases: uniform sampling in weight space yields a very biased distribution of functions in terms of complexity. But unlike common wisdom, NNs do not have an inherent "simplicity bias". This property depends on components such as ReLUs, residual connections, and layer normalizations. Alternative architectures can be built with a bias for any level of complexity. Transformers also inherit all these properties from their building blocks. Implications. We provide a fresh explanation for the success of deep learning independent from gradient-based training. It points at promising avenues for controlling the solutions implemented by trained models.

This study examines the integration of Contrastive Predictive Coding (CPC) with Spiking Neural Networks (SNN). While CPC learns the predictive structure of data to generate meaningful representations, SNN mimics the computational processes of biological neural systems over time. In this study, the goal is to develop a predictive coding model with greater biological plausibility by processing inputs and outputs in a spike-based system. The proposed model was tested on the MNIST dataset and achieved a high classification rate in distinguishing positive sequential samples from non-sequential negative samples. The study demonstrates that CPC can be effectively combined with SNN, showing that an SNN trained for classification tasks can also function as an encoding mechanism. Project codes and detailed results can be accessed on our GitHub page: https://github.com/vnd-ogrenme/ongorusel-kodlama/tree/main/CPC_SNN

Speculative decoding (SPD) aims to accelerate the auto-regressive token generation process of a target Large Language Model (LLM). Some approaches employ a draft model with multiple heads to predict a sequence of future tokens, where each head handles a token in the sequence. The target LLM verifies the predicted sequence and accepts aligned tokens, enabling efficient multi-token generation. However, existing methods assume that all tokens within a sequence are equally important, employing identical head structures and relying on a single-generation paradigm, either serial or parallel. To this end, we theoretically demonstrate that initial tokens in the draft sequence are more important than later ones. Building on this insight, we propose Gumiho, a hybrid model combining serial and parallel heads. Specifically, given the critical importance of early tokens, we employ a sophisticated Transformer architecture for the early draft heads in a serial configuration to improve accuracy. For later tokens, we utilize multiple lightweight MLP heads operating in parallel to enhance efficiency. By allocating more advanced model structures and longer running times to the early heads, Gumiho achieves improved overall performance. The experimental results demonstrate that our method outperforms existing approaches, fully validating its effectiveness.

The published MLP-based DRL in finance has difficulties in learning the dynamics of the environment when the action scale increases. If the buying and selling increase to one thousand shares, the MLP agent will not be able to effectively adapt to the environment. To address this, we designed a CNN agent that concatenates the data from the last ninety days of the daily feature vector to create the CNN input matrix. Our extensive experiments demonstrate that the MLP-based agent experiences a loss corresponding to the initial environment setup, while our designed CNN remains stable, effectively learns the environment, and leads to an increase in rewards.

Transformers have gained popularity in time series forecasting for their ability to capture long-sequence interactions. However, their high memory and computing requirements pose a critical bottleneck for long-term forecasting. To address this, we propose TSMixer, a lightweight neural architecture exclusively composed of multi-layer perceptron (MLP) modules for multivariate forecasting and representation learning on patched time series. Inspired by MLP-Mixer's success in computer vision, we adapt it for time series, addressing challenges and introducing validated components for enhanced accuracy. This includes a novel design paradigm of attaching online reconciliation heads to the MLP-Mixer backbone, for explicitly modeling the time-series properties such as hierarchy and channel-correlations. We also propose a novel Hybrid channel modeling and infusion of a simple gating approach to effectively handle noisy channel interactions and generalization across diverse datasets. By incorporating these lightweight components, we significantly enhance the learning capability of simple MLP structures, outperforming complex Transformer models with minimal computing usage. Moreover, TSMixer's modular design enables compatibility with both supervised and masked self-supervised learning methods, making it a promising building block for time-series Foundation Models. TSMixer outperforms state-of-the-art MLP and Transformer models in forecasting by a considerable margin of 8-60%. It also outperforms the latest strong benchmarks of Patch-Transformer models (by 1-2%) with a significant reduction in memory and runtime (2-3X). The source code of our model is officially released as PatchTSMixer in the HuggingFace. Model: https://huggingface.co/docs/transformers/main/en/model_doc/patchtsmixer Examples: https://github.com/ibm/tsfm/#notebooks-links

We investigate the learning of implicit neural representation (INR) using an overparameterized multilayer perceptron (MLP) via a novel nonparametric teaching perspective. The latter offers an efficient example selection framework for teaching nonparametrically defined (viz. non-closed-form) target functions, such as image functions defined by 2D grids of pixels. To address the costly training of INRs, we propose a paradigm called Implicit Neural Teaching (INT) that treats INR learning as a nonparametric teaching problem, where the given signal being fitted serves as the target function. The teacher then selects signal fragments for iterative training of the MLP to achieve fast convergence. By establishing a connection between MLP evolution through parameter-based gradient descent and that of function evolution through functional gradient descent in nonparametric teaching, we show for the first time that teaching an overparameterized MLP is consistent with teaching a nonparametric learner. This new discovery readily permits a convenient drop-in of nonparametric teaching algorithms to broadly enhance INR training efficiency, demonstrating 30%+ training time savings across various input modalities.

Class-incremental learning (CIL) is a particularly challenging variant of continual learning, where the goal is to learn to discriminate between all classes presented in an incremental fashion. Existing approaches often suffer from excessive forgetting and imbalance of the scores assigned to classes that have not been seen together during training. In this study, we introduce a novel approach, Prediction Error-based Classification (PEC), which differs from traditional discriminative and generative classification paradigms. PEC computes a class score by measuring the prediction error of a model trained to replicate the outputs of a frozen random neural network on data from that class. The method can be interpreted as approximating a classification rule based on Gaussian Process posterior variance. PEC offers several practical advantages, including sample efficiency, ease of tuning, and effectiveness even when data are presented one class at a time. Our empirical results show that PEC performs strongly in single-pass-through-data CIL, outperforming other rehearsal-free baselines in all cases and rehearsal-based methods with moderate replay buffer size in most cases across multiple benchmarks.

Designing machine learning architectures for processing neural networks in their raw weight matrix form is a newly introduced research direction. Unfortunately, the unique symmetry structure of deep weight spaces makes this design very challenging. If successful, such architectures would be capable of performing a wide range of intriguing tasks, from adapting a pre-trained network to a new domain to editing objects represented as functions (INRs or NeRFs). As a first step towards this goal, we present here a novel network architecture for learning in deep weight spaces. It takes as input a concatenation of weights and biases of a pre-trained MLP and processes it using a composition of layers that are equivariant to the natural permutation symmetry of the MLP's weights: Changing the order of neurons in intermediate layers of the MLP does not affect the function it represents. We provide a full characterization of all affine equivariant and invariant layers for these symmetries and show how these layers can be implemented using three basic operations: pooling, broadcasting, and fully connected layers applied to the input in an appropriate manner. We demonstrate the effectiveness of our architecture and its advantages over natural baselines in a variety of learning tasks.

Language Generation Models produce words based on the previous context. Although existing methods offer input attributions as explanations for a model's prediction, it is still unclear how prior words affect the model's decision throughout the layers. In this work, we leverage recent advances in explainability of the Transformer and present a procedure to analyze models for language generation. Using contrastive examples, we compare the alignment of our explanations with evidence of the linguistic phenomena, and show that our method consistently aligns better than gradient-based and perturbation-based baselines. Then, we investigate the role of MLPs inside the Transformer and show that they learn features that help the model predict words that are grammatically acceptable. Lastly, we apply our method to Neural Machine Translation models, and demonstrate that they generate human-like source-target alignments for building predictions.

Click-through rate prediction is an essential task in industrial applications, such as online advertising. Recently deep learning based models have been proposed, which follow a similar Embedding\&MLP paradigm. In these methods large scale sparse input features are first mapped into low dimensional embedding vectors, and then transformed into fixed-length vectors in a group-wise manner, finally concatenated together to fed into a multilayer perceptron (MLP) to learn the nonlinear relations among features. In this way, user features are compressed into a fixed-length representation vector, in regardless of what candidate ads are. The use of fixed-length vector will be a bottleneck, which brings difficulty for Embedding\&MLP methods to capture user's diverse interests effectively from rich historical behaviors. In this paper, we propose a novel model: Deep Interest Network (DIN) which tackles this challenge by designing a local activation unit to adaptively learn the representation of user interests from historical behaviors with respect to a certain ad. This representation vector varies over different ads, improving the expressive ability of model greatly. Besides, we develop two techniques: mini-batch aware regularization and data adaptive activation function which can help training industrial deep networks with hundreds of millions of parameters. Experiments on two public datasets as well as an Alibaba real production dataset with over 2 billion samples demonstrate the effectiveness of proposed approaches, which achieve superior performance compared with state-of-the-art methods. DIN now has been successfully deployed in the online display advertising system in Alibaba, serving the main traffic.

Despite its widespread use in neural networks, error backpropagation has faced criticism for its lack of biological plausibility, suffering from issues such as the backward locking problem and the weight transport problem. These limitations have motivated researchers to explore more biologically plausible learning algorithms that could potentially shed light on how biological neural systems adapt and learn. Inspired by the counter-current exchange mechanisms observed in biological systems, we propose counter-current learning (CCL), a biologically plausible framework for credit assignment in neural networks. This framework employs a feedforward network to process input data and a feedback network to process targets, with each network enhancing the other through anti-parallel signal propagation. By leveraging the more informative signals from the bottom layer of the feedback network to guide the updates of the top layer of the feedforward network and vice versa, CCL enables the simultaneous transformation of source inputs to target outputs and the dynamic mutual influence of these transformations. Experimental results on MNIST, FashionMNIST, CIFAR10, and CIFAR100 datasets using multi-layer perceptrons and convolutional neural networks demonstrate that CCL achieves comparable performance to other biologically plausible algorithms while offering a more biologically realistic learning mechanism. Furthermore, we showcase the applicability of our approach to an autoencoder task, underscoring its potential for unsupervised representation learning. Our work presents a direction for biologically inspired and plausible learning algorithms, offering an alternative mechanism of learning and adaptation in neural networks.

It is well noted that coordinate based MLPs benefit -- in terms of preserving high-frequency information -- through the encoding of coordinate positions as an array of Fourier features. Hitherto, the rationale for the effectiveness of these positional encodings has been solely studied through a Fourier lens. In this paper, we strive to broaden this understanding by showing that alternative non-Fourier embedding functions can indeed be used for positional encoding. Moreover, we show that their performance is entirely determined by a trade-off between the stable rank of the embedded matrix and the distance preservation between embedded coordinates. We further establish that the now ubiquitous Fourier feature mapping of position is a special case that fulfills these conditions. Consequently, we present a more general theory to analyze positional encoding in terms of shifted basis functions. To this end, we develop the necessary theoretical formulae and empirically verify that our theoretical claims hold in practice. Codes available at https://github.com/osiriszjq/Rethinking-positional-encoding.

Post-hoc gradient-based interpretability methods [Simonyan et al., 2013, Smilkov et al., 2017] that provide instance-specific explanations of model predictions are often based on assumption (A): magnitude of input gradients -- gradients of logits with respect to input -- noisily highlight discriminative task-relevant features. In this work, we test the validity of assumption (A) using a three-pronged approach. First, we develop an evaluation framework, DiffROAR, to test assumption (A) on four image classification benchmarks. Our results suggest that (i) input gradients of standard models (i.e., trained on original data) may grossly violate (A), whereas (ii) input gradients of adversarially robust models satisfy (A). Second, we introduce BlockMNIST, an MNIST-based semi-real dataset, that by design encodes a priori knowledge of discriminative features. Our analysis on BlockMNIST leverages this information to validate as well as characterize differences between input gradient attributions of standard and robust models. Finally, we theoretically prove that our empirical findings hold on a simplified version of the BlockMNIST dataset. Specifically, we prove that input gradients of standard one-hidden-layer MLPs trained on this dataset do not highlight instance-specific signal coordinates, thus grossly violating assumption (A). Our findings motivate the need to formalize and test common assumptions in interpretability in a falsifiable manner [Leavitt and Morcos, 2020]. We believe that the DiffROAR evaluation framework and BlockMNIST-based datasets can serve as sanity checks to audit instance-specific interpretability methods; code and data available at https://github.com/harshays/inputgradients.

This paper introduces the Point Cloud Network (PCN) architecture, a novel implementation of linear layers in deep learning networks, and provides empirical evidence to advocate for its preference over the Multilayer Perceptron (MLP) in linear layers. We train several models, including the original AlexNet, using both MLP and PCN architectures for direct comparison of linear layers (Krizhevsky et al., 2012). The key results collected are model parameter count and top-1 test accuracy over the CIFAR-10 and CIFAR-100 datasets (Krizhevsky, 2009). AlexNet-PCN16, our PCN equivalent to AlexNet, achieves comparable efficacy (test accuracy) to the original architecture with a 99.5% reduction of parameters in its linear layers. All training is done on cloud RTX 4090 GPUs, leveraging pytorch for model construction and training. Code is provided for anyone to reproduce the trials from this paper.

State-of-the-art systems neuroscience experiments yield large-scale multimodal data, and these data sets require new tools for analysis. Inspired by the success of large pretrained models in vision and language domains, we reframe the analysis of large-scale, cellular-resolution neuronal spiking data into an autoregressive spatiotemporal generation problem. Neuroformer is a multimodal, multitask generative pretrained transformer (GPT) model that is specifically designed to handle the intricacies of data in systems neuroscience. It scales linearly with feature size, can process an arbitrary number of modalities, and is adaptable to downstream tasks, such as predicting behavior. We first trained Neuroformer on simulated datasets, and found that it both accurately predicted simulated neuronal circuit activity, and also intrinsically inferred the underlying neural circuit connectivity, including direction. When pretrained to decode neural responses, the model predicted the behavior of a mouse with only few-shot fine-tuning, suggesting that the model begins learning how to do so directly from the neural representations themselves, without any explicit supervision. We used an ablation study to show that joint training on neuronal responses and behavior boosted performance, highlighting the model's ability to associate behavioral and neural representations in an unsupervised manner. These findings show that Neuroformer can analyze neural datasets and their emergent properties, informing the development of models and hypotheses associated with the brain.

Intelligent Tutoring Systems (ITS) enhance personalized learning by predicting student answers to provide immediate and customized instruction. However, recent research has primarily focused on the correctness of the answer rather than the student's performance on specific answer choices, limiting insights into students' thought processes and potential misconceptions. To address this gap, we present MCQStudentBert, an answer forecasting model that leverages the capabilities of Large Language Models (LLMs) to integrate contextual understanding of students' answering history along with the text of the questions and answers. By predicting the specific answer choices students are likely to make, practitioners can easily extend the model to new answer choices or remove answer choices for the same multiple-choice question (MCQ) without retraining the model. In particular, we compare MLP, LSTM, BERT, and Mistral 7B architectures to generate embeddings from students' past interactions, which are then incorporated into a finetuned BERT's answer-forecasting mechanism. We apply our pipeline to a dataset of language learning MCQ, gathered from an ITS with over 10,000 students to explore the predictive accuracy of MCQStudentBert, which incorporates student interaction patterns, in comparison to correct answer prediction and traditional mastery-learning feature-based approaches. This work opens the door to more personalized content, modularization, and granular support.

We introduce a new neural architecture to learn the conditional probability of an output sequence with elements that are discrete tokens corresponding to positions in an input sequence. Such problems cannot be trivially addressed by existent approaches such as sequence-to-sequence and Neural Turing Machines, because the number of target classes in each step of the output depends on the length of the input, which is variable. Problems such as sorting variable sized sequences, and various combinatorial optimization problems belong to this class. Our model solves the problem of variable size output dictionaries using a recently proposed mechanism of neural attention. It differs from the previous attention attempts in that, instead of using attention to blend hidden units of an encoder to a context vector at each decoder step, it uses attention as a pointer to select a member of the input sequence as the output. We call this architecture a Pointer Net (Ptr-Net). We show Ptr-Nets can be used to learn approximate solutions to three challenging geometric problems -- finding planar convex hulls, computing Delaunay triangulations, and the planar Travelling Salesman Problem -- using training examples alone. Ptr-Nets not only improve over sequence-to-sequence with input attention, but also allow us to generalize to variable size output dictionaries. We show that the learnt models generalize beyond the maximum lengths they were trained on. We hope our results on these tasks will encourage a broader exploration of neural learning for discrete problems.

Fine-tuning a pre-trained language model (PLM) emerges as the predominant strategy in many natural language processing applications. However, even fine-tuning the PLMs and doing inference are expensive, especially on edge devices with low computing power. Some general approaches (e.g. quantization and distillation) have been widely studied to reduce the compute/memory of PLM fine-tuning, while very few one-shot compression techniques are explored. In this paper, we investigate the neural tangent kernel (NTK)--which reveals the gradient descent dynamics of neural networks--of the multilayer perceptrons (MLP) modules in a PLM and propose to coin a lightweight PLM through NTK-approximating MLP fusion. To achieve this, we reconsider the MLP as a bundle of sub-MLPs, and cluster them into a given number of centroids, which can then be restored as a compressed MLP and surprisingly shown to well approximate the NTK of the original PLM. Extensive experiments of PLM fine-tuning on both natural language understanding (NLU) and generation (NLG) tasks are provided to verify the effectiveness of the proposed method MLP fusion. Our code is available at https://github.com/weitianxin/MLP_Fusion.

Interpretability researchers have attempted to understand MLP neurons of language models based on both the contexts in which they activate and their output weight vectors. They have paid little attention to a complementary aspect: the interactions between input and output. For example, when neurons detect a direction in the input, they might add much the same direction to the residual stream ("enrichment neurons") or reduce its presence ("depletion neurons"). We address this aspect by examining the cosine similarity between input and output weights of a neuron. We apply our method to 12 models and find that enrichment neurons dominate in early-middle layers whereas later layers tend more towards depletion. To explain this finding, we argue that enrichment neurons are largely responsible for enriching concept representations, one of the first steps of factual recall. Our input-output perspective is a complement to activation-dependent analyses and to approaches that treat input and output separately.

The traditional personality models only yield binary results. This paper presents a novel approach for training personality detection models that produce continuous output values, using mixed strategies. By leveraging the PANDORA dataset, which includes extensive personality labeling of Reddit comments, we developed models that predict the Big Five personality traits with high accuracy. Our approach involves fine-tuning a RoBERTa-base model with various strategies such as Multi-Layer Perceptron (MLP) integration, and hyperparameter tuning. The results demonstrate that our models significantly outperform traditional binary classification methods, offering precise continuous outputs for personality traits, thus enhancing applications in AI, psychology, human resources, marketing and health care fields.

A key goal in mechanistic interpretability is circuit analysis: finding sparse subgraphs of models corresponding to specific behaviors or capabilities. However, MLP sublayers make fine-grained circuit analysis on transformer-based language models difficult. In particular, interpretable features -- such as those found by sparse autoencoders (SAEs) -- are typically linear combinations of extremely many neurons, each with its own nonlinearity to account for. Circuit analysis in this setting thus either yields intractably large circuits or fails to disentangle local and global behavior. To address this we explore transcoders, which seek to faithfully approximate a densely activating MLP layer with a wider, sparsely-activating MLP layer. We successfully train transcoders on language models with 120M, 410M, and 1.4B parameters, and find them to perform at least on par with SAEs in terms of sparsity, faithfulness, and human-interpretability. We then introduce a novel method for using transcoders to perform weights-based circuit analysis through MLP sublayers. The resulting circuits neatly factorize into input-dependent and input-invariant terms. Finally, we apply transcoders to reverse-engineer unknown circuits in the model, and we obtain novel insights regarding the greater-than circuit in GPT2-small. Our results suggest that transcoders can prove effective in decomposing model computations involving MLPs into interpretable circuits. Code is available at https://github.com/jacobdunefsky/transcoder_circuits.

Transformer layers, which use an alternating pattern of multi-head attention and multi-layer perceptron (MLP) layers, provide an effective tool for a variety of machine learning problems. As the transformer layers use residual connections to avoid the problem of vanishing gradients, they can be viewed as the numerical integration of a differential equation. In this extended abstract, we build upon this connection and propose a modification of the internal architecture of a transformer layer. The proposed model places the multi-head attention sublayer and the MLP sublayer parallel to each other. Our experiments show that this simple modification improves the performance of transformer networks in multiple tasks. Moreover, for the image classification task, we show that using neural ODE solvers with a sophisticated integration scheme further improves performance.

Photometric data-driven classification of supernovae becomes a challenge due to the appearance of real-time processing of big data in astronomy. Recent studies have demonstrated the superior quality of solutions based on various machine learning models. These models learn to classify supernova types using their light curves as inputs. Preprocessing these curves is a crucial step that significantly affects the final quality. In this talk, we study the application of multilayer perceptron (MLP), bayesian neural network (BNN), and normalizing flows (NF) to approximate observations for a single light curve. We use these approximations as inputs for supernovae classification models and demonstrate that the proposed methods outperform the state-of-the-art based on Gaussian processes applying to the Zwicky Transient Facility Bright Transient Survey light curves. MLP demonstrates similar quality as Gaussian processes and speed increase. Normalizing Flows exceeds Gaussian processes in terms of approximation quality as well.

In order to understand the in-context learning phenomenon, recent works have adopted a stylized experimental framework and demonstrated that Transformers can learn gradient-based learning algorithms for various classes of real-valued functions. However, the limitations of Transformers in implementing learning algorithms, and their ability to learn other forms of algorithms are not well understood. Additionally, the degree to which these capabilities are confined to attention-based models is unclear. Furthermore, it remains to be seen whether the insights derived from these stylized settings can be extrapolated to pretrained Large Language Models (LLMs). In this work, we take a step towards answering these questions by demonstrating the following: (a) On a test-bed with a variety of Boolean function classes, we find that Transformers can nearly match the optimal learning algorithm for 'simpler' tasks, while their performance deteriorates on more 'complex' tasks. Additionally, we find that certain attention-free models perform (almost) identically to Transformers on a range of tasks. (b) When provided a teaching sequence, i.e. a set of examples that uniquely identifies a function in a class, we show that Transformers learn more sample-efficiently. Interestingly, our results show that Transformers can learn to implement two distinct algorithms to solve a single task, and can adaptively select the more sample-efficient algorithm depending on the sequence of in-context examples. (c) Lastly, we show that extant LLMs, e.g. LLaMA-2, GPT-4, can compete with nearest-neighbor baselines on prediction tasks that are guaranteed to not be in their training set.

In-context learning is one of the surprising and useful features of large language models. How it works is an active area of research. Recently, stylized meta-learning-like setups have been devised that train these models on a sequence of input-output pairs (x, f(x)) from a function class using the language modeling loss and observe generalization to unseen functions from the same class. One of the main discoveries in this line of research has been that for several problems such as linear regression, trained transformers learn algorithms for learning functions in context. However, the inductive biases of these models resulting in this behavior are not clearly understood. A model with unlimited training data and compute is a Bayesian predictor: it learns the pretraining distribution. It has been shown that high-capacity transformers mimic the Bayesian predictor for linear regression. In this paper, we show empirical evidence of transformers exhibiting the behavior of this ideal learner across different linear and non-linear function classes. We also extend the previous setups to work in the multitask setting and verify that transformers can do in-context learning in this setup as well and the Bayesian perspective sheds light on this setting also. Finally, via the example of learning Fourier series, we study the inductive bias for in-context learning. We find that in-context learning may or may not have simplicity bias depending on the pretraining data distribution.

Language models (LMs) can make a correct prediction based on many possible signals in a prompt, not all corresponding to recall of factual associations. However, current interpretations of LMs fail to take this into account. For example, given the query "Astrid Lindgren was born in" with the corresponding completion "Sweden", no difference is made between whether the prediction was based on knowing where the author was born or assuming that a person with a Swedish-sounding name was born in Sweden. In this paper, we present a model-specific recipe - PrISM - for constructing datasets with examples of four different prediction scenarios: generic language modeling, guesswork, heuristics recall and exact fact recall. We apply two popular interpretability methods to the scenarios: causal tracing (CT) and information flow analysis. We find that both yield distinct results for each scenario. Results for exact fact recall and generic language modeling scenarios confirm previous conclusions about the importance of mid-range MLP sublayers for fact recall, while results for guesswork and heuristics indicate a critical role of late last token position MLP sublayers. In summary, we contribute resources for a more extensive and granular study of fact completion in LMs, together with analyses that provide a more nuanced understanding of how LMs process fact-related queries.

In recent years, generative pre-trained paradigms such as Large Language Models (LLMs) and Large Vision Models (LVMs) have achieved revolutionary advancements and widespread real-world applications. Particularly, the emergence of pre-trained LLMs-based temporal works, compared to previous deep model approaches, has demonstrated superior generalization and robustness, showcasing the potential of generative pre-trained paradigms as foundation models for time series. However, those LLMs-based works mainly focus on cross-modal research, i.e., leveraging the language capabilities of LLMs in time series contexts. Although they have achieved impressive performance, there still exist the issues of concept drift caused by differences in data distribution and inflexibility caused by misalignment of dimensions. To this end, inspired by recent work on LVMs, we reconsider the paradigm of time series modeling. In this paper, we comprehensively explore, for the first time, the effectiveness and superiority of the Generative Pre-trained Diffusion (GPD) paradigm in real-world multivariate time series forecasting (TSF). Specifically, to mitigate performance bias introduced by sophisticated networks, we propose a straightforward MLP diffusion network for unconditional modeling of time series. Then we employ a zero-shot and tuning-free method to predict (generate) future data using historical data as prompts. The GPD paradigm is established on the time series modality, effectively preventing the phenomenon of concept drift, and enabling flexible forecasting of arbitrary lengths. We demonstrate that the GPD paradigm achieves comprehensive performance and generalization comparable to current SOTA LLM-based and deep model paradigms on mainstream benchmarks and various TSF tasks. Extensive experiments validate the potential of the GPD paradigm and its assistance in future related research.

In-context learning, a capability that enables a model to learn from input examples on the fly without necessitating weight updates, is a defining characteristic of large language models. In this work, we follow the setting proposed in (Garg et al., 2022) to better understand the generality and limitations of in-context learning from the lens of the simple yet fundamental task of linear regression. The key question we aim to address is: Are transformers more adept than some natural and simpler architectures at performing in-context learning under varying distribution shifts? To compare transformers, we propose to use a simple architecture based on set-based Multi-Layer Perceptrons (MLPs). We find that both transformers and set-based MLPs exhibit in-context learning under in-distribution evaluations, but transformers more closely emulate the performance of ordinary least squares (OLS). Transformers also display better resilience to mild distribution shifts, where set-based MLPs falter. However, under severe distribution shifts, both models' in-context learning abilities diminish.

A central goal for mechanistic interpretability has been to identify the right units of analysis in large language models (LLMs) that causally explain their outputs. While early work focused on individual neurons, evidence that neurons often encode multiple concepts has motivated a shift toward analyzing directions in activation space. A key question is how to find directions that capture interpretable features in an unsupervised manner. Current methods rely on dictionary learning with sparse autoencoders (SAEs), commonly trained over residual stream activations to learn directions from scratch. However, SAEs often struggle in causal evaluations and lack intrinsic interpretability, as their learning is not explicitly tied to the computations of the model. Here, we tackle these limitations by directly decomposing MLP activations with semi-nonnegative matrix factorization (SNMF), such that the learned features are (a) sparse linear combinations of co-activated neurons, and (b) mapped to their activating inputs, making them directly interpretable. Experiments on Llama 3.1, Gemma 2 and GPT-2 show that SNMF derived features outperform SAEs and a strong supervised baseline (difference-in-means) on causal steering, while aligning with human-interpretable concepts. Further analysis reveals that specific neuron combinations are reused across semantically-related features, exposing a hierarchical structure in the MLP's activation space. Together, these results position SNMF as a simple and effective tool for identifying interpretable features and dissecting concept representations in LLMs.

Transformers, currently the state-of-the-art in natural language understanding (NLU) tasks, are prone to generate uncalibrated predictions or extreme probabilities, making the process of taking different decisions based on their output relatively difficult. In this paper we propose to build several inductive Venn--ABERS predictors (IVAP), which are guaranteed to be well calibrated under minimal assumptions, based on a selection of pre-trained transformers. We test their performance over a set of diverse NLU tasks and show that they are capable of producing well-calibrated probabilistic predictions that are uniformly spread over the [0,1] interval -- all while retaining the original model's predictive accuracy.

Offline reinforcement learning (RL) aims to find a near-optimal policy using pre-collected datasets. In real-world scenarios, data collection could be costly and risky; therefore, offline RL becomes particularly challenging when the in-domain data is limited. Given recent advances in Large Language Models (LLMs) and their few-shot learning prowess, this paper introduces Language Models for Motion Control (LaMo), a general framework based on Decision Transformers to effectively use pre-trained Language Models (LMs) for offline RL. Our framework highlights four crucial components: (1) Initializing Decision Transformers with sequentially pre-trained LMs, (2) employing the LoRA fine-tuning method, in contrast to full-weight fine-tuning, to combine the pre-trained knowledge from LMs and in-domain knowledge effectively, (3) using the non-linear MLP transformation instead of linear projections, to generate embeddings, and (4) integrating an auxiliary language prediction loss during fine-tuning to stabilize the LMs and retain their original abilities on languages. Empirical results indicate LaMo achieves state-of-the-art performance in sparse-reward tasks and closes the gap between value-based offline RL methods and decision transformers in dense-reward tasks. In particular, our method demonstrates superior performance in scenarios with limited data samples. Our project website is https://lamo2023.github.io

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.

Pre-trained large language models (LLMs) exhibit impressive mathematical reasoning capabilities, yet how they compute basic arithmetic, such as addition, remains unclear. This paper shows that pre-trained LLMs add numbers using Fourier features -- dimensions in the hidden state that represent numbers via a set of features sparse in the frequency domain. Within the model, MLP and attention layers use Fourier features in complementary ways: MLP layers primarily approximate the magnitude of the answer using low-frequency features, while attention layers primarily perform modular addition (e.g., computing whether the answer is even or odd) using high-frequency features. Pre-training is crucial for this mechanism: models trained from scratch to add numbers only exploit low-frequency features, leading to lower accuracy. Introducing pre-trained token embeddings to a randomly initialized model rescues its performance. Overall, our analysis demonstrates that appropriate pre-trained representations (e.g., Fourier features) can unlock the ability of Transformers to learn precise mechanisms for algorithmic tasks.

Learning curve extrapolation aims to predict model performance in later epochs of training, based on the performance in earlier epochs. In this work, we argue that, while the inherent uncertainty in the extrapolation of learning curves warrants a Bayesian approach, existing methods are (i) overly restrictive, and/or (ii) computationally expensive. We describe the first application of prior-data fitted neural networks (PFNs) in this context. A PFN is a transformer, pre-trained on data generated from a prior, to perform approximate Bayesian inference in a single forward pass. We propose LC-PFN, a PFN trained to extrapolate 10 million artificial right-censored learning curves generated from a parametric prior proposed in prior art using MCMC. We demonstrate that LC-PFN can approximate the posterior predictive distribution more accurately than MCMC, while being over 10 000 times faster. We also show that the same LC-PFN achieves competitive performance extrapolating a total of 20 000 real learning curves from four learning curve benchmarks (LCBench, NAS-Bench-201, Taskset, and PD1) that stem from training a wide range of model architectures (MLPs, CNNs, RNNs, and Transformers) on 53 different datasets with varying input modalities (tabular, image, text, and protein data). Finally, we investigate its potential in the context of model selection and find that a simple LC-PFN based predictive early stopping criterion obtains 2 - 6x speed-ups on 45 of these datasets, at virtually no overhead.

Transformers have shown great potential in computer vision tasks. A common belief is their attention-based token mixer module contributes most to their competence. However, recent works show the attention-based module in Transformers can be replaced by spatial MLPs and the resulted models still perform quite well. Based on this observation, we hypothesize that the general architecture of the Transformers, instead of the specific token mixer module, is more essential to the model's performance. To verify this, we deliberately replace the attention module in Transformers with an embarrassingly simple spatial pooling operator to conduct only basic token mixing. Surprisingly, we observe that the derived model, termed as PoolFormer, achieves competitive performance on multiple computer vision tasks. For example, on ImageNet-1K, PoolFormer achieves 82.1% top-1 accuracy, surpassing well-tuned Vision Transformer/MLP-like baselines DeiT-B/ResMLP-B24 by 0.3%/1.1% accuracy with 35%/52% fewer parameters and 50%/62% fewer MACs. The effectiveness of PoolFormer verifies our hypothesis and urges us to initiate the concept of "MetaFormer", a general architecture abstracted from Transformers without specifying the token mixer. Based on the extensive experiments, we argue that MetaFormer is the key player in achieving superior results for recent Transformer and MLP-like models on vision tasks. This work calls for more future research dedicated to improving MetaFormer instead of focusing on the token mixer modules. Additionally, our proposed PoolFormer could serve as a starting baseline for future MetaFormer architecture design. Code is available at https://github.com/sail-sg/poolformer.

Can a mere next-token predictor faithfully model human intelligence? We crystallize this intuitive concern, which is fragmented in the literature. As a starting point, we argue that the two often-conflated phases of next-token prediction -- autoregressive inference and teacher-forced training -- must be treated distinctly. The popular criticism that errors can compound during autoregressive inference, crucially assumes that teacher-forcing has learned an accurate next-token predictor. This assumption sidesteps a more deep-rooted problem we expose: in certain classes of tasks, teacher-forcing can simply fail to learn an accurate next-token predictor in the first place. We describe a general mechanism of how teacher-forcing can fail, and design a minimal planning task where both the Transformer and the Mamba architecture empirically fail in that manner -- remarkably, despite the task being straightforward to learn. We provide preliminary evidence that this failure can be resolved when training to predict multiple tokens in advance. We hope this finding can ground future debates and inspire explorations beyond the next-token prediction paradigm. We make our code available under https://github.com/gregorbachmann/Next-Token-Failures

Printed Electronics (PE) stands out as a promisingtechnology for widespread computing due to its distinct attributes, such as low costs and flexible manufacturing. Unlike traditional silicon-based technologies, PE enables stretchable, conformal,and non-toxic hardware. However, PE are constrained by larger feature sizes, making it challenging to implement complex circuits such as machine learning (ML) classifiers. Approximate computing has been proven to reduce the hardware cost of ML circuits such as Multilayer Perceptrons (MLPs). In this paper, we maximize the benefits of approximate computing by integrating hardware approximation into the MLP training process. Due to the discrete nature of hardware approximation, we propose and implement a genetic-based, approximate, hardware-aware training approach specifically designed for printed MLPs. For a 5% accuracy loss, our MLPs achieve over 5x area and power reduction compared to the baseline while outperforming state of-the-art approximate and stochastic printed MLPs.

We demonstrate that the inference operations of several open-weight large language models (LLMs) can be mapped to an exactly equivalent linear system for an input sequence without modifying the model weights or altering output predictions. Extending techniques from image diffusion models that exhibit local or piecewise linearity, we strategically alter the gradient computation with respect to a given input sequence for a next-token prediction such that the Jacobian of the model nearly exactly reproduces the forward prediction with a linear system. We demonstrate this approach across models (Llama 3, Gemma 3, Qwen 3, Phi 4, Mistral Ministral and OLMo 2, up to Llama 3.3 70B Q4) and show through the singular value decomposition of the detached Jacobian that these LLMs operate in extremely low-dimensional subspaces where many of the largest singular vectors decode to concepts related to the most-likely output token. This approach also allows us to examine the operation of each successive layer (and its attention and MLP components) as nearly-exact linear systems and observe the emergence of semantic concepts. Despite their expressive power and global nonlinearity, modern LLMs can be interpreted through nearly-exact locally linear decompositions that provide insights into their internal representations and reveal interpretable semantic structures in the next-token prediction process.

The ability to control for the kinds of information encoded in neural representation has a variety of use cases, especially in light of the challenge of interpreting these models. We present Iterative Null-space Projection (INLP), a novel method for removing information from neural representations. Our method is based on repeated training of linear classifiers that predict a certain property we aim to remove, followed by projection of the representations on their null-space. By doing so, the classifiers become oblivious to that target property, making it hard to linearly separate the data according to it. While applicable for multiple uses, we evaluate our method on bias and fairness use-cases, and show that our method is able to mitigate bias in word embeddings, as well as to increase fairness in a setting of multi-class classification.

We extend our previous work on Inductive Conformal Prediction (ICP) for multi-label text classification and present a novel approach for addressing the computational inefficiency of the Label Powerset (LP) ICP, arrising when dealing with a high number of unique labels. We present experimental results using the original and the proposed efficient LP-ICP on two English and one Czech language data-sets. Specifically, we apply the LP-ICP on three deep Artificial Neural Network (ANN) classifiers of two types: one based on contextualised (bert) and two on non-contextualised (word2vec) word-embeddings. In the LP-ICP setting we assign nonconformity scores to label-sets from which the corresponding p-values and prediction-sets are determined. Our approach deals with the increased computational burden of LP by eliminating from consideration a significant number of label-sets that will surely have p-values below the specified significance level. This reduces dramatically the computational complexity of the approach while fully respecting the standard CP guarantees. Our experimental results show that the contextualised-based classifier surpasses the non-contextualised-based ones and obtains state-of-the-art performance for all data-sets examined. The good performance of the underlying classifiers is carried on to their ICP counterparts without any significant accuracy loss, but with the added benefits of ICP, i.e. the confidence information encapsulated in the prediction sets. We experimentally demonstrate that the resulting prediction sets can be tight enough to be practically useful even though the set of all possible label-sets contains more than 1e+16 combinations. Additionally, the empirical error rates of the obtained prediction-sets confirm that our outputs are well-calibrated.

The rapid advancement in Large Language Models (LLMs) has markedly enhanced the capabilities of language understanding and generation. However, the substantial model size poses hardware challenges, affecting both memory size for serving and inference latency for token generation. To address those challenges, we propose Dependency-aware Semi-structured Sparsity (DaSS), a novel method for the recent prevalent SwiGLU-based LLMs pruning. Our approach incorporates structural dependency into the weight magnitude-based unstructured pruning. We introduce an MLP-specific pruning metric that evaluates the importance of each weight by jointly considering its magnitude and its corresponding MLP intermediate activation norms. DaSS facilitates a balance between the adaptability offered by unstructured pruning and the structural consistency inherent in dependency-based structured pruning. Empirical evaluations on Mistral and LLaMA2 model families demonstrate that DaSS not only outperforms both SparseGPT and Wanda in achieving hardware-friendly N:M sparsity patterns but also maintains the computational efficiency of Wanda.

We introduce a neural network with a recurrent attention model over a possibly large external memory. The architecture is a form of Memory Network (Weston et al., 2015) but unlike the model in that work, it is trained end-to-end, and hence requires significantly less supervision during training, making it more generally applicable in realistic settings. It can also be seen as an extension of RNNsearch to the case where multiple computational steps (hops) are performed per output symbol. The flexibility of the model allows us to apply it to tasks as diverse as (synthetic) question answering and to language modeling. For the former our approach is competitive with Memory Networks, but with less supervision. For the latter, on the Penn TreeBank and Text8 datasets our approach demonstrates comparable performance to RNNs and LSTMs. In both cases we show that the key concept of multiple computational hops yields improved results.

Large language models (LLMs) with billions of parameters have sparked a new wave of exciting AI applications. However, their high computational costs and memory demands during inference pose significant challenges. Adaptive sparse activation inference, which activates only a small number of neurons for each token, offers a novel way to accelerate model inference without degrading performance, showing great potential for resource-constrained hardware devices. Nevertheless, existing methods predict activated neurons based on individual tokens with additional MLP, which involve frequent changes in activation maps and resource calls, limiting the acceleration benefits of sparse activation. In this paper, we introduce CoreInfer, an MLP-free adaptive sparse activation inference method based on sentence-level prediction. Specifically, we propose the concept of sentence-wise core neurons, which refers to the subset of neurons most critical for a given sentence, and empirically demonstrate its effectiveness. To determine the core neurons, we explore the correlation between core neurons and the sentence's semantics. Remarkably, we discovered that core neurons exhibit both stability and similarity in relation to the sentence's semantics -- an insight overlooked by previous studies. Building on this finding, we further design two semantic-based methods for predicting core neurons to fit different input scenarios. In CoreInfer, the core neurons are determined during the pre-filling stage and fixed during the encoding stage, enabling zero-cost sparse inference. We evaluated the model generalization and task generalization of CoreInfer across various models and tasks. Notably, on an NVIDIA TITAN XP GPU, CoreInfer achieved a 10.33 times and 2.72 times speedup compared to the Huggingface implementation and PowerInfer, respectively.

Self-attention mechanism is the key of the Transformer but often criticized for its computation demands. Previous token pruning works motivate their methods from the view of computation redundancy but still need to load the full network and require same memory costs. This paper introduces a novel strategy that simplifies vision transformers and reduces computational load through the selective removal of non-essential attention layers, guided by entropy considerations. We identify that regarding the attention layer in bottom blocks, their subsequent MLP layers, i.e. two feed-forward layers, can elicit the same entropy quantity. Meanwhile, the accompanied MLPs are under-exploited since they exhibit smaller feature entropy compared to those MLPs in the top blocks. Therefore, we propose to integrate the uninformative attention layers into their subsequent counterparts by degenerating them into identical mapping, yielding only MLP in certain transformer blocks. Experimental results on ImageNet-1k show that the proposed method can remove 40% attention layer of DeiT-B, improving throughput and memory bound without performance compromise. Code is available at https://github.com/sihaoevery/lambda_vit.

In Transformer language models, activation vectors transform from current token embeddings to next token predictions as they pass through the model. To isolate a minimal form of this transformation, we identify language model subnetworks that make bigram predictions, naive next token predictions based only on the current token. We find that bigram subnetworks can be found in fully trained language models up to 1B parameters, and these subnetworks are critical for model performance even when they consist of less than 0.2% of model parameters. Bigram subnetworks are concentrated in the first Transformer MLP layer, and they overlap significantly with subnetworks trained to optimally prune a given model. Mechanistically, the bigram subnetworks often recreate a pattern from the full models where the first layer induces a sharp change that aligns activations with next token predictions rather than current token representations. Our results demonstrate that bigram subnetworks comprise a minimal subset of parameters that are both necessary and sufficient for basic next token predictions in language models, and they help drive the transformation from current to next token activations in the residual stream. These subnetworks can lay a foundation for studying language model circuits by building up from a minimal circuit rather than the traditional approach of ablating circuits from a full model.

Self-supervised learning has emerged as a highly effective approach in the fields of natural language processing and computer vision. It is also applicable to brain signals such as electroencephalography (EEG) data, given the abundance of available unlabeled data that exist in a wide spectrum of real-world medical applications ranging from seizure detection to wave analysis. The existing works leveraging self-supervised learning on EEG modeling mainly focus on pretraining upon each individual dataset corresponding to a single downstream task, which cannot leverage the power of abundant data, and they may derive sub-optimal solutions with a lack of generalization. Moreover, these methods rely on end-to-end model learning which is not easy for humans to understand. In this paper, we present a novel EEG foundation model, namely EEGFormer, pretrained on large-scale compound EEG data. The pretrained model cannot only learn universal representations on EEG signals with adaptable performance on various downstream tasks but also provide interpretable outcomes of the useful patterns within the data. To validate the effectiveness of our model, we extensively evaluate it on various downstream tasks and assess the performance under different transfer settings. Furthermore, we demonstrate how the learned model exhibits transferable anomaly detection performance and provides valuable interpretability of the acquired patterns via self-supervised learning.

Recent works have empirically analyzed in-context learning and shown that transformers trained on synthetic linear regression tasks can learn to implement ridge regression, which is the Bayes-optimal predictor, given sufficient capacity [Aky\"urek et al., 2023], while one-layer transformers with linear self-attention and no MLP layer will learn to implement one step of gradient descent (GD) on a least-squares linear regression objective [von Oswald et al., 2022]. However, the theory behind these observations remains poorly understood. We theoretically study transformers with a single layer of linear self-attention, trained on synthetic noisy linear regression data. First, we mathematically show that when the covariates are drawn from a standard Gaussian distribution, the one-layer transformer which minimizes the pre-training loss will implement a single step of GD on the least-squares linear regression objective. Then, we find that changing the distribution of the covariates and weight vector to a non-isotropic Gaussian distribution has a strong impact on the learned algorithm: the global minimizer of the pre-training loss now implements a single step of pre-conditioned GD. However, if only the distribution of the responses is changed, then this does not have a large effect on the learned algorithm: even when the response comes from a more general family of nonlinear functions, the global minimizer of the pre-training loss still implements a single step of GD on a least-squares linear regression objective.

Language models have achieved remarkable success in various natural language processing tasks. However, their application to time series data, a crucial component in many domains, remains limited. This paper proposes LiPCoT (Linear Predictive Coding based Tokenizer for time series), a novel tokenizer that encodes time series data into a sequence of tokens, enabling self-supervised learning of time series using existing Language model architectures such as BERT. Unlike traditional time series tokenizers that rely heavily on CNN encoder for time series feature generation, LiPCoT employs stochastic modeling through linear predictive coding to create a latent space for time series providing a compact yet rich representation of the inherent stochastic nature of the data. Furthermore, LiPCoT is computationally efficient and can effectively handle time series data with varying sampling rates and lengths, overcoming common limitations of existing time series tokenizers. In this proof-of-concept work, we present the effectiveness of LiPCoT in classifying Parkinson's disease (PD) using an EEG dataset from 46 participants. In particular, we utilize LiPCoT to encode EEG data into a small vocabulary of tokens and then use BERT for self-supervised learning and the downstream task of PD classification. We benchmark our approach against several state-of-the-art CNN-based deep learning architectures for PD detection. Our results reveal that BERT models utilizing self-supervised learning outperformed the best-performing existing method by 7.1% in precision, 2.3% in recall, 5.5% in accuracy, 4% in AUC, and 5% in F1-score highlighting the potential for self-supervised learning even on small datasets. Our work will inform future foundational models for time series, particularly for self-supervised learning.

Transformers have become one of the most important architectural innovations in deep learning and have enabled many breakthroughs over the past few years. Here we propose a simple network architecture, gMLP, based on MLPs with gating, and show that it can perform as well as Transformers in key language and vision applications. Our comparisons show that self-attention is not critical for Vision Transformers, as gMLP can achieve the same accuracy. For BERT, our model achieves parity with Transformers on pretraining perplexity and is better on some downstream NLP tasks. On finetuning tasks where gMLP performs worse, making the gMLP model substantially larger can close the gap with Transformers. In general, our experiments show that gMLP can scale as well as Transformers over increased data and compute.

The sheer size of modern neural networks makes model serving a serious computational challenge. A popular class of compression techniques overcomes this challenge by pruning or sparsifying the weights of pretrained networks. While useful, these techniques often face serious tradeoffs between computational requirements and compression quality. In this work, we propose a novel optimization-based pruning framework that considers the combined effect of pruning (and updating) multiple weights subject to a sparsity constraint. Our approach, CHITA, extends the classical Optimal Brain Surgeon framework and results in significant improvements in speed, memory, and performance over existing optimization-based approaches for network pruning. CHITA's main workhorse performs combinatorial optimization updates on a memory-friendly representation of local quadratic approximation(s) of the loss function. On a standard benchmark of pretrained models and datasets, CHITA leads to significantly better sparsity-accuracy tradeoffs than competing methods. For example, for MLPNet with only 2% of the weights retained, our approach improves the accuracy by 63% relative to the state of the art. Furthermore, when used in conjunction with fine-tuning SGD steps, our method achieves significant accuracy gains over the state-of-the-art approaches.

A central notion in practical and theoretical machine learning is that of a weak learner, classifiers that achieve better-than-random performance (on any given distribution over data), even by a small margin. Such weak learners form the practical basis for canonical machine learning methods such as boosting. In this work, we illustrate that prompt-based large language models can operate effectively as said weak learners. Specifically, we illustrate the use of a large language model (LLM) as a weak learner in a boosting algorithm applied to tabular data. We show that by providing (properly sampled according to the distribution of interest) text descriptions of tabular data samples, LLMs can produce a summary of the samples that serves as a template for classification and achieves the aim of acting as a weak learner on this task. We incorporate these models into a boosting approach, which in some settings can leverage the knowledge within the LLM to outperform traditional tree-based boosting. The model outperforms both few-shot learning and occasionally even more involved fine-tuning procedures, particularly for tasks involving small numbers of data points. The results illustrate the potential for prompt-based LLMs to function not just as few-shot learners themselves, but as components of larger machine learning pipelines.

This paper reports the first brain-inspired large language model (BriLLM). This is a non-Transformer, non-GPT, non-traditional machine learning input-output controlled generative language model. The model is based on the Signal Fully-connected flowing (SiFu) definition on the directed graph in terms of the neural network, and has the interpretability of all nodes on the graph of the whole model, instead of the traditional machine learning model that only has limited interpretability at the input and output ends. In the language model scenario, the token is defined as a node in the graph. A randomly shaped or user-defined signal flow flows between nodes on the principle of "least resistance" along paths. The next token or node to be predicted or generated is the target of the signal flow. As a language model, BriLLM theoretically supports infinitely long n-gram models when the model size is independent of the input and predicted length of the model. The model's working signal flow provides the possibility of recall activation and innate multi-modal support similar to the cognitive patterns of the human brain. At present, we released the first BriLLM version in Chinese, with 4000 tokens, 32-dimensional node width, 16-token long sequence prediction ability, and language model prediction performance comparable to GPT-1. More computing power will help us explore the infinite possibilities depicted above.

This study introduces BrainTransformers, an innovative Large Language Model (LLM) implemented using Spiking Neural Networks (SNN). Our key contributions include: (1) designing SNN-compatible Transformer components such as SNNMatmul, SNNSoftmax, and SNNSiLU; (2) implementing an SNN approximation of the SiLU activation function; and (3) developing a Synapsis module to simulate synaptic plasticity. Our 3-billion parameter model, BrainTransformers-3B-Chat, demonstrates competitive performance across various benchmarks, including MMLU (63.2), BBH (54.1), ARC-C (54.3), and GSM8K (76.3), while potentially offering improved energy efficiency and biological plausibility. The model employs a three-stage training approach, including SNN-specific neuronal synaptic plasticity training. This research opens new avenues for brain-like AI systems in natural language processing and neuromorphic computing. Future work will focus on hardware optimization, developing specialized SNN fine-tuning tools, and exploring practical applications in energy-efficient computing environments.

Representations from transformer-based unidirectional language models are known to be effective at predicting brain responses to natural language. However, most studies comparing language models to brains have used GPT-2 or similarly sized language models. Here we tested whether larger open-source models such as those from the OPT and LLaMA families are better at predicting brain responses recorded using fMRI. Mirroring scaling results from other contexts, we found that brain prediction performance scales log-linearly with model size from 125M to 30B parameter models, with ~15% increased encoding performance as measured by correlation with a held-out test set across 3 subjects. Similar log-linear behavior was observed when scaling the size of the fMRI training set. We also characterized scaling for acoustic encoding models that use HuBERT, WavLM, and Whisper, and we found comparable improvements with model size. A noise ceiling analysis of these large, high-performance encoding models showed that performance is nearing the theoretical maximum for brain areas such as the precuneus and higher auditory cortex. These results suggest that increasing scale in both models and data will yield incredibly effective models of language processing in the brain, enabling better scientific understanding as well as applications such as decoding.

Neural Module Networks, originally proposed for the task of visual question answering, are a class of neural network architectures that involve human-specified neural modules, each designed for a specific form of reasoning. In current formulations of such networks only the parameters of the neural modules and/or the order of their execution is learned. In this work, we further expand this approach and also learn the underlying internal structure of modules in terms of the ordering and combination of simple and elementary arithmetic operators. Our results show that one is indeed able to simultaneously learn both internal module structure and module sequencing without extra supervisory signals for module execution sequencing. With this approach, we report performance comparable to models using hand-designed modules.

This paper presents a way of doing large scale audio understanding without traditional state of the art neural architectures. Ever since the introduction of deep learning for understanding audio signals in the past decade, convolutional architectures have been able to achieve state of the art results surpassing traditional hand-crafted features. In the recent past, there has been a similar shift away from traditional convolutional and recurrent neural networks towards purely end-to-end Transformer architectures. We, in this work, explore an approach, based on Bag-of-Words model. Our approach does not have any convolutions, recurrence, attention, transformers or other approaches such as BERT. We utilize micro and macro level clustered vanilla embeddings, and use a MLP head for classification. We only use feed-forward encoder-decoder models to get the bottlenecks of spectral envelops, spectral patches and slices as well as multi-resolution spectra. A classification head (a feed-forward layer), similar to the approach in SimCLR is trained on a learned representation. Using simple codes learned on latent representations, we show how we surpass traditional convolutional neural network architectures, and come strikingly close to outperforming powerful Transformer architectures. This work hopefully would pave way for exciting advancements in the field of representation learning without massive, end-to-end neural architectures.

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited -- most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework, where the unsupervised representation learning task is specified by an abstract class of latent variable models Phi and the downstream task is specified by a class of prediction functions Psi. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ''informative'' condition, our algorithm achieves an excess risk of mathcal{O}(mathcal{C_Phi/m} + mathcal{C_Psi/n}) for downstream tasks, where C_Phi, C_Psi are complexity measures of function classes Phi, Psi, and m, n are the number of unlabeled and labeled data respectively. Comparing to the baseline of mathcal{O}(mathcal{C_{Phi circ Psi}/n}) achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when m gg n and C_{Phicirc Psi} > C_Psi. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

Transformer architecture currently represents the main driver behind many successes in a variety of tasks addressed by deep learning, especially the recent advances in natural language processing (NLP) culminating with large language models (LLM). In addition, transformer architecture has found a wide spread of interest from computer vision (CV) researchers and practitioners, allowing for many advancements in vision-related tasks and opening the door for multi-task and multi-modal deep learning architectures that share the same principle of operation. One drawback to these architectures is their reliance on the scaled dot product attention mechanism with the softmax activation function, which is computationally expensive and requires large compute capabilities both for training and inference. This paper investigates substituting the attention mechanism usually adopted for transformer architecture with an architecture incorporating gated linear unit (GLU) activation within a multi-layer perceptron (MLP) structure in conjunction with the default MLP incorporated in the traditional transformer design. Another step forward taken by this paper is to eliminate the second non-gated MLP to further reduce the computational cost. Experimental assessments conducted by this research show that both proposed modifications and reductions offer competitive performance in relation to baseline architectures, in support of the aims of this work in establishing a more efficient yet capable alternative to the traditional attention mechanism as the core component in designing transformer architectures.

We propose Joint MLP/Attention (JoMA) dynamics, a novel mathematical framework to understand the training procedure of multilayer Transformer architectures. This is achieved by integrating out the self-attention layer in Transformers, producing a modified dynamics of MLP layers only. JoMA removes unrealistic assumptions in previous analysis (e.g., lack of residual connection) and predicts that the attention first becomes sparse (to learn salient tokens), then dense (to learn less salient tokens) in the presence of nonlinear activations, while in the linear case, it is consistent with existing works that show attention becomes sparse over time. We leverage JoMA to qualitatively explains how tokens are combined to form hierarchies in multilayer Transformers, when the input tokens are generated by a latent hierarchical generative model. Experiments on models trained from real-world dataset (Wikitext2/Wikitext103) and various pre-trained models (OPT, Pythia) verify our theoretical findings.

In this study, we introduce an innovative deep learning framework that employs a transformer model to address the challenges of mixed-integer programs, specifically focusing on the Capacitated Lot Sizing Problem (CLSP). Our approach, to our knowledge, is the first to utilize transformers to predict the binary variables of a mixed-integer programming (MIP) problem. Specifically, our approach harnesses the encoder decoder transformer's ability to process sequential data, making it well-suited for predicting binary variables indicating production setup decisions in each period of the CLSP. This problem is inherently dynamic, and we need to handle sequential decision making under constraints. We present an efficient algorithm in which CLSP solutions are learned through a transformer neural network. The proposed post-processed transformer algorithm surpasses the state-of-the-art solver, CPLEX and Long Short-Term Memory (LSTM) in solution time, optimal gap, and percent infeasibility over 240K benchmark CLSP instances tested. After the ML model is trained, conducting inference on the model, reduces the MIP into a linear program (LP). This transforms the ML-based algorithm, combined with an LP solver, into a polynomial-time approximation algorithm to solve a well-known NP-Hard problem, with almost perfect solution quality.

Large pre-trained time series foundation models (TSFMs) have demonstrated promising zero-shot performance across a wide range of domains. However, a question remains: Do TSFMs succeed solely by memorizing training patterns, or do they possess the ability to reason? While reasoning is a topic of great interest in the study of Large Language Models (LLMs), it is undefined and largely unexplored in the context of TSFMs. In this work, inspired by language modeling literature, we formally define compositional reasoning in forecasting and distinguish it from in-distribution generalization. We evaluate the reasoning and generalization capabilities of 23 popular deep learning forecasting models on multiple synthetic and real-world datasets. Additionally, through controlled studies, we systematically examine which design choices in TSFMs contribute to improved reasoning abilities. Our study yields key insights into the impact of TSFM architecture design on compositional reasoning and generalization. We find that patch-based Transformers have the best reasoning performance, closely followed by residualized MLP-based architectures, which are 97\% less computationally complex in terms of FLOPs and 86\% smaller in terms of the number of trainable parameters. Interestingly, in some zero-shot out-of-distribution scenarios, these models can outperform moving average and exponential smoothing statistical baselines trained on in-distribution data. Only a few design choices, such as the tokenization method, had a significant (negative) impact on Transformer model performance.

Neural fields, which represent signals as a function parameterized by a neural network, are a promising alternative to traditional discrete vector or grid-based representations. Compared to discrete representations, neural representations both scale well with increasing resolution, are continuous, and can be many-times differentiable. However, given a dataset of signals that we would like to represent, having to optimize a separate neural field for each signal is inefficient, and cannot capitalize on shared information or structures among signals. Existing generalization methods view this as a meta-learning problem and employ gradient-based meta-learning to learn an initialization which is then fine-tuned with test-time optimization, or learn hypernetworks to produce the weights of a neural field. We instead propose a new paradigm that views the large-scale training of neural representations as a part of a partially-observed neural process framework, and leverage neural process algorithms to solve this task. We demonstrate that this approach outperforms both state-of-the-art gradient-based meta-learning approaches and hypernetwork approaches.

The greatest ambition of mechanistic interpretability is to completely rewrite deep neural networks in a format that is more amenable to human understanding, while preserving their behavior and performance. In this paper, we attempt to partially rewrite a large language model using simple natural language explanations. We first approximate one of the feedforward networks in the LLM with a wider MLP with sparsely activating neurons - a transcoder - and use an automated interpretability pipeline to generate explanations for these neurons. We then replace the first layer of this sparse MLP with an LLM-based simulator, which predicts the activation of each neuron given its explanation and the surrounding context. Finally, we measure the degree to which these modifications distort the model's final output. With our pipeline, the model's increase in loss is statistically similar to entirely replacing the sparse MLP output with the zero vector. We employ the same protocol, this time using a sparse autoencoder, on the residual stream of the same layer and obtain similar results. These results suggest that more detailed explanations are needed to improve performance substantially above the zero ablation baseline.

Large language models (LLMs) have demonstrated remarkable potential across numerous applications and have shown an emergent ability to tackle complex reasoning tasks, such as mathematical computations. However, even for the simplest arithmetic calculations, the intrinsic mechanisms behind LLMs remain mysterious, making it challenging to ensure reliability. In this work, we delve into uncovering a specific mechanism by which LLMs execute calculations. Through comprehensive experiments, we find that LLMs frequently involve a small fraction (< 5%) of attention heads, which play a pivotal role in focusing on operands and operators during calculation processes. Subsequently, the information from these operands is processed through multi-layer perceptrons (MLPs), progressively leading to the final solution. These pivotal heads/MLPs, though identified on a specific dataset, exhibit transferability across different datasets and even distinct tasks. This insight prompted us to investigate the potential benefits of selectively fine-tuning these essential heads/MLPs to boost the LLMs' computational performance. We empirically find that such precise tuning can yield notable enhancements on mathematical prowess, without compromising the performance on non-mathematical tasks. Our work serves as a preliminary exploration into the arithmetic calculation abilities inherent in LLMs, laying a solid foundation to reveal more intricate mathematical tasks.

We show that feedforward neural networks with ReLU activation generalize on low complexity data, suitably defined. Given i.i.d. data generated from a simple programming language, the minimum description length (MDL) feedforward neural network which interpolates the data generalizes with high probability. We define this simple programming language, along with a notion of description length of such networks. We provide several examples on basic computational tasks, such as checking primality of a natural number, and more. For primality testing, our theorem shows the following. Suppose that we draw an i.i.d. sample of Theta(N^{delta}ln N) numbers uniformly at random from 1 to N, where deltain (0,1). For each number x_i, let y_i = 1 if x_i is a prime and 0 if it is not. Then with high probability, the MDL network fitted to this data accurately answers whether a newly drawn number between 1 and N is a prime or not, with test error leq O(N^{-delta}). Note that the network is not designed to detect primes; minimum description learning discovers a network which does so.

Recurrent neural network (RNN) and self-attention mechanism (SAM) are the de facto methods to extract spatial-temporal information for temporal graph learning. Interestingly, we found that although both RNN and SAM could lead to a good performance, in practice neither of them is always necessary. In this paper, we propose GraphMixer, a conceptually and technically simple architecture that consists of three components: (1) a link-encoder that is only based on multi-layer perceptrons (MLP) to summarize the information from temporal links, (2) a node-encoder that is only based on neighbor mean-pooling to summarize node information, and (3) an MLP-based link classifier that performs link prediction based on the outputs of the encoders. Despite its simplicity, GraphMixer attains an outstanding performance on temporal link prediction benchmarks with faster convergence and better generalization performance. These results motivate us to rethink the importance of simpler model architecture.

Causal decoder-only transformer models used for generative language modelling, such as Generative Pre-trained Transformers (GPT), are trained to predict the next token in a sequence based only on its previous tokens. Despite this simple training objective, they have proved to be powerful AI tools. However, only predicting the next token results in top layer embedding vectors that are highly token-focused. There may be benefits in generating embedding vectors at each token position that better capture the overall meaning of longer sequences of future text. Recent studies matching brain scans with deep language models suggest that humans also predict upcoming words when listening or reading but consider multiple future tokens rather than just one. This research investigates a new pretraining method called Future Token Prediction (FTP). In FTP, a large transformer encoder generates top layer embedding vectors for each token position, which, instead of being passed to a language head, are linearly and expansively projected to a pseudo-sequence, which is cross attended to by a small transformer decoder to predict the next N tokens forward from that position in the sequence. The top layer embedding vectors from FTP models exhibit distinct properties compared to those from standard GPT models, varying smoothly along a text sequence as measured by cosine similarity between adjacent tokens. Text generated by FTP models show improved topic coherence compared to standard GPT-like models trained with the same prediction perplexity for the next single token. The vectors are shown to better represent the topic of text based on the results of text classification examples. On a toy, but complex, coding problem, FTP networks produce significantly better results than GPT networks.

Much research in machine learning involves finding appropriate inductive biases (e.g. convolutional neural networks, momentum-based optimizers, transformers) to promote generalization on tasks. However, quantification of the amount of inductive bias associated with these architectures and hyperparameters has been limited. We propose a novel method for efficiently computing the inductive bias required for generalization on a task with a fixed training data budget; formally, this corresponds to the amount of information required to specify well-generalizing models within a specific hypothesis space of models. Our approach involves modeling the loss distribution of random hypotheses drawn from a hypothesis space to estimate the required inductive bias for a task relative to these hypotheses. Unlike prior work, our method provides a direct estimate of inductive bias without using bounds and is applicable to diverse hypothesis spaces. Moreover, we derive approximation error bounds for our estimation approach in terms of the number of sampled hypotheses. Consistent with prior results, our empirical results demonstrate that higher dimensional tasks require greater inductive bias. We show that relative to other expressive model classes, neural networks as a model class encode large amounts of inductive bias. Furthermore, our measure quantifies the relative difference in inductive bias between different neural network architectures. Our proposed inductive bias metric provides an information-theoretic interpretation of the benefits of specific model architectures for certain tasks and provides a quantitative guide to developing tasks requiring greater inductive bias, thereby encouraging the development of more powerful inductive biases.

Developing Intelligent Systems involves artificial intelligence approaches including artificial neural networks. Here, we present a tutorial of Deep Neural Networks (DNNs), and some insights about the origin of the term "deep"; references to deep learning are also given. Restricted Boltzmann Machines, which are the core of DNNs, are discussed in detail. An example of a simple two-layer network, performing unsupervised learning for unlabeled data, is shown. Deep Belief Networks (DBNs), which are used to build networks with more than two layers, are also described. Moreover, examples for supervised learning with DNNs performing simple prediction and classification tasks, are presented and explained. This tutorial includes two intelligent pattern recognition applications: hand- written digits (benchmark known as MNIST) and speech recognition.

We study the problem of combining neural networks with symbolic reasoning. Recently introduced frameworks for Probabilistic Neurosymbolic Learning (PNL), such as DeepProbLog, perform exponential-time exact inference, limiting the scalability of PNL solutions. We introduce Approximate Neurosymbolic Inference (A-NeSI): a new framework for PNL that uses neural networks for scalable approximate inference. A-NeSI 1) performs approximate inference in polynomial time without changing the semantics of probabilistic logics; 2) is trained using data generated by the background knowledge; 3) can generate symbolic explanations of predictions; and 4) can guarantee the satisfaction of logical constraints at test time, which is vital in safety-critical applications. Our experiments show that A-NeSI is the first end-to-end method to solve three neurosymbolic tasks with exponential combinatorial scaling. Finally, our experiments show that A-NeSI achieves explainability and safety without a penalty in performance.

Deep learning models have revolutionized various domains, with Multi-Layer Perceptrons (MLPs) being a cornerstone for tasks like data regression and image classification. However, a recent study has introduced Kolmogorov-Arnold Networks (KANs) as promising alternatives to MLPs, leveraging activation functions placed on edges rather than nodes. This structural shift aligns KANs closely with the Kolmogorov-Arnold representation theorem, potentially enhancing both model accuracy and interpretability. In this study, we explore the efficacy of KANs in the context of data representation via autoencoders, comparing their performance with traditional Convolutional Neural Networks (CNNs) on the MNIST, SVHN, and CIFAR-10 datasets. Our results demonstrate that KAN-based autoencoders achieve competitive performance in terms of reconstruction accuracy, thereby suggesting their viability as effective tools in data analysis tasks.

Memory-based meta-learning is a technique for approximating Bayes-optimal predictors. Under fairly general conditions, minimizing sequential prediction error, measured by the log loss, leads to implicit meta-learning. The goal of this work is to investigate how far this interpretation can be realized by current sequence prediction models and training regimes. The focus is on piecewise stationary sources with unobserved switching-points, which arguably capture an important characteristic of natural language and action-observation sequences in partially observable environments. We show that various types of memory-based neural models, including Transformers, LSTMs, and RNNs can learn to accurately approximate known Bayes-optimal algorithms and behave as if performing Bayesian inference over the latent switching-points and the latent parameters governing the data distribution within each segment.

Machine learning research has advanced in multiple aspects, including model structures and learning methods. The effort to automate such research, known as AutoML, has also made significant progress. However, this progress has largely focused on the architecture of neural networks, where it has relied on sophisticated expert-designed layers as building blocks---or similarly restrictive search spaces. Our goal is to show that AutoML can go further: it is possible today to automatically discover complete machine learning algorithms just using basic mathematical operations as building blocks. We demonstrate this by introducing a novel framework that significantly reduces human bias through a generic search space. Despite the vastness of this space, evolutionary search can still discover two-layer neural networks trained by backpropagation. These simple neural networks can then be surpassed by evolving directly on tasks of interest, e.g. CIFAR-10 variants, where modern techniques emerge in the top algorithms, such as bilinear interactions, normalized gradients, and weight averaging. Moreover, evolution adapts algorithms to different task types: e.g., dropout-like techniques appear when little data is available. We believe these preliminary successes in discovering machine learning algorithms from scratch indicate a promising new direction for the field.

"Induction heads" are attention heads that implement a simple algorithm to complete token sequences like [A][B] ... [A] -> [B]. In this work, we present preliminary and indirect evidence for a hypothesis that induction heads might constitute the mechanism for the majority of all "in-context learning" in large transformer models (i.e. decreasing loss at increasing token indices). We find that induction heads develop at precisely the same point as a sudden sharp increase in in-context learning ability, visible as a bump in the training loss. We present six complementary lines of evidence, arguing that induction heads may be the mechanistic source of general in-context learning in transformer models of any size. For small attention-only models, we present strong, causal evidence; for larger models with MLPs, we present correlational evidence.

Large Language Models (LLMs) typically have billions of parameters and are thus often difficult to interpret in their operation. Such black-box models can pose a significant risk to safety when trusted to make important decisions. The lack of interpretability of LLMs is more related to their sheer size, rather than the complexity of their individual components. The TARS method for knowledge removal (Davies et al 2024) provides strong evidence for the hypothesis that that linear layer weights which act directly on the residual stream may have high correlation with different concepts encoded in the residual stream. Building upon this, we attempt to decode neuron weights directly into token probabilities through the final projection layer of the model (the LM-head). Firstly, we show that with Llama 3.1 8B we can utilise the LM-head to decode specialised feature neurons that respond strongly to certain concepts, with examples such as "dog" and "California". This is then confirmed by demonstrating that these neurons can be clamped to affect the probability of the concept in the output. This extends to the fine-tuned assistant Llama 3.1 8B instruct model, where we find that over 75% of neurons in the up-projection layers have the same top associated token compared to the pretrained model. Finally, we demonstrate that clamping the "dog" neuron leads the instruct model to always discuss dogs when asked about its favourite animal. Through our method, it is possible to map the entirety of Llama 3.1 8B's up-projection neurons in less than 15 minutes with no parallelization.

Recent work investigates whether LMs learn human-like linguistic generalizations and representations from developmentally plausible amounts of data. Yet, the basic linguistic units processed in these LMs are determined by subword-based tokenization, which limits their validity as models of learning at and below the word level. In this paper, we explore the potential of tokenization-free, phoneme- and grapheme-based language models. We demonstrate that small models based on the Llama architecture can achieve strong linguistic performance on standard syntactic and novel lexical/phonetic benchmarks when trained with character-level vocabularies. We further show that phoneme-based models almost match grapheme-based models in standard tasks and novel evaluations. Our findings suggest a promising direction for creating more linguistically plausible language models that are better suited for computational studies of language acquisition and processing.

Self-attention performs well in long context but has quadratic complexity. Existing RNN layers have linear complexity, but their performance in long context is limited by the expressive power of their hidden state. We propose a new class of sequence modeling layers with linear complexity and an expressive hidden state. The key idea is to make the hidden state a machine learning model itself, and the update rule a step of self-supervised learning. Since the hidden state is updated by training even on test sequences, our layers are called Test-Time Training (TTT) layers. We consider two instantiations: TTT-Linear and TTT-MLP, whose hidden state is a linear model and a two-layer MLP respectively. We evaluate our instantiations at the scale of 125M to 1.3B parameters, comparing with a strong Transformer and Mamba, a modern RNN. Both TTT-Linear and TTT-MLP match or exceed the baselines. Similar to Transformer, they can keep reducing perplexity by conditioning on more tokens, while Mamba cannot after 16k context. With preliminary systems optimization, TTT-Linear is already faster than Transformer at 8k context and matches Mamba in wall-clock time. TTT-MLP still faces challenges in memory I/O, but shows larger potential in long context, pointing to a promising direction for future research.

Cognitively inspired Natural Language Pro-cessing uses human-derived behavioral datalike eye-tracking data, which reflect the seman-tic representations of language in the humanbrain to augment the neural nets to solve arange of tasks spanning syntax and semanticswith the aim of teaching machines about lan-guage processing mechanisms. In this paper,we use the ZuCo 1.0 and ZuCo 2.0 dataset con-taining the eye-gaze features to explore differ-ent linguistic models to directly predict thesegaze features for each word with respect to itssentence. We tried different neural networkmodels with the words as inputs to predict thetargets. And after lots of experimentation andfeature engineering finally devised a novel ar-chitecture consisting of RoBERTa Token Clas-sifier with a dense layer on top for languagemodeling and a stand-alone model consistingof dense layers followed by a transformer layerfor the extra features we engineered. Finally,we took the mean of the outputs of both thesemodels to make the final predictions. We eval-uated the models using mean absolute error(MAE) and the R2 score for each target.

Large language models such as GPT and Llama are trained with a next-token prediction loss. In this work, we suggest that training language models to predict multiple future tokens at once results in higher sample efficiency. More specifically, at each position in the training corpus, we ask the model to predict the following n tokens using n independent output heads, operating on top of a shared model trunk. Considering multi-token prediction as an auxiliary training task, we measure improved downstream capabilities with no overhead in training time for both code and natural language models. The method is increasingly useful for larger model sizes, and keeps its appeal when training for multiple epochs. Gains are especially pronounced on generative benchmarks like coding, where our models consistently outperform strong baselines by several percentage points. Our 13B parameter models solves 12 % more problems on HumanEval and 17 % more on MBPP than comparable next-token models. Experiments on small algorithmic tasks demonstrate that multi-token prediction is favorable for the development of induction heads and algorithmic reasoning capabilities. As an additional benefit, models trained with 4-token prediction are up to 3 times faster at inference, even with large batch sizes.

In this work we build a stack of machine learning models aimed at composing a state-of-the-art credit rating and default prediction system, obtaining excellent out-of-sample performances. Our approach is an excursion through the most recent ML / AI concepts, starting from natural language processes (NLP) applied to economic sectors' (textual) descriptions using embedding and autoencoders (AE), going through the classification of defaultable firms on the base of a wide range of economic features using gradient boosting machines (GBM) and calibrating their probabilities paying due attention to the treatment of unbalanced samples. Finally we assign credit ratings through genetic algorithms (differential evolution, DE). Model interpretability is achieved by implementing recent techniques such as SHAP and LIME, which explain predictions locally in features' space.

This paper studies the curious phenomenon for machine learning models with Transformer architectures that their activation maps are sparse. By activation map we refer to the intermediate output of the multi-layer perceptrons (MLPs) after a ReLU activation function, and by sparse we mean that on average very few entries (e.g., 3.0% for T5-Base and 6.3% for ViT-B16) are nonzero for each input to MLP. Moreover, larger Transformers with more layers and wider MLP hidden dimensions are sparser as measured by the percentage of nonzero entries. Through extensive experiments we demonstrate that the emergence of sparsity is a prevalent phenomenon that occurs for both natural language processing and vision tasks, on both training and evaluation data, for Transformers of various configurations, at layers of all depth levels, as well as for other architectures including MLP-mixers and 2-layer MLPs. We show that sparsity also emerges using training datasets with random labels, or with random inputs, or with infinite amount of data, demonstrating that sparsity is not a result of a specific family of datasets. We discuss how sparsity immediately implies a way to significantly reduce the FLOP count and improve efficiency for Transformers. Moreover, we demonstrate perhaps surprisingly that enforcing an even sparser activation via Top-k thresholding with a small value of k brings a collection of desired but missing properties for Transformers, namely less sensitivity to noisy training data, more robustness to input corruptions, and better calibration for their prediction confidence.

We present a feasibility-seeking approach to neural network training. This mathematical optimization framework is distinct from conventional gradient-based loss minimization and uses projection operators and iterative projection algorithms. We reformulate training as a large-scale feasibility problem: finding network parameters and states that satisfy local constraints derived from its elementary operations. Training then involves projecting onto these constraints, a local operation that can be parallelized across the network. We introduce PJAX, a JAX-based software framework that enables this paradigm. PJAX composes projection operators for elementary operations, automatically deriving the solution operators for the feasibility problems (akin to autodiff for derivatives). It inherently supports GPU/TPU acceleration, provides a familiar NumPy-like API, and is extensible. We train diverse architectures (MLPs, CNNs, RNNs) on standard benchmarks using PJAX, demonstrating its functionality and generality. Our results show that this approach is as a compelling alternative to gradient-based training, with clear advantages in parallelism and the ability to handle non-differentiable operations.

Despite their remarkable success in language modeling, transformers trained to predict the next token in a sequence struggle with long-term planning. This limitation is particularly evident in tasks requiring foresight to plan multiple steps ahead such as maze navigation. The standard next single token prediction objective, however, offers no explicit mechanism to predict multiple steps ahead - or revisit the path taken so far. Consequently, in this work we study whether explicitly predicting multiple steps ahead (and backwards) can improve transformers' maze navigation. We train parameter-matched transformers from scratch, under identical settings, to navigate mazes of varying types and sizes with standard next token prediction and MLM-U, an objective explicitly predicting multiple steps ahead and backwards. We find that MLM-U considerably improves transformers' ability to navigate mazes compared to standard next token prediction across maze types and complexities. We also find MLM-U training is 4x more sample efficient and converges 2x faster in terms of GPU training hours relative to next token training. Finally, for more complex mazes we find MLM-U benefits from scaling to larger transformers. Remarkably, we find transformers trained with MLM-U outperform larger transformers trained with next token prediction using additional supervision from A* search traces. We hope these findings underscore the promise of learning objectives to advance transformers' capacity for long-term planning.

This paper considers the Pointer Value Retrieval (PVR) benchmark introduced in [ZRKB21], where a 'reasoning' function acts on a string of digits to produce the label. More generally, the paper considers the learning of logical functions with gradient descent (GD) on neural networks. It is first shown that in order to learn logical functions with gradient descent on symmetric neural networks, the generalization error can be lower-bounded in terms of the noise-stability of the target function, supporting a conjecture made in [ZRKB21]. It is then shown that in the distribution shift setting, when the data withholding corresponds to freezing a single feature (referred to as canonical holdout), the generalization error of gradient descent admits a tight characterization in terms of the Boolean influence for several relevant architectures. This is shown on linear models and supported experimentally on other models such as MLPs and Transformers. In particular, this puts forward the hypothesis that for such architectures and for learning logical functions such as PVR functions, GD tends to have an implicit bias towards low-degree representations, which in turn gives the Boolean influence for the generalization error under quadratic loss.

In this work, we propose a concise neural operator architecture for operator learning. Drawing an analogy with a conventional fully connected neural network, we define the neural operator as follows: the output of the i-th neuron in a nonlinear operator layer is defined by mathcal O_i(u) = sigmaleft( sum_j mathcal W_{ij} u + mathcal B_{ij}right). Here, mathcal W_{ij} denotes the bounded linear operator connecting j-th input neuron to i-th output neuron, and the bias mathcal B_{ij} takes the form of a function rather than a scalar. Given its new universal approximation property, the efficient parameterization of the bounded linear operators between two neurons (Banach spaces) plays a critical role. As a result, we introduce MgNO, utilizing multigrid structures to parameterize these linear operators between neurons. This approach offers both mathematical rigor and practical expressivity. Additionally, MgNO obviates the need for conventional lifting and projecting operators typically required in previous neural operators. Moreover, it seamlessly accommodates diverse boundary conditions. Our empirical observations reveal that MgNO exhibits superior ease of training compared to other CNN-based models, while also displaying a reduced susceptibility to overfitting when contrasted with spectral-type neural operators. We demonstrate the efficiency and accuracy of our method with consistently state-of-the-art performance on different types of partial differential equations (PDEs).

The ability of neural networks to represent more features than neurons makes interpreting them challenging. This phenomenon, known as superposition, has spurred efforts to find architectures that are more interpretable than standard multilayer perceptrons (MLPs) with elementwise activation functions. In this note, I examine bilinear layers, which are a type of MLP layer that are mathematically much easier to analyze while simultaneously performing better than standard MLPs. Although they are nonlinear functions of their input, I demonstrate that bilinear layers can be expressed using only linear operations and third order tensors. We can integrate this expression for bilinear layers into a mathematical framework for transformer circuits, which was previously limited to attention-only transformers. These results suggest that bilinear layers are easier to analyze mathematically than current architectures and thus may lend themselves to deeper safety insights by allowing us to talk more formally about circuits in neural networks. Additionally, bilinear layers may offer an alternative path for mechanistic interpretability through understanding the mechanisms of feature construction instead of enumerating a (potentially exponentially) large number of features in large models.

Pre-trained Large Language Models (LLMs) encapsulate large amounts of knowledge and take enormous amounts of compute to train. We make use of this resource, together with the observation that LLMs are able to transfer knowledge and performance from one domain or even modality to another seemingly-unrelated area, to help with multivariate demand time series forecasting. Attention in transformer-based methods requires something worth attending to -- more than just samples of a time-series. We explore different methods to map multivariate input time series into the LLM token embedding space. In particular, our novel multivariate patching strategy to embed time series features into decoder-only pre-trained Transformers produces results competitive with state-of-the-art time series forecasting models. We also use recently-developed weight-based diagnostics to validate our findings.

Contrastive unsupervised learning has recently shown encouraging progress, e.g., in Momentum Contrast (MoCo) and SimCLR. In this note, we verify the effectiveness of two of SimCLR's design improvements by implementing them in the MoCo framework. With simple modifications to MoCo---namely, using an MLP projection head and more data augmentation---we establish stronger baselines that outperform SimCLR and do not require large training batches. We hope this will make state-of-the-art unsupervised learning research more accessible. Code will be made public.

The ability to learn tasks in a sequential fashion is crucial to the development of artificial intelligence. Neural networks are not, in general, capable of this and it has been widely thought that catastrophic forgetting is an inevitable feature of connectionist models. We show that it is possible to overcome this limitation and train networks that can maintain expertise on tasks which they have not experienced for a long time. Our approach remembers old tasks by selectively slowing down learning on the weights important for those tasks. We demonstrate our approach is scalable and effective by solving a set of classification tasks based on the MNIST hand written digit dataset and by learning several Atari 2600 games sequentially.

Transformer models can use two fundamentally different kinds of information: information stored in weights during training, and information provided ``in-context'' at inference time. In this work, we show that transformers exhibit different inductive biases in how they represent and generalize from the information in these two sources. In particular, we characterize whether they generalize via parsimonious rules (rule-based generalization) or via direct comparison with observed examples (exemplar-based generalization). This is of important practical consequence, as it informs whether to encode information in weights or in context, depending on how we want models to use that information. In transformers trained on controlled stimuli, we find that generalization from weights is more rule-based whereas generalization from context is largely exemplar-based. In contrast, we find that in transformers pre-trained on natural language, in-context learning is significantly rule-based, with larger models showing more rule-basedness. We hypothesise that rule-based generalization from in-context information might be an emergent consequence of large-scale training on language, which has sparse rule-like structure. Using controlled stimuli, we verify that transformers pretrained on data containing sparse rule-like structure exhibit more rule-based generalization.

While pre-trained language models (PLMs) are the go-to solution to tackle many natural language processing problems, they are still very limited in their ability to capture and to use common-sense knowledge. In fact, even if information is available in the form of approximate (soft) logical rules, it is not clear how to transfer it to a PLM in order to improve its performance for deductive reasoning tasks. Here, we aim to bridge this gap by teaching PLMs how to reason with soft Horn rules. We introduce a classification task where, given facts and soft rules, the PLM should return a prediction with a probability for a given hypothesis. We release the first dataset for this task, and we propose a revised loss function that enables the PLM to learn how to predict precise probabilities for the task. Our evaluation results show that the resulting fine-tuned models achieve very high performance, even on logical rules that were unseen at training. Moreover, we demonstrate that logical notions expressed by the rules are transferred to the fine-tuned model, yielding state-of-the-art results on external datasets.

Mixture models arise in many regression problems, but most methods have seen limited adoption partly due to these algorithms' highly-tailored and model-specific nature. On the other hand, transformers are flexible, neural sequence models that present the intriguing possibility of providing general-purpose prediction methods, even in this mixture setting. In this work, we investigate the hypothesis that transformers can learn an optimal predictor for mixtures of regressions. We construct a generative process for a mixture of linear regressions for which the decision-theoretic optimal procedure is given by data-driven exponential weights on a finite set of parameters. We observe that transformers achieve low mean-squared error on data generated via this process. By probing the transformer's output at inference time, we also show that transformers typically make predictions that are close to the optimal predictor. Our experiments also demonstrate that transformers can learn mixtures of regressions in a sample-efficient fashion and are somewhat robust to distribution shifts. We complement our experimental observations by proving constructively that the decision-theoretic optimal procedure is indeed implementable by a transformer.

This paper studies the problem of training a two-layer ReLU network for binary classification using gradient flow with small initialization. We consider a training dataset with well-separated input vectors: Any pair of input data with the same label are positively correlated, and any pair with different labels are negatively correlated. Our analysis shows that, during the early phase of training, neurons in the first layer try to align with either the positive data or the negative data, depending on its corresponding weight on the second layer. A careful analysis of the neurons' directional dynamics allows us to provide an O(log n{mu}) upper bound on the time it takes for all neurons to achieve good alignment with the input data, where n is the number of data points and mu measures how well the data are separated. After the early alignment phase, the loss converges to zero at a O(1{t}) rate, and the weight matrix on the first layer is approximately low-rank. Numerical experiments on the MNIST dataset illustrate our theoretical findings.

We propose a novel approach to conformal prediction for generative language models (LMs). Standard conformal prediction produces prediction sets -- in place of single predictions -- that have rigorous, statistical performance guarantees. LM responses are typically sampled from the model's predicted distribution over the large, combinatorial output space of natural language. Translating this process to conformal prediction, we calibrate a stopping rule for sampling different outputs from the LM that get added to a growing set of candidates until we are confident that the output set is sufficient. Since some samples may be low-quality, we also simultaneously calibrate and apply a rejection rule for removing candidates from the output set to reduce noise. Similar to conformal prediction, we prove that the sampled set returned by our procedure contains at least one acceptable answer with high probability, while still being empirically precise (i.e., small) on average. Furthermore, within this set of candidate responses, we show that we can also accurately identify subsets of individual components -- such as phrases or sentences -- that are each independently correct (e.g., that are not "hallucinations"), again with statistical guarantees. We demonstrate the promise of our approach on multiple tasks in open-domain question answering, text summarization, and radiology report generation using different LM variants.

Machine learning for time-series forecasting remains a key area of research. Despite successful application of many machine learning techniques, relating computational efficiency to forecast error remains an under-explored domain. This paper addresses this topic through a series of real-time experiments to quantify the relationship between computational cost and forecast error using meteorological nowcasting as an example use-case. We employ a variety of popular regression techniques (XGBoost, FC-MLP, Transformer, and LSTM) for multi-horizon, short-term forecasting of three variables (temperature, wind speed, and cloud cover) for multiple locations. During a 5-day live experiment, 4000 data sources were streamed for training and inferencing 144 models per hour. These models were parameterized to explore forecast error for two computational cost minimization methods: a novel auto-adaptive data reduction technique (Variance Horizon) and a performance-based concept drift-detection mechanism. Forecast error of all model variations were benchmarked in real-time against a state-of-the-art numerical weather prediction model. Performance was assessed using classical and novel evaluation metrics. Results indicate that using the Variance Horizon reduced computational usage by more than 50\%, while increasing between 0-15\% in error. Meanwhile, performance-based retraining reduced computational usage by up to 90\% while also improving forecast error by up to 10\%. Finally, the combination of both the Variance Horizon and performance-based retraining outperformed other model configurations by up to 99.7\% when considering error normalized to computational usage.

The 2021 NeurIPS Machine Learning for Combinatorial Optimization (ML4CO) competition was designed with the goal of improving state-of-the-art combinatorial optimization solvers by replacing key heuristic components with machine learning models. The competition's main scientific question was the following: is machine learning a viable option for improving traditional combinatorial optimization solvers on specific problem distributions, when historical data is available? This was motivated by the fact that in many practical scenarios, the data changes only slightly between the repetitions of a combinatorial optimization problem, and this is an area where machine learning models are particularly powerful at. This paper summarizes the solution and lessons learned by the Huawei EI-OROAS team in the dual task of the competition. The submission of our team achieved the second place in the final ranking, with a very close distance to the first spot. In addition, our solution was ranked first consistently for several weekly leaderboard updates before the final evaluation. We provide insights gained from a large number of experiments, and argue that a simple Graph Convolutional Neural Network (GCNNs) can achieve state-of-the-art results if trained and tuned properly.

Information flows by routes inside the network via mechanisms implemented in the model. These routes can be represented as graphs where nodes correspond to token representations and edges to operations inside the network. We automatically build these graphs in a top-down manner, for each prediction leaving only the most important nodes and edges. In contrast to the existing workflows relying on activation patching, we do this through attribution: this allows us to efficiently uncover existing circuits with just a single forward pass. Additionally, the applicability of our method is far beyond patching: we do not need a human to carefully design prediction templates, and we can extract information flow routes for any prediction (not just the ones among the allowed templates). As a result, we can talk about model behavior in general, for specific types of predictions, or different domains. We experiment with Llama 2 and show that the role of some attention heads is overall important, e.g. previous token heads and subword merging heads. Next, we find similarities in Llama 2 behavior when handling tokens of the same part of speech. Finally, we show that some model components can be specialized on domains such as coding or multilingual texts.

A salient characteristic of pre-trained language models (PTLMs) is a remarkable improvement in their generalization capability and emergence of new capabilities with increasing model capacity and pre-training dataset size. Consequently, we are witnessing the development of enormous models pushing the state-of-the-art. It is, however, imperative to realize that this inevitably leads to prohibitively long training times, extortionate computing costs, and a detrimental environmental impact. Significant efforts are underway to make PTLM training more efficient through innovations in model architectures, training pipelines, and loss function design, with scant attention being paid to optimizing the utility of training data. The key question that we ask is whether it is possible to train PTLMs by employing only highly informative subsets of the training data while maintaining downstream performance? Building upon the recent progress in informative data subset selection, we show how we can employ submodular optimization to select highly representative subsets of the training corpora and demonstrate that the proposed framework can be applied to efficiently train multiple PTLMs (BERT, BioBERT, GPT-2) using only a fraction of data. Further, we perform a rigorous empirical evaluation to show that the resulting models achieve up to sim99% of the performance of the fully-trained models. We made our framework publicly available at https://github.com/Efficient-AI/ingenious.

Evaluating neural network performance is critical to deep neural network design but a costly procedure. Neural predictors provide an efficient solution by treating architectures as samples and learning to estimate their performance on a given task. However, existing predictors are task-dependent, predominantly estimating neural network performance on image classification benchmarks. They are also search-space dependent; each predictor is designed to make predictions for a specific architecture search space with predefined topologies and set of operations. In this paper, we propose a novel All-in-One Predictor (AIO-P), which aims to pretrain neural predictors on architecture examples from multiple, separate computer vision (CV) task domains and multiple architecture spaces, and then transfer to unseen downstream CV tasks or neural architectures. We describe our proposed techniques for general graph representation, efficient predictor pretraining and knowledge infusion techniques, as well as methods to transfer to downstream tasks/spaces. Extensive experimental results show that AIO-P can achieve Mean Absolute Error (MAE) and Spearman's Rank Correlation (SRCC) below 1% and above 0.5, respectively, on a breadth of target downstream CV tasks with or without fine-tuning, outperforming a number of baselines. Moreover, AIO-P can directly transfer to new architectures not seen during training, accurately rank them and serve as an effective performance estimator when paired with an algorithm designed to preserve performance while reducing FLOPs.

We create a reusable Transformer, BrainBERT, for intracranial recordings bringing modern representation learning approaches to neuroscience. Much like in NLP and speech recognition, this Transformer enables classifying complex concepts, i.e., decoding neural data, with higher accuracy and with much less data by being pretrained in an unsupervised manner on a large corpus of unannotated neural recordings. Our approach generalizes to new subjects with electrodes in new positions and to unrelated tasks showing that the representations robustly disentangle the neural signal. Just like in NLP where one can study language by investigating what a language model learns, this approach opens the door to investigating the brain by what a model of the brain learns. As a first step along this path, we demonstrate a new analysis of the intrinsic dimensionality of the computations in different areas of the brain. To construct these representations, we combine a technique for producing super-resolution spectrograms of neural data with an approach designed for generating contextual representations of audio by masking. In the future, far more concepts will be decodable from neural recordings by using representation learning, potentially unlocking the brain like language models unlocked language.

We aim to evaluate the efficacy of traditional machine learning and large language models (LLMs) in classifying anxiety and depression from long conversational transcripts. We fine-tune both established transformer models (BERT, RoBERTa, Longformer) and more recent large models (Mistral-7B), trained a Support Vector Machine with feature engineering, and assessed GPT models through prompting. We observe that state-of-the-art models fail to enhance classification outcomes compared to traditional machine learning methods.

Neural networks are powerful and flexible models that work well for many difficult learning tasks in image, speech and natural language understanding. Despite their success, neural networks are still hard to design. In this paper, we use a recurrent network to generate the model descriptions of neural networks and train this RNN with reinforcement learning to maximize the expected accuracy of the generated architectures on a validation set. On the CIFAR-10 dataset, our method, starting from scratch, can design a novel network architecture that rivals the best human-invented architecture in terms of test set accuracy. Our CIFAR-10 model achieves a test error rate of 3.65, which is 0.09 percent better and 1.05x faster than the previous state-of-the-art model that used a similar architectural scheme. On the Penn Treebank dataset, our model can compose a novel recurrent cell that outperforms the widely-used LSTM cell, and other state-of-the-art baselines. Our cell achieves a test set perplexity of 62.4 on the Penn Treebank, which is 3.6 perplexity better than the previous state-of-the-art model. The cell can also be transferred to the character language modeling task on PTB and achieves a state-of-the-art perplexity of 1.214.

The problem of automatically generating a computer program from some specification has been studied since the early days of AI. Recently, two competing approaches for automatic program learning have received significant attention: (1) neural program synthesis, where a neural network is conditioned on input/output (I/O) examples and learns to generate a program, and (2) neural program induction, where a neural network generates new outputs directly using a latent program representation. Here, for the first time, we directly compare both approaches on a large-scale, real-world learning task. We additionally contrast to rule-based program synthesis, which uses hand-crafted semantics to guide the program generation. Our neural models use a modified attention RNN to allow encoding of variable-sized sets of I/O pairs. Our best synthesis model achieves 92% accuracy on a real-world test set, compared to the 34% accuracy of the previous best neural synthesis approach. The synthesis model also outperforms a comparable induction model on this task, but we more importantly demonstrate that the strength of each approach is highly dependent on the evaluation metric and end-user application. Finally, we show that we can train our neural models to remain very robust to the type of noise expected in real-world data (e.g., typos), while a highly-engineered rule-based system fails entirely.

We explore the properties of byte-level recurrent language models. When given sufficient amounts of capacity, training data, and compute time, the representations learned by these models include disentangled features corresponding to high-level concepts. Specifically, we find a single unit which performs sentiment analysis. These representations, learned in an unsupervised manner, achieve state of the art on the binary subset of the Stanford Sentiment Treebank. They are also very data efficient. When using only a handful of labeled examples, our approach matches the performance of strong baselines trained on full datasets. We also demonstrate the sentiment unit has a direct influence on the generative process of the model. Simply fixing its value to be positive or negative generates samples with the corresponding positive or negative sentiment.

Large language models (LLMs) with hundreds of billions of parameters have sparked a new wave of exciting AI applications. However, they are computationally expensive at inference time. Sparsity is a natural approach to reduce this cost, but existing methods either require costly retraining, have to forgo LLM's in-context learning ability, or do not yield wall-clock time speedup on modern hardware. We hypothesize that contextual sparsity, which are small, input-dependent sets of attention heads and MLP parameters that yield approximately the same output as the dense model for a given input, can address these issues. We show that contextual sparsity exists, that it can be accurately predicted, and that we can exploit it to speed up LLM inference in wall-clock time without compromising LLM's quality or in-context learning ability. Based on these insights, we propose DejaVu, a system that uses a low-cost algorithm to predict contextual sparsity on the fly given inputs to each layer, along with an asynchronous and hardware-aware implementation that speeds up LLM inference. We validate that DejaVu can reduce the inference latency of OPT-175B by over 2X compared to the state-of-the-art FasterTransformer, and over 6X compared to the widely used Hugging Face implementation, without compromising model quality. The code is available at https://github.com/FMInference/DejaVu.

Recent advances in Multimodal Large Language Models (MLLMs) have shown remarkable capabilities in understanding both images and 3D data, yet these modalities face inherent limitations in comprehensively representing object geometry and appearance. Neural Radiance Fields (NeRFs) have emerged as a promising alternative, encoding both geometric and photorealistic properties within the weights of a simple Multi-Layer Perceptron (MLP). This work investigates the feasibility and effectiveness of ingesting NeRFs into an MLLM. We introduce LLaNA, the first MLLM able to perform new tasks such as NeRF captioning and Q\&A, by directly processing the weights of a NeRF's MLP. Notably, LLaNA is able to extract information about the represented objects without the need to render images or materialize 3D data structures. In addition, we build the first large-scale NeRF-language dataset, composed by more than 300K NeRFs trained on ShapeNet and Objaverse, with paired textual annotations that enable various NeRF-language tasks. Based on this dataset, we develop a benchmark to evaluate the NeRF understanding capability of our method. Results show that directly processing NeRF weights leads to better performance on NeRF-Language tasks compared to approaches that rely on either 2D or 3D representations derived from NeRFs.

Augmenting a language model (LM) with k-nearest neighbors (kNN) retrieval on its training data alone can decrease its perplexity, though the underlying reasons for this remains elusive. In this work, we first rule out one previously posited possibility -- the "softmax bottleneck." We further identify the MLP hurdle phenomenon, where the final MLP layer in LMs may impede LM optimization early on. We explore memorization and generalization in language models with two new datasets, where advanced model like GPT-3.5-turbo find generalizing to irrelevant information in the training data challenging. However, incorporating kNN retrieval to vanilla GPT-2 117M can consistently improve performance in this setting.

In recent years, transformer-based models have gained prominence in multivariate long-term time series forecasting (LTSF), demonstrating significant advancements despite facing challenges such as high computational demands, difficulty in capturing temporal dynamics, and managing long-term dependencies. The emergence of LTSF-Linear, with its straightforward linear architecture, has notably outperformed transformer-based counterparts, prompting a reevaluation of the transformer's utility in time series forecasting. In response, this paper presents an adaptation of a recent architecture termed extended LSTM (xLSTM) for LTSF. xLSTM incorporates exponential gating and a revised memory structure with higher capacity that has good potential for LTSF. Our adopted architecture for LTSF termed as xLSTMTime surpasses current approaches. We compare xLSTMTime's performance against various state-of-the-art models across multiple real-world da-tasets, demonstrating superior forecasting capabilities. Our findings suggest that refined recurrent architectures can offer competitive alternatives to transformer-based models in LTSF tasks, po-tentially redefining the landscape of time series forecasting.

Competitions play an invaluable role in the field of forecasting, as exemplified through the recent M4 competition. The competition received attention from both academics and practitioners and sparked discussions around the representativeness of the data for business forecasting. Several competitions featuring real-life business forecasting tasks on the Kaggle platform has, however, been largely ignored by the academic community. We believe the learnings from these competitions have much to offer to the forecasting community and provide a review of the results from six Kaggle competitions. We find that most of the Kaggle datasets are characterized by higher intermittence and entropy than the M-competitions and that global ensemble models tend to outperform local single models. Furthermore, we find the strong performance of gradient boosted decision trees, increasing success of neural networks for forecasting, and a variety of techniques for adapting machine learning models to the forecasting task.

Large language models (LLMs) contain substantial factual knowledge which is commonly elicited by multiple-choice question-answering prompts. Internally, such models process the prompt through multiple transformer layers, building varying representations of the problem within its hidden states. Ultimately, however, only the hidden state corresponding to the final layer and token position are used to predict the answer label. In this work, we propose instead to learn a small separate neural network predictor module on a collection of training questions, that take the hidden states from all the layers at the last temporal position as input and outputs predictions. In effect, such a framework disentangles the representational abilities of LLMs from their predictive abilities. On a collection of hard benchmarks, our method achieves considerable improvements in performance, sometimes comparable to supervised fine-tuning procedures, but at a fraction of the computational cost.

Prototypical part network (ProtoPNet) methods have been designed to achieve interpretable classification by associating predictions with a set of training prototypes, which we refer to as trivial prototypes because they are trained to lie far from the classification boundary in the feature space. Note that it is possible to make an analogy between ProtoPNet and support vector machine (SVM) given that the classification from both methods relies on computing similarity with a set of training points (i.e., trivial prototypes in ProtoPNet, and support vectors in SVM). However, while trivial prototypes are located far from the classification boundary, support vectors are located close to this boundary, and we argue that this discrepancy with the well-established SVM theory can result in ProtoPNet models with inferior classification accuracy. In this paper, we aim to improve the classification of ProtoPNet with a new method to learn support prototypes that lie near the classification boundary in the feature space, as suggested by the SVM theory. In addition, we target the improvement of classification results with a new model, named ST-ProtoPNet, which exploits our support prototypes and the trivial prototypes to provide more effective classification. Experimental results on CUB-200-2011, Stanford Cars, and Stanford Dogs datasets demonstrate that ST-ProtoPNet achieves state-of-the-art classification accuracy and interpretability results. We also show that the proposed support prototypes tend to be better localised in the object of interest rather than in the background region.

Neural network-based generative language models like ELMo and BERT can work effectively as general purpose sentence encoders in text classification without further fine-tuning. Is it possible to adapt them in a similar way for use as general-purpose decoders? For this to be possible, it would need to be the case that for any target sentence of interest, there is some continuous representation that can be passed to the language model to cause it to reproduce that sentence. We set aside the difficult problem of designing an encoder that can produce such representations and, instead, ask directly whether such representations exist at all. To do this, we introduce a pair of effective, complementary methods for feeding representations into pretrained unconditional language models and a corresponding set of methods to map sentences into and out of this representation space, the reparametrized sentence space. We then investigate the conditions under which a language model can be made to generate a sentence through the identification of a point in such a space and find that it is possible to recover arbitrary sentences nearly perfectly with language models and representations of moderate size without modifying any model parameters.

In this research, we study the change in the performance of machine learning (ML) classifiers when various linguistic preprocessing methods of a dataset were used, with the specific focus on linguistically-backed embeddings in Convolutional Neural Networks (CNN). Moreover, we study the concept of Feature Density and confirm its potential to comparatively predict the performance of ML classifiers, including CNN. The research was conducted on a Formspring dataset provided in a Kaggle competition on automatic cyberbullying detection. The dataset was re-annotated by objective experts (psychologists), as the importance of professional annotation in cyberbullying research has been indicated multiple times. The study confirmed the effectiveness of Neural Networks in cyberbullying detection and the correlation between classifier performance and Feature Density while also proposing a new approach of training various linguistically-backed embeddings for Convolutional Neural Networks.

In this paper, we introduce the gated perceptron, an enhancement of the conventional perceptron, which incorporates an additional input computed as the product of the existing inputs. This allows the perceptron to capture non-linear interactions between features, significantly improving its ability to classify and regress on complex datasets. We explore its application in both linear and non-linear regression tasks using the Iris dataset, as well as binary and multi-class classification problems, including the PIMA Indian dataset and Breast Cancer Wisconsin dataset. Our results demonstrate that the gated perceptron can generate more distinct decision regions compared to traditional perceptrons, enhancing its classification capabilities, particularly in handling non-linear data. Performance comparisons show that the gated perceptron competes with state-of-the-art classifiers while maintaining a simple architecture.

Model extraction is a growing concern for the security of AI systems. For deep neural network models, the architecture is the most important information an adversary aims to recover. Being a sequence of repeated computation blocks, neural network models deployed on edge-devices will generate distinctive side-channel leakages. The latter can be exploited to extract critical information when targeted platforms are physically accessible. By combining theoretical knowledge about deep learning practices and analysis of a widespread implementation library (ARM CMSIS-NN), our purpose is to answer this critical question: how far can we extract architecture information by simply examining an EM side-channel trace? For the first time, we propose an extraction methodology for traditional MLP and CNN models running on a high-end 32-bit microcontroller (Cortex-M7) that relies only on simple pattern recognition analysis. Despite few challenging cases, we claim that, contrary to parameters extraction, the complexity of the attack is relatively low and we highlight the urgent need for practicable protections that could fit the strong memory and latency requirements of such platforms.

Federated Learning (FL) has gained popularity for fine-tuning large language models (LLMs) across multiple nodes, each with its own private data. While LoRA has been widely adopted for parameter efficient federated fine-tuning, recent theoretical and empirical studies highlight its suboptimal performance in the federated learning context. In response, we propose a novel, simple, and more effective parameter-efficient fine-tuning method that does not rely on LoRA. Our approach introduces a small multi-layer perceptron (MLP) layer between two existing MLP layers the up proj (the FFN projection layer following the self-attention module) and down proj within the feed forward network of the transformer block. This solution addresses the bottlenecks associated with LoRA in federated fine tuning and outperforms recent LoRA-based approaches, demonstrating superior performance for both language models and vision encoders.

Understanding a student's problem-solving strategy can have a significant impact on effective math learning using Intelligent Tutoring Systems (ITSs) and Adaptive Instructional Systems (AISs). For instance, the ITS/AIS can better personalize itself to correct specific misconceptions that are indicated by incorrect strategies, specific problems can be designed to improve strategies and frustration can be minimized by adapting to a student's natural way of thinking rather than trying to fit a standard strategy for all. While it may be possible for human experts to identify strategies manually in classroom settings with sufficient student interaction, it is not possible to scale this up to big data. Therefore, we leverage advances in Machine Learning and AI methods to perform scalable strategy prediction that is also fair to students at all skill levels. Specifically, we develop an embedding called MVec where we learn a representation based on the mastery of students. We then cluster these embeddings with a non-parametric clustering method where we progressively learn clusters such that we group together instances that have approximately symmetrical strategies. The strategy prediction model is trained on instances sampled from these clusters. This ensures that we train the model over diverse strategies and also that strategies from a particular group do not bias the DNN model, thus allowing it to optimize its parameters over all groups. Using real world large-scale student interaction datasets from MATHia, we implement our approach using transformers and Node2Vec for learning the mastery embeddings and LSTMs for predicting strategies. We show that our approach can scale up to achieve high accuracy by training on a small sample of a large dataset and also has predictive equality, i.e., it can predict strategies equally well for learners at diverse skill levels.

Machine learning models, such as neural networks, decision trees, random forests, and gradient boosting machines, accept a feature vector, and provide a prediction. These models learn in a supervised fashion where we provide feature vectors mapped to the expected output. It is common practice to engineer new features from the provided feature set. Such engineered features will either augment or replace portions of the existing feature vector. These engineered features are essentially calculated fields based on the values of the other features. Engineering such features is primarily a manual, time-consuming task. Additionally, each type of model will respond differently to different kinds of engineered features. This paper reports empirical research to demonstrate what kinds of engineered features are best suited to various machine learning model types. We provide this recommendation by generating several datasets that we designed to benefit from a particular type of engineered feature. The experiment demonstrates to what degree the machine learning model can synthesize the needed feature on its own. If a model can synthesize a planned feature, it is not necessary to provide that feature. The research demonstrated that the studied models do indeed perform differently with various types of engineered features.

Prior-data fitted networks (PFNs) were recently proposed as a new paradigm for machine learning. Instead of training the network to an observed training set, a fixed model is pre-trained offline on small, simulated training sets from a variety of tasks. The pre-trained model is then used to infer class probabilities in-context on fresh training sets with arbitrary size and distribution. Empirically, PFNs achieve state-of-the-art performance on tasks with similar size to the ones used in pre-training. Surprisingly, their accuracy further improves when passed larger data sets during inference. This article establishes a theoretical foundation for PFNs and illuminates the statistical mechanisms governing their behavior. While PFNs are motivated by Bayesian ideas, a purely frequentistic interpretation of PFNs as pre-tuned, but untrained predictors explains their behavior. A predictor's variance vanishes if its sensitivity to individual training samples does and the bias vanishes only if it is appropriately localized around the test feature. The transformer architecture used in current PFN implementations ensures only the former. These findings shall prove useful for designing architectures with favorable empirical behavior.

The inference demand for LLMs has skyrocketed in recent months, and serving models with low latencies remains challenging due to the quadratic input length complexity of the attention layers. In this work, we investigate the effect of dropping MLP and attention layers at inference time on the performance of Llama-v2 models. We find that dropping dreeper attention layers only marginally decreases performance but leads to the best speedups alongside dropping entire layers. For example, removing 33\% of attention layers in a 13B Llama2 model results in a 1.8\% drop in average performance over the OpenLLM benchmark. We also observe that skipping layers except the latter layers reduces performances for more layers skipped, except for skipping the attention layers.

While neural networks are used for classification tasks across domains, a long-standing open problem in machine learning is determining whether neural networks trained using standard procedures are optimal for classification, i.e., whether such models minimize the probability of misclassification for arbitrary data distributions. In this work, we identify and construct an explicit set of neural network classifiers that achieve optimality. Since effective neural networks in practice are typically both wide and deep, we analyze infinitely wide networks that are also infinitely deep. In particular, using the recent connection between infinitely wide neural networks and Neural Tangent Kernels, we provide explicit activation functions that can be used to construct networks that achieve optimality. Interestingly, these activation functions are simple and easy to implement, yet differ from commonly used activations such as ReLU or sigmoid. More generally, we create a taxonomy of infinitely wide and deep networks and show that these models implement one of three well-known classifiers depending on the activation function used: (1) 1-nearest neighbor (model predictions are given by the label of the nearest training example); (2) majority vote (model predictions are given by the label of the class with greatest representation in the training set); or (3) singular kernel classifiers (a set of classifiers containing those that achieve optimality). Our results highlight the benefit of using deep networks for classification tasks, in contrast to regression tasks, where excessive depth is harmful.

Attention-based architectures have become ubiquitous in machine learning, yet our understanding of the reasons for their effectiveness remains limited. This work proposes a new way to understand self-attention networks: we show that their output can be decomposed into a sum of smaller terms, each involving the operation of a sequence of attention heads across layers. Using this decomposition, we prove that self-attention possesses a strong inductive bias towards "token uniformity". Specifically, without skip connections or multi-layer perceptrons (MLPs), the output converges doubly exponentially to a rank-1 matrix. On the other hand, skip connections and MLPs stop the output from degeneration. Our experiments verify the identified convergence phenomena on different variants of standard transformer architectures.

Over the past few years, neural networks have re-emerged as powerful machine-learning models, yielding state-of-the-art results in fields such as image recognition and speech processing. More recently, neural network models started to be applied also to textual natural language signals, again with very promising results. This tutorial surveys neural network models from the perspective of natural language processing research, in an attempt to bring natural-language researchers up to speed with the neural techniques. The tutorial covers input encoding for natural language tasks, feed-forward networks, convolutional networks, recurrent networks and recursive networks, as well as the computation graph abstraction for automatic gradient computation.

Mathematical reasoning in large language models (LMs) has garnered significant attention in recent work, but there is a limited understanding of how these models process and store information related to arithmetic tasks within their architecture. In order to improve our understanding of this aspect of language models, we present a mechanistic interpretation of Transformer-based LMs on arithmetic questions using a causal mediation analysis framework. By intervening on the activations of specific model components and measuring the resulting changes in predicted probabilities, we identify the subset of parameters responsible for specific predictions. This provides insights into how information related to arithmetic is processed by LMs. Our experimental results indicate that LMs process the input by transmitting the information relevant to the query from mid-sequence early layers to the final token using the attention mechanism. Then, this information is processed by a set of MLP modules, which generate result-related information that is incorporated into the residual stream. To assess the specificity of the observed activation dynamics, we compare the effects of different model components on arithmetic queries with other tasks, including number retrieval from prompts and factual knowledge questions.

This paper presents a novel technique based on gradient boosting to train the final layers of a neural network (NN). Gradient boosting is an additive expansion algorithm in which a series of models are trained sequentially to approximate a given function. A neural network can also be seen as an additive expansion where the scalar product of the responses of the last hidden layer and its weights provide the final output of the network. Instead of training the network as a whole, the proposed algorithm trains the network sequentially in T steps. First, the bias term of the network is initialized with a constant approximation that minimizes the average loss of the data. Then, at each step, a portion of the network, composed of J neurons, is trained to approximate the pseudo-residuals on the training data computed from the previous iterations. Finally, the T partial models and bias are integrated as a single NN with T times J neurons in the hidden layer. Extensive experiments in classification and regression tasks, as well as in combination with deep neural networks, are carried out showing a competitive generalization performance with respect to neural networks trained with different standard solvers, such as Adam, L-BFGS, SGD and deep models. Furthermore, we show that the proposed method design permits to switch off a number of hidden units during test (the units that were last trained) without a significant reduction of its generalization ability. This permits the adaptation of the model to different classification speed requirements on the fly.

These handouts are designed for people who is just starting involved with the topic artificial neural networks. We show how it works a single artificial neuron (McCulloch & Pitt model), mathematically and graphically. We do explain the delta rule, a learning algorithm to find the neuron weights. We also present some examples in MATLAB/Octave. There are examples for classification task for lineal and non-lineal problems. At the end, we present an artificial neural network, a feed-forward neural network along its learning algorithm backpropagation. ----- Estos apuntes est\'an dise\~nados para personas que por primera vez se introducen en el tema de las redes neuronales artificiales. Se muestra el funcionamiento b\'asico de una neurona, matem\'aticamente y gr\'aficamente. Se explica la Regla Delta, algoritmo deaprendizaje para encontrar los pesos de una neurona. Tambi\'en se muestran ejemplos en MATLAB/Octave. Hay ejemplos para problemas de clasificaci\'on, para problemas lineales y no-lineales. En la parte final se muestra la arquitectura de red neuronal artificial conocida como backpropagation.

Fully test-time adaptation aims to adapt the network model based on sequential analysis of input samples during the inference stage to address the cross-domain performance degradation problem of deep neural networks. We take inspiration from the biological plausibility learning where the neuron responses are tuned based on a local synapse-change procedure and activated by competitive lateral inhibition rules. Based on these feed-forward learning rules, we design a soft Hebbian learning process which provides an unsupervised and effective mechanism for online adaptation. We observe that the performance of this feed-forward Hebbian learning for fully test-time adaptation can be significantly improved by incorporating a feedback neuro-modulation layer. It is able to fine-tune the neuron responses based on the external feedback generated by the error back-propagation from the top inference layers. This leads to our proposed neuro-modulated Hebbian learning (NHL) method for fully test-time adaptation. With the unsupervised feed-forward soft Hebbian learning being combined with a learned neuro-modulator to capture feedback from external responses, the source model can be effectively adapted during the testing process. Experimental results on benchmark datasets demonstrate that our proposed method can significantly improve the adaptation performance of network models and outperforms existing state-of-the-art methods.

In this paper we introduce a novel, unified, open-source model interpretability library for PyTorch [12]. The library contains generic implementations of a number of gradient and perturbation-based attribution algorithms, also known as feature, neuron and layer importance algorithms, as well as a set of evaluation metrics for these algorithms. It can be used for both classification and non-classification models including graph-structured models built on Neural Networks (NN). In this paper we give a high-level overview of supported attribution algorithms and show how to perform memory-efficient and scalable computations. We emphasize that the three main characteristics of the library are multimodality, extensibility and ease of use. Multimodality supports different modality of inputs such as image, text, audio or video. Extensibility allows adding new algorithms and features. The library is also designed for easy understanding and use. Besides, we also introduce an interactive visualization tool called Captum Insights that is built on top of Captum library and allows sample-based model debugging and visualization using feature importance metrics.

Low-Rank Adaptation (LoRA) is a widely used finetuning method for large models. Its small memory footprint allows practitioners to adapt large models to specific tasks at a fraction of the cost of full finetuning. Different modifications have been proposed to enhance its efficiency by, for example, setting the learning rate, the rank, and the initialization. Another improvement axis is adapter placement strategy: when using LoRA, practitioners usually pick module types to adapt with LoRA, such as Query and Key modules. Few works have studied the problem of adapter placement, with nonconclusive results: original LoRA paper suggested placing adapters in attention modules, while other works suggested placing them in the MLP modules. Through an intuitive theoretical analysis, we introduce PLoP (Precise LoRA Placement), a lightweight method that allows automatic identification of module types where LoRA adapters should be placed, given a pretrained model and a finetuning task. We demonstrate that PLoP consistently outperforms, and in the worst case competes, with commonly used placement strategies through comprehensive experiments on supervised finetuning and reinforcement learning for reasoning.

Robust generalization is a major challenge in deep learning, particularly when the number of trainable parameters is very large. In general, it is very difficult to know if the network has memorized a particular set of examples or understood the underlying rule (or both). Motivated by this challenge, we study an interpretable model where generalizing representations are understood analytically, and are easily distinguishable from the memorizing ones. Namely, we consider multi-layer perceptron (MLP) and Transformer architectures trained on modular arithmetic tasks, where (xi cdot 100%) of labels are corrupted (i.e. some results of the modular operations in the training set are incorrect). We show that (i) it is possible for the network to memorize the corrupted labels and achieve 100% generalization at the same time; (ii) the memorizing neurons can be identified and pruned, lowering the accuracy on corrupted data and improving the accuracy on uncorrupted data; (iii) regularization methods such as weight decay, dropout and BatchNorm force the network to ignore the corrupted data during optimization, and achieve 100% accuracy on the uncorrupted dataset; and (iv) the effect of these regularization methods is (``mechanistically'') interpretable: weight decay and dropout force all the neurons to learn generalizing representations, while BatchNorm de-amplifies the output of memorizing neurons and amplifies the output of the generalizing ones. Finally, we show that in the presence of regularization, the training dynamics involves two consecutive stages: first, the network undergoes grokking dynamics reaching high train and test accuracy; second, it unlearns the memorizing representations, where the train accuracy suddenly jumps from 100% to 100 (1-xi)%.

Large Language Models (LLMs) frequently suffer from inefficiencies, largely attributable to the discord between the requirements of auto-regressive decoding and the architecture of contemporary GPUs. Recently, regressive lightweight speculative decoding has garnered attention for its notable efficiency improvements in text generation tasks. This approach utilizes a lightweight regressive draft model, like a Recurrent Neural Network (RNN) or a single transformer decoder layer, leveraging sequential information to iteratively predict potential tokens. Specifically, RNN draft models are computationally economical but tend to deliver lower accuracy, while attention decoder layer models exhibit the opposite traits. This paper presents Clover-2, an advanced iteration of Clover, an RNN-based draft model designed to achieve comparable accuracy to that of attention decoder layer models while maintaining minimal computational overhead. Clover-2 enhances the model architecture and incorporates knowledge distillation to increase Clover's accuracy and improve overall efficiency. We conducted experiments using the open-source Vicuna 7B and LLaMA3-Instruct 8B models. The results demonstrate that Clover-2 surpasses existing methods across various model architectures, showcasing its efficacy and robustness.

Classification is a core task in machine learning. Recent research has shown that although Multimodal Large Language Models (MLLMs) are initially poor at image classification, fine-tuning them with an adequate amount of data can significantly enhance their performance, making them comparable to SOTA classification models. However, acquiring large-scale labeled data is expensive. In this paper, we explore few-shot MLLM classification fine-tuning. We found that SFT can cause severe overfitting issues and may even degrade performance over the zero-shot approach. To address this challenge, inspired by the recent successes in rule-based reinforcement learning, we propose CLS-RL, which uses verifiable signals as reward to fine-tune MLLMs. We discovered that CLS-RL outperforms SFT in most datasets and has a much higher average accuracy on both base-to-new and few-shot learning setting. Moreover, we observed a free-lunch phenomenon for CLS-RL; when models are fine-tuned on a particular dataset, their performance on other distinct datasets may also improve over zero-shot models, even if those datasets differ in distribution and class names. This suggests that RL-based methods effectively teach models the fundamentals of classification. Lastly, inspired by recent works in inference time thinking, we re-examine the `thinking process' during fine-tuning, a critical aspect of RL-based methods, in the context of visual classification. We question whether such tasks require extensive thinking process during fine-tuning, proposing that this may actually detract from performance. Based on this premise, we introduce the No-Thinking-CLS-RL method, which minimizes thinking processes during training by setting an equality accuracy reward. Our findings indicate that, with much less fine-tuning time, No-Thinking-CLS-RL method achieves superior in-domain performance and generalization capabilities than CLS-RL.

In recent computer vision research, the advent of the Vision Transformer (ViT) has rapidly revolutionized various architectural design efforts: ViT achieved state-of-the-art image classification performance using self-attention found in natural language processing, and MLP-Mixer achieved competitive performance using simple multi-layer perceptrons. In contrast, several studies have also suggested that carefully redesigned convolutional neural networks (CNNs) can achieve advanced performance comparable to ViT without resorting to these new ideas. Against this background, there is growing interest in what inductive bias is suitable for computer vision. Here we propose Sequencer, a novel and competitive architecture alternative to ViT that provides a new perspective on these issues. Unlike ViTs, Sequencer models long-range dependencies using LSTMs rather than self-attention layers. We also propose a two-dimensional version of Sequencer module, where an LSTM is decomposed into vertical and horizontal LSTMs to enhance performance. Despite its simplicity, several experiments demonstrate that Sequencer performs impressively well: Sequencer2D-L, with 54M parameters, realizes 84.6% top-1 accuracy on only ImageNet-1K. Not only that, we show that it has good transferability and the robust resolution adaptability on double resolution-band.

Predicting simple function classes has been widely used as a testbed for developing theory and understanding of the trained Transformer's in-context learning (ICL) ability. In this paper, we revisit the training of Transformers on linear regression tasks, and different from all the existing literature, we consider a bi-objective prediction task of predicting both the conditional expectation E[Y|X] and the conditional variance Var(Y|X). This additional uncertainty quantification objective provides a handle to (i) better design out-of-distribution experiments to distinguish ICL from in-weight learning (IWL) and (ii) make a better separation between the algorithms with and without using the prior information of the training distribution. Theoretically, we show that the trained Transformer reaches near Bayes-optimum, suggesting the usage of the information of the training distribution. Our method can be extended to other cases. Specifically, with the Transformer's context window S, we prove a generalization bound of mathcal{O}(min{S, T/(n T)}) on n tasks with sequences of length T, providing sharper analysis compared to previous results of mathcal{O}(1/n). Empirically, we illustrate that while the trained Transformer behaves as the Bayes-optimal solution as a natural consequence of supervised training in distribution, it does not necessarily perform a Bayesian inference when facing task shifts, in contrast to the equivalence between these two proposed in many existing literature. We also demonstrate the trained Transformer's ICL ability over covariates shift and prompt-length shift and interpret them as a generalization over a meta distribution.

We investigate the capabilities of transformer large language models (LLMs) on relational reasoning tasks involving abstract symbols. Such tasks have long been studied in the neuroscience literature as fundamental building blocks for more complex abilities in programming, mathematics, and verbal reasoning. For (i) regression tasks, we prove that transformers generalize when trained, but require astonishingly large quantities of training data. For (ii) next-token-prediction tasks with symbolic labels, we show an "inverse scaling law": transformers fail to generalize as their embedding dimension increases. For both settings (i) and (ii), we propose subtle transformer modifications which can reduce the amount of data needed by adding two trainable parameters per head.

Autoregressive Large Language Models have transformed the landscape of Natural Language Processing. Pre-train and prompt paradigm has replaced the conventional approach of pre-training and fine-tuning for many downstream NLP tasks. This shift has been possible largely due to LLMs and innovative prompting techniques. LLMs have shown great promise for a variety of downstream tasks owing to their vast parameters and huge datasets that they are pre-trained on. However, in order to fully realize their potential, their outputs must be guided towards the desired outcomes. Prompting, in which a specific input or instruction is provided to guide the LLMs toward the intended output, has become a tool for achieving this goal. In this paper, we discuss the various prompting techniques that have been applied to fully harness the power of LLMs. We present a taxonomy of existing literature on prompting techniques and provide a concise survey based on this taxonomy. Further, we identify some open problems in the realm of prompting in autoregressive LLMs which could serve as a direction for future research.

Learned representations are a central component in modern ML systems, serving a multitude of downstream tasks. When training such representations, it is often the case that computational and statistical constraints for each downstream task are unknown. In this context rigid, fixed capacity representations can be either over or under-accommodating to the task at hand. This leads us to ask: can we design a flexible representation that can adapt to multiple downstream tasks with varying computational resources? Our main contribution is Matryoshka Representation Learning (MRL) which encodes information at different granularities and allows a single embedding to adapt to the computational constraints of downstream tasks. MRL minimally modifies existing representation learning pipelines and imposes no additional cost during inference and deployment. MRL learns coarse-to-fine representations that are at least as accurate and rich as independently trained low-dimensional representations. The flexibility within the learned Matryoshka Representations offer: (a) up to 14x smaller embedding size for ImageNet-1K classification at the same level of accuracy; (b) up to 14x real-world speed-ups for large-scale retrieval on ImageNet-1K and 4K; and (c) up to 2% accuracy improvements for long-tail few-shot classification, all while being as robust as the original representations. Finally, we show that MRL extends seamlessly to web-scale datasets (ImageNet, JFT) across various modalities -- vision (ViT, ResNet), vision + language (ALIGN) and language (BERT). MRL code and pretrained models are open-sourced at https://github.com/RAIVNLab/MRL.

We introduce TimeMCL, a method leveraging the Multiple Choice Learning (MCL) paradigm to forecast multiple plausible time series futures. Our approach employs a neural network with multiple heads and utilizes the Winner-Takes-All (WTA) loss to promote diversity among predictions. MCL has recently gained attention due to its simplicity and ability to address ill-posed and ambiguous tasks. We propose an adaptation of this framework for time-series forecasting, presenting it as an efficient method to predict diverse futures, which we relate to its implicit quantization objective. We provide insights into our approach using synthetic data and evaluate it on real-world time series, demonstrating its promising performance at a light computational cost.

In this paper, we demonstrated the benefit of using pre-trained model to extract acoustic embedding to jointly predict (multitask learning) three tasks: emotion, age, and native country. The pre-trained model was trained with wav2vec 2.0 large robust model on the speech emotion corpus. The emotion and age tasks were regression problems, while country prediction was a classification task. A single harmonic mean from three metrics was used to evaluate the performance of multitask learning. The classifier was a linear network with two independent layers and shared layers, including the output layers. This study explores multitask learning on different acoustic features (including the acoustic embedding extracted from a model trained on an affective speech dataset), seed numbers, batch sizes, and normalizations for predicting paralinguistic information from speech.

A Neural Process (NP) estimates a stochastic process implicitly defined with neural networks given a stream of data, rather than pre-specifying priors already known, such as Gaussian processes. An ideal NP would learn everything from data without any inductive biases, but in practice, we often restrict the class of stochastic processes for the ease of estimation. One such restriction is the use of a finite-dimensional latent variable accounting for the uncertainty in the functions drawn from NPs. Some recent works show that this can be improved with more "data-driven" source of uncertainty such as bootstrapping. In this work, we take a different approach based on the martingale posterior, a recently developed alternative to Bayesian inference. For the martingale posterior, instead of specifying prior-likelihood pairs, a predictive distribution for future data is specified. Under specific conditions on the predictive distribution, it can be shown that the uncertainty in the generated future data actually corresponds to the uncertainty of the implicitly defined Bayesian posteriors. Based on this result, instead of assuming any form of the latent variables, we equip a NP with a predictive distribution implicitly defined with neural networks and use the corresponding martingale posteriors as the source of uncertainty. The resulting model, which we name as Martingale Posterior Neural Process (MPNP), is demonstrated to outperform baselines on various tasks.

We investigate the problem of determining the predictive confidence (or, conversely, uncertainty) of a neural classifier through the lens of low-resource languages. By training models on sub-sampled datasets in three different languages, we assess the quality of estimates from a wide array of approaches and their dependence on the amount of available data. We find that while approaches based on pre-trained models and ensembles achieve the best results overall, the quality of uncertainty estimates can surprisingly suffer with more data. We also perform a qualitative analysis of uncertainties on sequences, discovering that a model's total uncertainty seems to be influenced to a large degree by its data uncertainty, not model uncertainty. All model implementations are open-sourced in a software package.

Despite rapid adoption and deployment of large language models (LLMs), the internal computations of these models remain opaque and poorly understood. In this work, we seek to understand how high-level human-interpretable features are represented within the internal neuron activations of LLMs. We train k-sparse linear classifiers (probes) on these internal activations to predict the presence of features in the input; by varying the value of k we study the sparsity of learned representations and how this varies with model scale. With k=1, we localize individual neurons which are highly relevant for a particular feature, and perform a number of case studies to illustrate general properties of LLMs. In particular, we show that early layers make use of sparse combinations of neurons to represent many features in superposition, that middle layers have seemingly dedicated neurons to represent higher-level contextual features, and that increasing scale causes representational sparsity to increase on average, but there are multiple types of scaling dynamics. In all, we probe for over 100 unique features comprising 10 different categories in 7 different models spanning 70 million to 6.9 billion parameters.

We investigate the internal structure of language model computations using causal analysis and demonstrate two motifs: (1) a form of adaptive computation where ablations of one attention layer of a language model cause another layer to compensate (which we term the Hydra effect) and (2) a counterbalancing function of late MLP layers that act to downregulate the maximum-likelihood token. Our ablation studies demonstrate that language model layers are typically relatively loosely coupled (ablations to one layer only affect a small number of downstream layers). Surprisingly, these effects occur even in language models trained without any form of dropout. We analyse these effects in the context of factual recall and consider their implications for circuit-level attribution in language models.

While neural networks can be approximated by linear models as their width increases, certain properties of wide neural networks cannot be captured by linear models. In this work we show that recently proposed Neural Quadratic Models can exhibit the "catapult phase" [Lewkowycz et al. 2020] that arises when training such models with large learning rates. We then empirically show that the behaviour of neural quadratic models parallels that of neural networks in generalization, especially in the catapult phase regime. Our analysis further demonstrates that quadratic models can be an effective tool for analysis of neural networks.

Recent advances in Hierarchical Multi-label Classification (HMC), particularly neurosymbolic-based approaches, have demonstrated improved consistency and accuracy by enforcing constraints on a neural model during training. However, such work assumes the existence of such constraints a-priori. In this paper, we relax this strong assumption and present an approach based on Error Detection Rules (EDR) that allow for learning explainable rules about the failure modes of machine learning models. We show that these rules are not only effective in detecting when a machine learning classifier has made an error but also can be leveraged as constraints for HMC, thereby allowing the recovery of explainable constraints even if they are not provided. We show that our approach is effective in detecting machine learning errors and recovering constraints, is noise tolerant, and can function as a source of knowledge for neurosymbolic models on multiple datasets, including a newly introduced military vehicle recognition dataset.

Token-mixing multi-layer perceptron (MLP) models have shown competitive performance in computer vision tasks with a simple architecture and relatively small computational cost. Their success in maintaining computation efficiency is mainly attributed to avoiding the use of self-attention that is often computationally heavy, yet this is at the expense of not being able to mix tokens both globally and locally. In this paper, to exploit both global and local dependencies without self-attention, we present Mix-Shift-MLP (MS-MLP) which makes the size of the local receptive field used for mixing increase with respect to the amount of spatial shifting. In addition to conventional mixing and shifting techniques, MS-MLP mixes both neighboring and distant tokens from fine- to coarse-grained levels and then gathers them via a shifting operation. This directly contributes to the interactions between global and local tokens. Being simple to implement, MS-MLP achieves competitive performance in multiple vision benchmarks. For example, an MS-MLP with 85 million parameters achieves 83.8% top-1 classification accuracy on ImageNet-1K. Moreover, by combining MS-MLP with state-of-the-art Vision Transformers such as the Swin Transformer, we show MS-MLP achieves further improvements on three different model scales, e.g., by 0.5% on ImageNet-1K classification with Swin-B. The code is available at: https://github.com/JegZheng/MS-MLP.

Neural networks (NN) achieve remarkable results in various tasks, but lack key characteristics: interpretability, support for categorical features, and lightweight implementations suitable for edge devices. While ongoing efforts aim to address these challenges, Gradient Boosting Trees (GBT) inherently meet these requirements. As a result, GBTs have become the go-to method for supervised learning tasks in many real-world applications and competitions. However, their application in online learning scenarios, notably in reinforcement learning (RL), has been limited. In this work, we bridge this gap by introducing Gradient-Boosting RL (GBRL), a framework that extends the advantages of GBT to the RL domain. Using the GBRL framework, we implement various actor-critic algorithms and compare their performance with their NN counterparts. Inspired by shared backbones in NN we introduce a tree-sharing approach for policy and value functions with distinct learning rates, enhancing learning efficiency over millions of interactions. GBRL achieves competitive performance across a diverse array of tasks, excelling in domains with structured or categorical features. Additionally, we present a high-performance, GPU-accelerated implementation that integrates seamlessly with widely-used RL libraries (available at https://github.com/NVlabs/gbrl). GBRL expands the toolkit for RL practitioners, demonstrating the viability and promise of GBT within the RL paradigm, particularly in domains characterized by structured or categorical features.

What is the computational model behind a Transformer? Where recurrent neural networks have direct parallels in finite state machines, allowing clear discussion and thought around architecture variants or trained models, Transformers have no such familiar parallel. In this paper we aim to change that, proposing a computational model for the transformer-encoder in the form of a programming language. We map the basic components of a transformer-encoder -- attention and feed-forward computation -- into simple primitives, around which we form a programming language: the Restricted Access Sequence Processing Language (RASP). We show how RASP can be used to program solutions to tasks that could conceivably be learned by a Transformer, and how a Transformer can be trained to mimic a RASP solution. In particular, we provide RASP programs for histograms, sorting, and Dyck-languages. We further use our model to relate their difficulty in terms of the number of required layers and attention heads: analyzing a RASP program implies a maximum number of heads and layers necessary to encode a task in a transformer. Finally, we see how insights gained from our abstraction might be used to explain phenomena seen in recent works.

The performance of Transformer models has been enhanced by increasing the number of parameters and the length of the processed text. Consequently, fine-tuning the entire model becomes a memory-intensive process. High-performance methods for parameter-efficient fine-tuning (PEFT) typically work with Attention blocks and often overlook MLP blocks, which contain about half of the model parameters. We propose a new selective PEFT method, namely SparseGrad, that performs well on MLP blocks. We transfer layer gradients to a space where only about 1\% of the layer's elements remain significant. By converting gradients into a sparse structure, we reduce the number of updated parameters. We apply SparseGrad to fine-tune BERT and RoBERTa for the NLU task and LLaMa-2 for the Question-Answering task. In these experiments, with identical memory requirements, our method outperforms LoRA and MeProp, robust popular state-of-the-art PEFT approaches.

Large language models (LLMs) have demonstrated remarkable abilities in representation learning for program synthesis and understanding tasks. The quality of the learned representations appears to be dictated by the neural scaling laws as a function of the number of model parameters and observations, while imposing upper bounds on the model performance by the amount of available data and compute, which is costly. In this study, we attempt to render the training of LLMs for program synthesis more efficient by unifying four key components: (1) model architectures, (2) learning methods, (3) infill sampling, and, (4) data distributions. Specifically, for the model architecture, we attempt to unify encoder and decoder-based models into a single prefix-LM. For learning methods, (i) causal language modeling, (ii) span corruption, (iii) infilling are unified into a simple learning algorithm. For infill sampling, we explore the claim of a "free lunch" hypothesis. For data distributions, the effect of a mixture distribution of programming and natural languages on model performance is explored. We conduct a comprehensive series of empirical experiments on 1B LLMs, for which failures and successes of this exploration are distilled into four lessons. We will provide a final recipe for training and release CodeGen2 models in size 1B, 3.7B, 7B, and, 16B parameters, along with the training framework as open-source: https://github.com/salesforce/CodeGen2.

Large Language Models (LLMs) are composed of neurons that exhibit various behaviors and roles, which become increasingly diversified as models scale. Recent studies have revealed that not all neurons are active across different datasets, and this sparsity correlates positively with the task-specific ability, leading to advancements in model pruning and training efficiency. Traditional fine-tuning methods engage all parameters of LLMs, which is computationally expensive and may not be necessary. In contrast, Parameter-Efficient Fine-Tuning (PEFT) approaches aim to minimize the number of trainable parameters, yet they still operate at a relatively macro scale (e.g., layer-level). We introduce Neuron-Level Fine-Tuning (NeFT), a novel approach that refines the granularity of parameter training down to the individual neuron, enabling more precise and computationally efficient model updates. The experimental results show that NeFT not only exceeded the performance of full-parameter fine-tuning and PEFT but also provided insights into the analysis of neurons.

Artificial neural nets can represent and classify many types of data but are often tailored to particular applications -- e.g., for "fair" or "hierarchical" classification. Once an architecture has been selected, it is often difficult for humans to adjust models for a new task; for example, a hierarchical classifier cannot be easily transformed into a fair classifier that shields a protected field. Our contribution in this work is a new neural network architecture, the concept subspace network (CSN), which generalizes existing specialized classifiers to produce a unified model capable of learning a spectrum of multi-concept relationships. We demonstrate that CSNs reproduce state-of-the-art results in fair classification when enforcing concept independence, may be transformed into hierarchical classifiers, or even reconcile fairness and hierarchy within a single classifier. The CSN is inspired by existing prototype-based classifiers that promote interpretability.

Representation-based retrieval models, so-called biencoders, estimate the relevance of a document to a query by calculating the similarity of their respective embeddings. Current state-of-the-art biencoders are trained using an expensive training regime involving knowledge distillation from a teacher model and batch-sampling. Instead of relying on a teacher model, we contribute a novel parameter-free loss function for self-supervision that exploits the pre-trained language modeling capabilities of the encoder model as a training signal, eliminating the need for batch sampling by performing implicit hard negative mining. We investigate the capabilities of our proposed approach through extensive ablation studies, demonstrating that self-distillation can match the effectiveness of teacher distillation using only 13.5% of the data, while offering a speedup in training time between 3x and 15x compared to parametrized losses. Code and data is made openly available.