Daily Papers

As their size increases, Large Languages Models (LLMs) are natural candidates for network pruning methods: approaches that drop a subset of network weights while striving to preserve performance. Existing methods, however, require either retraining, which is rarely affordable for billion-scale LLMs, or solving a weight reconstruction problem reliant on second-order information, which may also be computationally expensive. In this paper, we introduce a novel, straightforward yet effective pruning method, termed Wanda (Pruning by Weights and activations), designed to induce sparsity in pretrained LLMs. Motivated by the recent observation of emergent large magnitude features in LLMs, our approach prunes weights with the smallest magnitudes multiplied by the corresponding input activations, on a per-output basis. Notably, Wanda requires no retraining or weight update, and the pruned LLM can be used as is. We conduct a thorough evaluation of our method Wanda on LLaMA and LLaMA-2 across various language benchmarks. Wanda significantly outperforms the established baseline of magnitude pruning and performs competitively against recent method involving intensive weight update. Code is available at https://github.com/locuslab/wanda.

Vision-Language Models (VLMs) such as CLIP are trained on large amounts of image-text pairs, resulting in remarkable generalization across several data distributions. The prohibitively expensive training and data collection/curation costs of these models make them valuable Intellectual Property (IP) for organizations. This motivates a vendor-client paradigm, where a vendor trains a large-scale VLM and grants only input-output access to clients on a pay-per-query basis in a black-box setting. The client aims to minimize inference cost by distilling the VLM to a student model using the limited available task-specific data, and further deploying this student model in the downstream application. While naive distillation largely improves the In-Domain (ID) accuracy of the student, it fails to transfer the superior out-of-distribution (OOD) generalization of the VLM teacher using the limited available labeled images. To mitigate this, we propose Vision-Language to Vision-Align, Distill, Predict (VL2V-ADiP), which first aligns the vision and language modalities of the teacher model with the vision modality of a pre-trained student model, and further distills the aligned VLM embeddings to the student. This maximally retains the pre-trained features of the student, while also incorporating the rich representations of the VLM image encoder and the superior generalization of the text embeddings. The proposed approach achieves state-of-the-art results on the standard Domain Generalization benchmarks in a black-box teacher setting, and also when weights of the VLM are accessible.

Despite their widespread success, the application of deep neural networks to functional data remains scarce today. The infinite dimensionality of functional data means standard learning algorithms can be applied only after appropriate dimension reduction, typically achieved via basis expansions. Currently, these bases are chosen a priori without the information for the task at hand and thus may not be effective for the designated task. We instead propose to adaptively learn these bases in an end-to-end fashion. We introduce neural networks that employ a new Basis Layer whose hidden units are each basis functions themselves implemented as a micro neural network. Our architecture learns to apply parsimonious dimension reduction to functional inputs that focuses only on information relevant to the target rather than irrelevant variation in the input function. Across numerous classification/regression tasks with functional data, our method empirically outperforms other types of neural networks, and we prove that our approach is statistically consistent with low generalization error. Code is available at: https://github.com/jwyyy/AdaFNN.

We propose a novel interpretation technique to explain the behavior of structured output models, which learn mappings between an input vector to a set of output variables simultaneously. Because of the complex relationship between the computational path of output variables in structured models, a feature can affect the value of output through other ones. We focus on one of the outputs as the target and try to find the most important features utilized by the structured model to decide on the target in each locality of the input space. In this paper, we assume an arbitrary structured output model is available as a black box and argue how considering the correlations between output variables can improve the explanation performance. The goal is to train a function as an interpreter for the target output variable over the input space. We introduce an energy-based training process for the interpreter function, which effectively considers the structural information incorporated into the model to be explained. The effectiveness of the proposed method is confirmed using a variety of simulated and real data sets.

The problem of attribution is concerned with identifying the parts of an input that are responsible for a model's output. An important family of attribution methods is based on measuring the effect of perturbations applied to the input. In this paper, we discuss some of the shortcomings of existing approaches to perturbation analysis and address them by introducing the concept of extremal perturbations, which are theoretically grounded and interpretable. We also introduce a number of technical innovations to compute extremal perturbations, including a new area constraint and a parametric family of smooth perturbations, which allow us to remove all tunable hyper-parameters from the optimization problem. We analyze the effect of perturbations as a function of their area, demonstrating excellent sensitivity to the spatial properties of the deep neural network under stimulation. We also extend perturbation analysis to the intermediate layers of a network. This application allows us to identify the salient channels necessary for classification, which, when visualized using feature inversion, can be used to elucidate model behavior. Lastly, we introduce TorchRay, an interpretability library built on PyTorch.

Polynomial filters, a kind of Graph Neural Networks, typically use a predetermined polynomial basis and learn the coefficients from the training data. It has been observed that the effectiveness of the model is highly dependent on the property of the polynomial basis. Consequently, two natural and fundamental questions arise: Can we learn a suitable polynomial basis from the training data? Can we determine the optimal polynomial basis for a given graph and node features? In this paper, we propose two spectral GNN models that provide positive answers to the questions posed above. First, inspired by Favard's Theorem, we propose the FavardGNN model, which learns a polynomial basis from the space of all possible orthonormal bases. Second, we examine the supposedly unsolvable definition of optimal polynomial basis from Wang & Zhang (2022) and propose a simple model, OptBasisGNN, which computes the optimal basis for a given graph structure and graph signal. Extensive experiments are conducted to demonstrate the effectiveness of our proposed models.

Modern retrieval system often requires recomputing the representation of every piece of data in the gallery when updating to a better representation model. This process is known as backfilling and can be especially costly in the real world where the gallery often contains billions of samples. Recently, researchers have proposed the idea of Backward Compatible Training (BCT) where the new representation model can be trained with an auxiliary loss to make it backward compatible with the old representation. In this way, the new representation can be directly compared with the old representation, in principle avoiding the need for any backfilling. However, followup work shows that there is an inherent tradeoff where a backward compatible representation model cannot simultaneously maintain the performance of the new model itself. This paper reports our ``not-so-surprising'' finding that adding extra dimensions to the representation can help here. However, we also found that naively increasing the dimension of the representation did not work. To deal with this, we propose Backward-compatible Training with a novel Basis Transformation (BT^2). A basis transformation (BT) is basically a learnable set of parameters that applies an orthonormal transformation. Such a transformation possesses an important property whereby the original information contained in its input is retained in its output. We show in this paper how a BT can be utilized to add only the necessary amount of additional dimensions. We empirically verify the advantage of BT^2 over other state-of-the-art methods in a wide range of settings. We then further extend BT^2 to other challenging yet more practical settings, including significant change in model architecture (CNN to Transformers), modality change, and even a series of updates in the model architecture mimicking the evolution of deep learning models.

This paper presents a computationally efficient variant of gradient boosting for multi-class classification and multi-output regression tasks. Standard gradient boosting uses a 1-vs-all strategy for classifications tasks with more than two classes. This strategy translates in that one tree per class and iteration has to be trained. In this work, we propose the use of multi-output regressors as base models to handle the multi-class problem as a single task. In addition, the proposed modification allows the model to learn multi-output regression problems. An extensive comparison with other multi-ouptut based gradient boosting methods is carried out in terms of generalization and computational efficiency. The proposed method showed the best trade-off between generalization ability and training and predictions speeds.

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing models that capture the relationship between utility function values and subsets within their respective supersets. However, these approaches tend to overlook the valuable information contained within the superset when utilizing neural networks to model set functions. In this work, we address this oversight by adopting a probabilistic perspective. Our theoretical findings demonstrate that when the target value is conditioned on both the input set and subset, it is essential to incorporate an invariant sufficient statistic of the superset into the subset of interest for effective learning. This ensures that the output value remains invariant to permutations of the subset and its corresponding superset, enabling identification of the specific superset from which the subset originated. Motivated by these insights, we propose a simple yet effective information aggregation module designed to merge the representations of subsets and supersets from a permutation invariance perspective. Comprehensive empirical evaluations across diverse tasks and datasets validate the enhanced efficacy of our approach over conventional methods, underscoring the practicality and potency of our proposed strategies in real-world contexts.

In this paper we propose a novel model for unconditional audio generation based on generating one audio sample at a time. We show that our model, which profits from combining memory-less modules, namely autoregressive multilayer perceptrons, and stateful recurrent neural networks in a hierarchical structure is able to capture underlying sources of variations in the temporal sequences over very long time spans, on three datasets of different nature. Human evaluation on the generated samples indicate that our model is preferred over competing models. We also show how each component of the model contributes to the exhibited performance.

Pretext-based self-supervised learning learns the semantic representation via a handcrafted pretext task over unlabeled data and then uses the learned representation for downstream tasks, which effectively reduces the sample complexity of downstream tasks under Conditional Independence (CI) condition. However, the downstream sample complexity gets much worse if the CI condition does not hold. One interesting question is whether we can make the CI condition hold by using downstream data to refine the unlabeled data to boost self-supervised learning. At first glance, one might think that seeing downstream data in advance would always boost the downstream performance. However, we show that it is not intuitively true and point out that in some cases, it hurts the final performance instead. In particular, we prove both model-free and model-dependent lower bounds of the number of downstream samples used for data refinement. Moreover, we conduct various experiments on both synthetic and real-world datasets to verify our theoretical results.

We provide a full characterisation of all of the possible alternating group (A_n) equivariant neural networks whose layers are some tensor power of R^{n}. In particular, we find a basis of matrices for the learnable, linear, A_n-equivariant layer functions between such tensor power spaces in the standard basis of R^{n}. We also describe how our approach generalises to the construction of neural networks that are equivariant to local symmetries.

Set representation has become ubiquitous in deep learning for modeling the inductive bias of neural networks that are insensitive to the input order. DeepSets is the most widely used neural network architecture for set representation. It involves embedding each set element into a latent space with dimension L, followed by a sum pooling to obtain a whole-set embedding, and finally mapping the whole-set embedding to the output. In this work, we investigate the impact of the dimension L on the expressive power of DeepSets. Previous analyses either oversimplified high-dimensional features to be one-dimensional features or were limited to analytic activations, thereby diverging from practical use or resulting in L that grows exponentially with the set size N and feature dimension D. To investigate the minimal value of L that achieves sufficient expressive power, we present two set-element embedding layers: (a) linear + power activation (LP) and (b) linear + exponential activations (LE). We demonstrate that L being poly(N, D) is sufficient for set representation using both embedding layers. We also provide a lower bound of L for the LP embedding layer. Furthermore, we extend our results to permutation-equivariant set functions and the complex field.

There has been a recent surge of interest in modeling neural networks (NNs) as Gaussian processes. In the limit of a NN of infinite width the NN becomes equivalent to a Gaussian process. Here we demonstrate that for an ensemble of large, finite, fully connected networks with a single hidden layer the distribution of outputs at initialization is well described by a Gaussian perturbed by the fourth Hermite polynomial for weights drawn from a symmetric distribution. We show that the scale of the perturbation is inversely proportional to the number of units in the NN and that higher order terms decay more rapidly, thereby recovering the Edgeworth expansion. We conclude by observing that understanding how this perturbation changes under training would reveal the regimes in which the Gaussian process framework is valid to model NN behavior.

Identifying a small molecule from its mass spectrum is the primary open problem in computational metabolomics. This is typically cast as information retrieval: an unknown spectrum is matched against spectra predicted computationally from a large database of chemical structures. However, current approaches to spectrum prediction model the output space in ways that force a tradeoff between capturing high resolution mass information and tractable learning. We resolve this tradeoff by casting spectrum prediction as a mapping from an input molecular graph to a probability distribution over molecular formulas. We discover that a large corpus of mass spectra can be closely approximated using a fixed vocabulary constituting only 2% of all observed formulas. This enables efficient spectrum prediction using an architecture similar to graph classification - GrAFF-MS - achieving significantly lower prediction error and orders-of-magnitude faster runtime than state-of-the-art methods.

The output structure of database-like tables, consisting of values structured in horizontal rows and vertical columns identifiable by name, can cover a wide range of NLP tasks. Following this constatation, we propose a framework for text-to-table neural models applicable to problems such as extraction of line items, joint entity and relation extraction, or knowledge base population. The permutation-based decoder of our proposal is a generalized sequential method that comprehends information from all cells in the table. The training maximizes the expected log-likelihood for a table's content across all random permutations of the factorization order. During the content inference, we exploit the model's ability to generate cells in any order by searching over possible orderings to maximize the model's confidence and avoid substantial error accumulation, which other sequential models are prone to. Experiments demonstrate a high practical value of the framework, which establishes state-of-the-art results on several challenging datasets, outperforming previous solutions by up to 15%.

We carry out an information-theoretical analysis of a two-layer neural network trained from input-output pairs generated by a teacher network with matching architecture, in overparametrized regimes. Our results come in the form of bounds relating i) the mutual information between training data and network weights, or ii) the Bayes-optimal generalization error, to the same quantities but for a simpler (generalized) linear model for which explicit expressions are rigorously known. Our bounds, which are expressed in terms of the number of training samples, input dimension and number of hidden units, thus yield fundamental performance limits for any neural network (and actually any learning procedure) trained from limited data generated according to our two-layer teacher neural network model. The proof relies on rigorous tools from spin glasses and is guided by ``Gaussian equivalence principles'' lying at the core of numerous recent analyses of neural networks. With respect to the existing literature, which is either non-rigorous or restricted to the case of the learning of the readout weights only, our results are information-theoretic (i.e. are not specific to any learning algorithm) and, importantly, cover a setting where all the network parameters are trained.

We consider in this work quantities that can be obtained as limits of powers of parametrized matrices, for instance the inverse matrix or the logarithm of the determinant. Under the assumption of affine dependence in the parameters, we use the Empirical Interpolation Method (EIM) to derive an approximation for powers of these matrices, from which we derive a nonintrusive approximation for the aforementioned limits. We derive upper bounds of the error made by the obtained formula. Finally, numerical comparisons with classical intrusive and nonintrusive approximation techniques are provided: in the considered test-cases, our algorithm performs well compared to the nonintrusive ones.

Autoregressive models, such as the GPT family, use a fixed order, usually left-to-right, to generate sequences. However, this is not a necessity. In this paper, we challenge this assumption and show that by simply adding a positional encoding for the output, this order can be modulated on-the-fly per-sample which offers key advantageous properties. It allows for the sampling of and conditioning on arbitrary subsets of tokens, and it also allows sampling in one shot multiple tokens dynamically according to a rejection strategy, leading to a sub-linear number of model evaluations. We evaluate our method across various domains, including language modeling, path-solving, and aircraft vertical rate prediction, decreasing the number of steps required for generation by an order of magnitude.

Many recently trained neural networks employ large numbers of parameters to achieve good performance. One may intuitively use the number of parameters required as a rough gauge of the difficulty of a problem. But how accurate are such notions? How many parameters are really needed? In this paper we attempt to answer this question by training networks not in their native parameter space, but instead in a smaller, randomly oriented subspace. We slowly increase the dimension of this subspace, note at which dimension solutions first appear, and define this to be the intrinsic dimension of the objective landscape. The approach is simple to implement, computationally tractable, and produces several suggestive conclusions. Many problems have smaller intrinsic dimensions than one might suspect, and the intrinsic dimension for a given dataset varies little across a family of models with vastly different sizes. This latter result has the profound implication that once a parameter space is large enough to solve a problem, extra parameters serve directly to increase the dimensionality of the solution manifold. Intrinsic dimension allows some quantitative comparison of problem difficulty across supervised, reinforcement, and other types of learning where we conclude, for example, that solving the inverted pendulum problem is 100 times easier than classifying digits from MNIST, and playing Atari Pong from pixels is about as hard as classifying CIFAR-10. In addition to providing new cartography of the objective landscapes wandered by parameterized models, the method is a simple technique for constructively obtaining an upper bound on the minimum description length of a solution. A byproduct of this construction is a simple approach for compressing networks, in some cases by more than 100 times.

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.

This paper offers a new perspective to ease the challenge of domain generalization, which involves maintaining robust results even in unseen environments. Our design focuses on the decision-making process in the final classifier layer. Specifically, we propose treating the element-wise contributions to the final results as the rationale for making a decision and representing the rationale for each sample as a matrix. For a well-generalized model, we suggest the rationale matrices for samples belonging to the same category should be similar, indicating the model relies on domain-invariant clues to make decisions, thereby ensuring robust results. To implement this idea, we introduce a rationale invariance loss as a simple regularization technique, requiring only a few lines of code. Our experiments demonstrate that the proposed approach achieves competitive results across various datasets, despite its simplicity. Code is available at https://github.com/liangchen527/RIDG.

Implicit neural representations (INRs) have arisen as useful methods for representing signals on Euclidean domains. By parameterizing an image as a multilayer perceptron (MLP) on Euclidean space, INRs effectively represent signals in a way that couples spatial and spectral features of the signal that is not obvious in the usual discrete representation, paving the way for continuous signal processing and machine learning approaches that were not previously possible. Although INRs using sinusoidal activation functions have been studied in terms of Fourier theory, recent works have shown the advantage of using wavelets instead of sinusoids as activation functions, due to their ability to simultaneously localize in both frequency and space. In this work, we approach such INRs and demonstrate how they resolve high-frequency features of signals from coarse approximations done in the first layer of the MLP. This leads to multiple prescriptions for the design of INR architectures, including the use of complex wavelets, decoupling of low and band-pass approximations, and initialization schemes based on the singularities of the desired signal.

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.

The learnable, linear neural network layers between tensor power spaces of R^{n} that are equivariant to the orthogonal group, O(n), the special orthogonal group, SO(n), and the symplectic group, Sp(n), were characterised in arXiv:2212.08630. We present an algorithm for multiplying a vector by any weight matrix for each of these groups, using category theoretic constructions to implement the procedure. We achieve a significant reduction in computational cost compared with a naive implementation by making use of Kronecker product matrices to perform the multiplication. We show that our approach extends to the symmetric group, S_n, recovering the algorithm of arXiv:2303.06208 in the process.

For learning with noisy labels, the transition matrix, which explicitly models the relation between noisy label distribution and clean label distribution, has been utilized to achieve the statistical consistency of either the classifier or the risk. Previous researches have focused more on how to estimate this transition matrix well, rather than how to utilize it. We propose good utilization of the transition matrix is crucial and suggest a new utilization method based on resampling, coined RENT. Specifically, we first demonstrate current utilizations can have potential limitations for implementation. As an extension to Reweighting, we suggest the Dirichlet distribution-based per-sample Weight Sampling (DWS) framework, and compare reweighting and resampling under DWS framework. With the analyses from DWS, we propose RENT, a REsampling method with Noise Transition matrix. Empirically, RENT consistently outperforms existing transition matrix utilization methods, which includes reweighting, on various benchmark datasets. Our code is available at https://github.com/BaeHeeSun/RENT.

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.

Self-predictive unsupervised learning methods such as BYOL or SimSiam have shown impressive results, and counter-intuitively, do not collapse to trivial representations. In this work, we aim at exploring the simplest possible mathematical arguments towards explaining the underlying mechanisms behind self-predictive unsupervised learning. We start with the observation that those methods crucially rely on the presence of a predictor network (and stop-gradient). With simple linear algebra, we show that when using a linear predictor, the optimal predictor is close to an orthogonal projection, and propose a general framework based on orthonormalization that enables to interpret and give intuition on why BYOL works. In addition, this framework demonstrates the crucial role of the exponential moving average and stop-gradient operator in BYOL as an efficient orthonormalization mechanism. We use these insights to propose four new closed-form predictor variants of BYOL to support our analysis. Our closed-form predictors outperform standard linear trainable predictor BYOL at 100 and 300 epochs (top-1 linear accuracy on ImageNet).

We show that Large Language Model from Power Law Decoder Representations (PLDR-LLM) is a foundational model whose deductive outputs are invariant tensors up to a small perturbation. PLDR-LLM learns a singularity condition for the deductive outputs that enable the once-inferred energy-curvature tensor G_{LM} to replace the deep neural network of power law graph attention (PLGA) generating the deductive outputs at inference. We demonstrate that a cache for G_{LM} (G-cache) and KV-cache can be implemented in a straightforward manner to improve the inference time. The invariance and generalizable nature of deductive outputs is at a very high fidelity where deductive outputs have same RMSE and determinant values up to 15 decimal places after caching, and zero-shot benchmark scores remain unchanged. Ablation studies show that learned deductive outputs have distinct loss and accuracy characteristics from models pretrained with transferred, randomly initialized or identity tensors as a constant tensor operator and an LLM with scaled-dot product attention (SDPA) is a special case of PLDR-LLM where G_{LM} is predefined as identity. The observed invariance characteristic introduces a novel asymmetry between training and inference phases with caching. We outline observed common characteristics of the deductive outputs for the learned singularity condition. We provide an implementation of a training and inference framework for PLDR-LLM with KV-cache and G-cache.

Linear transformation of the inputs alters the training performance of feed-forward networks that are otherwise equivalent. However, most linear transforms are viewed as a pre-processing operation separate from the actual training. Starting from equivalent networks, it is shown that pre-processing inputs using linear transformation are equivalent to multiplying the negative gradient matrix with an autocorrelation matrix per training iteration. Second order method is proposed to find the autocorrelation matrix that maximizes learning in a given iteration. When the autocorrelation matrix is diagonal, the method optimizes input gains. This optimal input gain (OIG) approach is used to improve two first-order two-stage training algorithms, namely back-propagation (BP) and hidden weight optimization (HWO), which alternately update the input weights and solve linear equations for output weights. Results show that the proposed OIG approach greatly enhances the performance of the first-order algorithms, often allowing them to rival the popular Levenberg-Marquardt approach with far less computation. It is shown that HWO is equivalent to BP with Whitening transformation applied to the inputs. HWO effectively combines Whitening transformation with learning. Thus, OIG improved HWO could be a significant building block to more complex deep learning architectures.

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).

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

In this paper, we derive a novel bound on the generalization error of Magnitude-Based pruning of overparameterized neural networks. Our work builds on the bounds in Arora et al. [2018] where the error depends on one, the approximation induced by pruning, and two, the number of parameters in the pruned model, and improves upon standard norm-based generalization bounds. The pruned estimates obtained using our new Magnitude-Based compression algorithm are close to the unpruned functions with high probability, which improves the first criteria. Using Sparse Matrix Sketching, the space of the pruned matrices can be efficiently represented in the space of dense matrices of much smaller dimensions, thereby lowering the second criterion. This leads to stronger generalization bound than many state-of-the-art methods, thereby breaking new ground in the algorithm development for pruning and bounding generalization error of overparameterized models. Beyond this, we extend our results to obtain generalization bound for Iterative Pruning [Frankle and Carbin, 2018]. We empirically verify the success of this new method on ReLU-activated Feed Forward Networks on the MNIST and CIFAR10 datasets.

Current foundation models exhibit impressive capabilities when prompted either with text only or with both image and text inputs. But do their capabilities change depending on the input modality? In this work, we propose IsoBench, a benchmark dataset containing problems from four major areas: math, science, algorithms, and games. Each example is presented with multiple isomorphic representations of inputs, such as visual, textual, and mathematical presentations. IsoBench provides fine-grained feedback to diagnose performance gaps caused by the form of the representation. Across various foundation models, we observe that on the same problem, models have a consistent preference towards textual representations. Most prominently, when evaluated on all IsoBench problems, Claude-3 Opus performs 28.7 points worse when provided with images instead of text; similarly, GPT-4 Turbo is 18.7 points worse and Gemini Pro is 14.9 points worse. Finally, we present two prompting techniques, IsoCombination and IsoScratchPad, which improve model performance by considering combinations of, and translations between, different input representations.

Periodic signals play an important role in daily lives. Although conventional sequential models have shown remarkable success in various fields, they still come short in modeling periodicity; they either collapse, diverge or ignore details. In this paper, we introduce a novel framework inspired by Fourier series to generate periodic signals. We first decompose the given signals into multiple sines and cosines and then conditionally generate periodic signals with the output components. We have shown our model efficacy on three tasks: reconstruction, imputation and conditional generation. Our model outperforms baselines in all tasks and shows more stable and refined results.

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.

Recent In-Context Learning based methods have achieved remarkable success in Text-to-SQL task. However, there is still a large gap between the performance of these models and human performance on datasets with complex database schema and difficult questions, such as BIRD. Besides, existing work has neglected to supervise intermediate steps when solving questions iteratively with question decomposition methods, and the schema linking methods used in these works are very rudimentary. To address these issues, we propose MAG-SQL, a multi-agent generative approach with soft schema linking and iterative Sub-SQL refinement. In our framework, an entity-based method with tables' summary is used to select the columns in database, and a novel targets-conditions decomposition method is introduced to decompose those complex questions. Additionally, we build a iterative generating module which includes a Sub-SQL Generator and Sub-SQL Refiner, introducing external oversight for each step of generation. Through a series of ablation studies, the effectiveness of each agent in our framework has been demonstrated. When evaluated on the BIRD benchmark with GPT-4, MAG-SQL achieves an execution accuracy of 61.08\%, compared to the baseline accuracy of 46.35\% for vanilla GPT-4 and the baseline accuracy of 57.56\% for MAC-SQL. Besides, our approach makes similar progress on Spider.

Understanding the internal representations learned by neural networks is a cornerstone challenge in the science of machine learning. While there have been significant recent strides in some cases towards understanding how neural networks implement specific target functions, this paper explores a complementary question -- why do networks arrive at particular computational strategies? Our inquiry focuses on the algebraic learning tasks of modular addition, sparse parities, and finite group operations. Our primary theoretical findings analytically characterize the features learned by stylized neural networks for these algebraic tasks. Notably, our main technique demonstrates how the principle of margin maximization alone can be used to fully specify the features learned by the network. Specifically, we prove that the trained networks utilize Fourier features to perform modular addition and employ features corresponding to irreducible group-theoretic representations to perform compositions in general groups, aligning closely with the empirical observations of Nanda et al. and Chughtai et al. More generally, we hope our techniques can help to foster a deeper understanding of why neural networks adopt specific computational strategies.

Transformers have a potential of learning longer-term dependency, but are limited by a fixed-length context in the setting of language modeling. We propose a novel neural architecture Transformer-XL that enables learning dependency beyond a fixed length without disrupting temporal coherence. It consists of a segment-level recurrence mechanism and a novel positional encoding scheme. Our method not only enables capturing longer-term dependency, but also resolves the context fragmentation problem. As a result, Transformer-XL learns dependency that is 80% longer than RNNs and 450% longer than vanilla Transformers, achieves better performance on both short and long sequences, and is up to 1,800+ times faster than vanilla Transformers during evaluation. Notably, we improve the state-of-the-art results of bpc/perplexity to 0.99 on enwiki8, 1.08 on text8, 18.3 on WikiText-103, 21.8 on One Billion Word, and 54.5 on Penn Treebank (without finetuning). When trained only on WikiText-103, Transformer-XL manages to generate reasonably coherent, novel text articles with thousands of tokens. Our code, pretrained models, and hyperparameters are available in both Tensorflow and PyTorch.

Scaling law principles indicate a power-law correlation between loss and variables such as model size, dataset size, and computational resources utilized during training. These principles play a vital role in optimizing various aspects of model pre-training, ultimately contributing to the success of large language models such as GPT-4, Llama and Gemini. However, the original scaling law paper by OpenAI did not disclose the complete details necessary to derive the precise scaling law formulas, and their conclusions are only based on models containing up to 1.5 billion parameters. Though some subsequent works attempt to unveil these details and scale to larger models, they often neglect the training dependency of important factors such as the learning rate, context length and batch size, leading to their failure to establish a reliable formula for predicting the test loss trajectory. In this technical report, we confirm that the scaling law formulations proposed in the original OpenAI paper remain valid when scaling the model size up to 33 billion, but the constant coefficients in these formulas vary significantly with the experiment setup. We meticulously identify influential factors and provide transparent, step-by-step instructions to estimate all constant terms in scaling-law formulas by training on models with only 1M~60M parameters. Using these estimated formulas, we showcase the capability to accurately predict various attributes for models with up to 33B parameters before their training, including (1) the minimum possible test loss; (2) the minimum required training steps and processed tokens to achieve a specific loss; (3) the critical batch size with an optimal time/computation trade-off at any loss value; and (4) the complete test loss trajectory with arbitrary batch size.

As the demand for high-quality data in model training grows, researchers and developers are increasingly generating synthetic data to tune and train LLMs. A common assumption about synthetic data is that sampling from instruct-tuned models is sufficient; however, these models struggle to produce diverse outputs-a key requirement for generalization. Despite various prompting methods, in this work we show that achieving meaningful diversity from instruct-tuned models remains challenging. In contrast, we find base models without post-training exhibit greater diversity, but are less capable at instruction following and hence of lower quality. Leveraging this insight, we propose Base-Refine (BARE), a synthetic data generation method that combines the diversity of base models with the quality of instruct-tuned models through a two-stage process. With minimal few-shot examples and curation, BARE generates diverse and high-quality datasets, improving downstream task performance. We show that fine-tuning with as few as 1,000 BARE-generated samples can reach performance comparable to the best similarly sized models on LiveCodeBench tasks. Furthermore, fine-tuning with BARE-generated data achieves a 101% improvement over instruct-only data on GSM8K and a 18.4% improvement over SOTA methods on RAFT.

Previous literature offers limited clues on how to learn a periodic function using modern neural networks. We start with a study of the extrapolation properties of neural networks; we prove and demonstrate experimentally that the standard activations functions, such as ReLU, tanh, sigmoid, along with their variants, all fail to learn to extrapolate simple periodic functions. We hypothesize that this is due to their lack of a "periodic" inductive bias. As a fix of this problem, we propose a new activation, namely, x + sin^2(x), which achieves the desired periodic inductive bias to learn a periodic function while maintaining a favorable optimization property of the ReLU-based activations. Experimentally, we apply the proposed method to temperature and financial data prediction.

This paper proposes a method for the automatic creation of variables (in the case of regression) that complement the information contained in the initial input vector. The method works as a pre-processing step in which the continuous values of the variable to be regressed are discretized into a set of intervals which are then used to define value thresholds. Then classifiers are trained to predict whether the value to be regressed is less than or equal to each of these thresholds. The different outputs of the classifiers are then concatenated in the form of an additional vector of variables that enriches the initial vector of the regression problem. The implemented system can thus be considered as a generic pre-processing tool. We tested the proposed enrichment method with 5 types of regressors and evaluated it in 33 regression datasets. Our experimental results confirm the interest of the approach.

Fast feedforward networks (FFFs) are a class of neural networks that exploit the observation that different regions of the input space activate distinct subsets of neurons in wide networks. FFFs partition the input space into separate sections using a differentiable binary tree of neurons and during inference descend the binary tree in order to improve computational efficiency. Inspired by Mixture of Experts (MoE) research, we propose the incorporation of load balancing and Master Leaf techniques into the FFF architecture to improve performance and simplify the training process. We reproduce experiments found in literature and present results on FFF models enhanced using these techniques. The proposed architecture and training recipe achieves up to 16.3% and 3% absolute classification accuracy increase in training and test accuracy, respectively, compared to the original FFF architecture. Additionally, we observe a smaller variance in the results compared to those reported in prior research. These findings demonstrate the potential of integrating MoE-inspired techniques into FFFs for developing more accurate and efficient models.

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However, existing approaches either overlook the inherent permutation symmetry in the neural network or rely on intricate weight-sharing patterns to achieve equivariance, while ignoring the impact of the network architecture itself. In this work, we propose to represent neural networks as computational graphs of parameters, which allows us to harness powerful graph neural networks and transformers that preserve permutation symmetry. Consequently, our approach enables a single model to encode neural computational graphs with diverse architectures. We showcase the effectiveness of our method on a wide range of tasks, including classification and editing of implicit neural representations, predicting generalization performance, and learning to optimize, while consistently outperforming state-of-the-art methods. The source code is open-sourced at https://github.com/mkofinas/neural-graphs.

Generating clinical reports from raw recordings such as X-rays and electroencephalogram (EEG) is an essential and routine task for doctors. However, it is often time-consuming to write accurate and detailed reports. Most existing methods try to generate the whole reports from the raw input with limited success because 1) generated reports often contain errors that need manual review and correction, 2) it does not save time when doctors want to write additional information into the report, and 3) the generated reports are not customized based on individual doctors' preference. We propose {\it CL}inic{\it A}l {\it R}eport {\it A}uto-completion (CLARA), an interactive method that generates reports in a sentence by sentence fashion based on doctors' anchor words and partially completed sentences. CLARA searches for most relevant sentences from existing reports as the template for the current report. The retrieved sentences are sequentially modified by combining with the input feature representations to create the final report. In our experimental evaluation, CLARA achieved 0.393 CIDEr and 0.248 BLEU-4 on X-ray reports and 0.482 CIDEr and 0.491 BLEU-4 for EEG reports for sentence-level generation, which is up to 35% improvement over the best baseline. Also via our qualitative evaluation, CLARA is shown to produce reports which have a significantly higher level of approval by doctors in a user study (3.74 out of 5 for CLARA vs 2.52 out of 5 for the baseline).

Code generation models have increasingly become integral to aiding software development, offering assistance in tasks such as code completion, debugging, and code translation. Although current research has thoroughly examined the correctness of code produced by code generation models, a vital aspect, i.e., the efficiency of the generated code, has often been neglected. This paper presents EffiBench, a benchmark with 1,000 efficiency-critical coding problems for assessing the efficiency of code generated by code generation models. EffiBench contains a diverse set of LeetCode coding problems. Each problem is paired with an executable human-written canonical solution. With EffiBench, we empirically examine the capability of 21 Large Language Models (13 open-sourced and 8 closed-sourced) in generating efficient code. The results demonstrate that GPT-4-turbo generates the most efficient code, significantly outperforming Palm-2-chat-bison, Claude-instant-1, Gemini-pro, GPT-4, and GPT-3.5. Nevertheless, its code efficiency is still worse than the efficiency of human-written canonical solutions. In particular, the average and worst execution time of GPT-4-turbo generated code is 1.69 and 45.49 times that of the canonical solutions.

Conformal prediction (CP) for regression can be challenging, especially when the output distribution is heteroscedastic, multimodal, or skewed. Some of the issues can be addressed by estimating a distribution over the output, but in reality, such approaches can be sensitive to estimation error and yield unstable intervals.~Here, we circumvent the challenges by converting regression to a classification problem and then use CP for classification to obtain CP sets for regression.~To preserve the ordering of the continuous-output space, we design a new loss function and make necessary modifications to the CP classification techniques.~Empirical results on many benchmarks shows that this simple approach gives surprisingly good results on many practical problems.

Although disentangled representations are often said to be beneficial for downstream tasks, current empirical and theoretical understanding is limited. In this work, we provide evidence that disentangled representations coupled with sparse base-predictors improve generalization. In the context of multi-task learning, we prove a new identifiability result that provides conditions under which maximally sparse base-predictors yield disentangled representations. Motivated by this theoretical result, we propose a practical approach to learn disentangled representations based on a sparsity-promoting bi-level optimization problem. Finally, we explore a meta-learning version of this algorithm based on group Lasso multiclass SVM base-predictors, for which we derive a tractable dual formulation. It obtains competitive results on standard few-shot classification benchmarks, while each task is using only a fraction of the learned representations.

Feed-forward layers constitute two-thirds of a transformer model's parameters, yet their role in the network remains under-explored. We show that feed-forward layers in transformer-based language models operate as key-value memories, where each key correlates with textual patterns in the training examples, and each value induces a distribution over the output vocabulary. Our experiments show that the learned patterns are human-interpretable, and that lower layers tend to capture shallow patterns, while upper layers learn more semantic ones. The values complement the keys' input patterns by inducing output distributions that concentrate probability mass on tokens likely to appear immediately after each pattern, particularly in the upper layers. Finally, we demonstrate that the output of a feed-forward layer is a composition of its memories, which is subsequently refined throughout the model's layers via residual connections to produce the final output distribution.

Large language models have demonstrated impressive performance on challenging mathematical reasoning tasks, which has triggered the discussion of whether the performance is achieved by true reasoning capability or memorization. To investigate this question, prior work has constructed mathematical benchmarks when questions undergo simple perturbations -- modifications that still preserve the underlying reasoning patterns of the solutions. However, no work has explored hard perturbations, which fundamentally change the nature of the problem so that the original solution steps do not apply. To bridge the gap, we construct MATH-P-Simple and MATH-P-Hard via simple perturbation and hard perturbation, respectively. Each consists of 279 perturbed math problems derived from level-5 (hardest) problems in the MATH dataset (Hendrycksmath et. al., 2021). We observe significant performance drops on MATH-P-Hard across various models, including o1-mini (-16.49%) and gemini-2.0-flash-thinking (-12.9%). We also raise concerns about a novel form of memorization where models blindly apply learned problem-solving skills without assessing their applicability to modified contexts. This issue is amplified when using original problems for in-context learning. We call for research efforts to address this challenge, which is critical for developing more robust and reliable reasoning models.

In large scale machine learning, random sampling is a popular way to approximate datasets by a small representative subset of examples. In particular, sensitivity sampling is an intensely studied technique which provides provable guarantees on the quality of approximation, while reducing the number of examples to the product of the VC dimension d and the total sensitivity mathfrak S in remarkably general settings. However, guarantees going beyond this general bound of mathfrak S d are known in perhaps only one setting, for ell_2 subspace embeddings, despite intense study of sensitivity sampling in prior work. In this work, we show the first bounds for sensitivity sampling for ell_p subspace embeddings for pneq 2 that improve over the general mathfrak S d bound, achieving a bound of roughly mathfrak S^{2/p} for 1leq p<2 and mathfrak S^{2-2/p} for 2<p<infty. For 1leq p<2, we show that this bound is tight, in the sense that there exist matrices for which mathfrak S^{2/p} samples is necessary. Furthermore, our techniques yield further new results in the study of sampling algorithms, showing that the root leverage score sampling algorithm achieves a bound of roughly d for 1leq p<2, and that a combination of leverage score and sensitivity sampling achieves an improved bound of roughly d^{2/p}mathfrak S^{2-4/p} for 2<p<infty. Our sensitivity sampling results yield the best known sample complexity for a wide class of structured matrices that have small ell_p sensitivity.

We begin the study of list-decodable linear regression using batches. In this setting only an alpha in (0,1] fraction of the batches are genuine. Each genuine batch contains ge n i.i.d. samples from a common unknown distribution and the remaining batches may contain arbitrary or even adversarial samples. We derive a polynomial time algorithm that for any nge tilde Omega(1/alpha) returns a list of size mathcal O(1/alpha^2) such that one of the items in the list is close to the true regression parameter. The algorithm requires only mathcal{O}(d/alpha^2) genuine batches and works under fairly general assumptions on the distribution. The results demonstrate the utility of batch structure, which allows for the first polynomial time algorithm for list-decodable regression, which may be impossible for the non-batch setting, as suggested by a recent SQ lower bound diakonikolas2021statistical for the non-batch setting.

A database of images of approximately 960 unique plants belonging to 12 species at several growth stages is made publicly available. It comprises annotated RGB images with a physical resolution of roughly 10 pixels per mm. To standardise the evaluation of classification results obtained with the database, a benchmark based on f_{1} scores is proposed. The dataset is available at https://vision.eng.au.dk/plant-seedlings-dataset

Transformers are widely used to extract semantic meanings from input tokens, yet they usually operate as black-box models. In this paper, we present a simple yet informative decomposition of hidden states (or embeddings) of trained transformers into interpretable components. For any layer, embedding vectors of input sequence samples are represented by a tensor h in R^{C times T times d}. Given embedding vector h_{c,t} in R^d at sequence position t le T in a sequence (or context) c le C, extracting the mean effects yields the decomposition \[ h_{c,t} = \mu + pos_t + ctx_c + resid_{c,t} \] where mu is the global mean vector, pos_t and ctx_c are the mean vectors across contexts and across positions respectively, and resid_{c,t} is the residual vector. For popular transformer architectures and diverse text datasets, empirically we find pervasive mathematical structure: (1) (pos_t)_{t} forms a low-dimensional, continuous, and often spiral shape across layers, (2) (ctx_c)_c shows clear cluster structure that falls into context topics, and (3) (pos_t)_{t} and (ctx_c)_c are mutually nearly orthogonal. We argue that smoothness is pervasive and beneficial to transformers trained on languages, and our decomposition leads to improved model interpretability.

We propose a new benchmark corpus to be used for measuring progress in statistical language modeling. With almost one billion words of training data, we hope this benchmark will be useful to quickly evaluate novel language modeling techniques, and to compare their contribution when combined with other advanced techniques. We show performance of several well-known types of language models, with the best results achieved with a recurrent neural network based language model. The baseline unpruned Kneser-Ney 5-gram model achieves perplexity 67.6; a combination of techniques leads to 35% reduction in perplexity, or 10% reduction in cross-entropy (bits), over that baseline. The benchmark is available as a code.google.com project; besides the scripts needed to rebuild the training/held-out data, it also makes available log-probability values for each word in each of ten held-out data sets, for each of the baseline n-gram models.

Time series foundation models have shown impressive performance on a variety of tasks, across a wide range of domains, even in zero-shot settings. However, most of these models are designed to handle short univariate time series as an input. This limits their practical use, especially in domains such as healthcare with copious amounts of long and multivariate data with strong temporal and intra-variate dependencies. Our study bridges this gap by cataloging and systematically comparing various context expansion techniques from both language and time series domains, and introducing a novel compressive memory mechanism to allow encoder-only TSFMs to effectively model intra-variate dependencies. We demonstrate the benefits of our approach by imbuing MOMENT, a recent family of multi-task time series foundation models, with the multivariate context.

There is growing evidence of the effectiveness of Shampoo, a higher-order preconditioning method, over Adam in deep learning optimization tasks. However, Shampoo's drawbacks include additional hyperparameters and computational overhead when compared to Adam, which only updates running averages of first- and second-moment quantities. This work establishes a formal connection between Shampoo (implemented with the 1/2 power) and Adafactor -- a memory-efficient approximation of Adam -- showing that Shampoo is equivalent to running Adafactor in the eigenbasis of Shampoo's preconditioner. This insight leads to the design of a simpler and computationally efficient algorithm: ShampoO with Adam in the Preconditioner's eigenbasis (SOAP). With regards to improving Shampoo's computational efficiency, the most straightforward approach would be to simply compute Shampoo's eigendecomposition less frequently. Unfortunately, as our empirical results show, this leads to performance degradation that worsens with this frequency. SOAP mitigates this degradation by continually updating the running average of the second moment, just as Adam does, but in the current (slowly changing) coordinate basis. Furthermore, since SOAP is equivalent to running Adam in a rotated space, it introduces only one additional hyperparameter (the preconditioning frequency) compared to Adam. We empirically evaluate SOAP on language model pre-training with 360m and 660m sized models. In the large batch regime, SOAP reduces the number of iterations by over 40% and wall clock time by over 35% compared to AdamW, with approximately 20% improvements in both metrics compared to Shampoo. An implementation of SOAP is available at https://github.com/nikhilvyas/SOAP.

The performance of deep network learning strongly depends on the choice of the non-linear activation function associated with each neuron. However, deciding on the best activation is non-trivial, and the choice depends on the architecture, hyper-parameters, and even on the dataset. Typically these activations are fixed by hand before training. Here, we demonstrate how to eliminate the reliance on first picking fixed activation functions by using flexible parametric rational functions instead. The resulting Pad\'e Activation Units (PAUs) can both approximate common activation functions and also learn new ones while providing compact representations. Our empirical evidence shows that end-to-end learning deep networks with PAUs can increase the predictive performance. Moreover, PAUs pave the way to approximations with provable robustness. https://github.com/ml-research/pau

We show how the Schur-Weyl duality that exists between the partition algebra and the symmetric group results in a stronger theoretical foundation for characterising all of the possible permutation equivariant neural networks whose layers are some tensor power of the permutation representation M_n of the symmetric group S_n. In doing so, we unify two separate bodies of literature, and we correct some of the major results that are now widely quoted by the machine learning community. In particular, we find a basis of matrices for the learnable, linear, permutation equivariant layer functions between such tensor power spaces in the standard basis of M_n by using an elegant graphical representation of a basis of set partitions for the partition algebra and its related vector spaces. Also, we show how we can calculate the number of weights that must appear in these layer functions by looking at certain paths through the McKay quiver for M_n. Finally, we describe how our approach generalises to the construction of neural networks that are equivariant to local symmetries.

We propose a new bound for generalization of neural networks using Koopman operators. Whereas most of existing works focus on low-rank weight matrices, we focus on full-rank weight matrices. Our bound is tighter than existing norm-based bounds when the condition numbers of weight matrices are small. Especially, it is completely independent of the width of the network if the weight matrices are orthogonal. Our bound does not contradict to the existing bounds but is a complement to the existing bounds. As supported by several existing empirical results, low-rankness is not the only reason for generalization. Furthermore, our bound can be combined with the existing bounds to obtain a tighter bound. Our result sheds new light on understanding generalization of neural networks with full-rank weight matrices, and it provides a connection between operator-theoretic analysis and generalization of neural networks.

We propose a neural network for both forward and inverse continuous nonlinear Fourier transforms, NFT and INFT respectively. We demonstrate the network's capability to perform NFT and INFT for a random mix of NFDM-QAM signals. The network transformations (NFT and INFT) exhibit true characteristics of these transformations; they are significantly different for low and high-power input pulses. The network shows adequate accuracy with an RMSE of 5e-3 for forward and 3e-2 for inverse transforms. We further show that the trained network can be used to perform general nonlinear Fourier transforms on arbitrary pulses beyond the training pulse types.

We propose a deep learning methodology for multivariate regression that is based on pattern recognition that triggers fast learning over sensor data. We used a conversion of sensors-to-image which enables us to take advantage of Computer Vision architectures and training processes. In addition to this data preparation methodology, we explore the use of state-of-the-art architectures to generate regression outputs to predict agricultural crop continuous yield information. Finally, we compare with some of the top models reported in MLCAS2021. We found that using a straightforward training process, we were able to accomplish an MAE of 4.394, RMSE of 5.945, and R^2 of 0.861.

We consider the problem of designing models to leverage a recently introduced approximate model averaging technique called dropout. We define a simple new model called maxout (so named because its output is the max of a set of inputs, and because it is a natural companion to dropout) designed to both facilitate optimization by dropout and improve the accuracy of dropout's fast approximate model averaging technique. We empirically verify that the model successfully accomplishes both of these tasks. We use maxout and dropout to demonstrate state of the art classification performance on four benchmark datasets: MNIST, CIFAR-10, CIFAR-100, and SVHN.

We perform an effective-theory analysis of forward-backward signal propagation in wide and deep Transformers, i.e., residual neural networks with multi-head self-attention blocks and multilayer perceptron blocks. This analysis suggests particular width scalings of initialization and training hyperparameters for these models. We then take up such suggestions, training Vision and Language Transformers in practical setups.

Graph neural networks (GNNs) have been shown to be highly sensitive to the choice of aggregation function. While summing over a node's neighbours can approximate any permutation-invariant function over discrete inputs, Cohen-Karlik et al. [2020] proved there are set-aggregation problems for which summing cannot generalise to unbounded inputs, proposing recurrent neural networks regularised towards permutation-invariance as a more expressive aggregator. We show that these results carry over to the graph domain: GNNs equipped with recurrent aggregators are competitive with state-of-the-art permutation-invariant aggregators, on both synthetic benchmarks and real-world problems. However, despite the benefits of recurrent aggregators, their O(V) depth makes them both difficult to parallelise and harder to train on large graphs. Inspired by the observation that a well-behaved aggregator for a GNN is a commutative monoid over its latent space, we propose a framework for constructing learnable, commutative, associative binary operators. And with this, we construct an aggregator of O(log V) depth, yielding exponential improvements for both parallelism and dependency length while achieving performance competitive with recurrent aggregators. Based on our empirical observations, our proposed learnable commutative monoid (LCM) aggregator represents a favourable tradeoff between efficient and expressive aggregators.

In this study, we introduce FEET, a standardized protocol designed to guide the development and benchmarking of foundation models. While numerous benchmark datasets exist for evaluating these models, we propose a structured evaluation protocol across three distinct scenarios to gain a comprehensive understanding of their practical performance. We define three primary use cases: frozen embeddings, few-shot embeddings, and fully fine-tuned embeddings. Each scenario is detailed and illustrated through two case studies: one in sentiment analysis and another in the medical domain, demonstrating how these evaluations provide a thorough assessment of foundation models' effectiveness in research applications. We recommend this protocol as a standard for future research aimed at advancing representation learning models.

The training process of neural networks usually optimize weights and bias parameters of linear transformations, while nonlinear activation functions are pre-specified and fixed. This work develops a systematic approach to constructing matrix activation functions whose entries are generalized from ReLU. The activation is based on matrix-vector multiplications using only scalar multiplications and comparisons. The proposed activation functions depend on parameters that are trained along with the weights and bias vectors. Neural networks based on this approach are simple and efficient and are shown to be robust in numerical experiments.

We study the problem of classification with a reject option for a fixed predictor, applicable in natural language processing. We introduce a new problem formulation for this scenario, and an algorithm minimizing a new surrogate loss function. We provide a complete theoretical analysis of the surrogate loss function with a strong H-consistency guarantee. For evaluation, we choose the decontextualization task, and provide a manually-labelled dataset of 2mathord,000 examples. Our algorithm significantly outperforms the baselines considered, with a sim!!25% improvement in coverage when halving the error rate, which is only sim!! 3 % away from the theoretical limit.

Pre-trained foundation models (FMs) have shown exceptional performance in univariate time series forecasting tasks. However, several practical challenges persist, including managing intricate dependencies among features and quantifying uncertainty in predictions. This study aims to tackle these critical limitations by introducing adapters; feature-space transformations that facilitate the effective use of pre-trained univariate time series FMs for multivariate tasks. Adapters operate by projecting multivariate inputs into a suitable latent space and applying the FM independently to each dimension. Inspired by the literature on representation learning and partially stochastic Bayesian neural networks, we present a range of adapters and optimization/inference strategies. Experiments conducted on both synthetic and real-world datasets confirm the efficacy of adapters, demonstrating substantial enhancements in forecasting accuracy and uncertainty quantification compared to baseline methods. Our framework, AdaPTS, positions adapters as a modular, scalable, and effective solution for leveraging time series FMs in multivariate contexts, thereby promoting their wider adoption in real-world applications. We release the code at https://github.com/abenechehab/AdaPTS.

In this work, we investigate whether small language models can determine high-quality subsets of large-scale text datasets that improve the performance of larger language models. While existing work has shown that pruning based on the perplexity of a larger model can yield high-quality data, we investigate whether smaller models can be used for perplexity-based pruning and how pruning is affected by the domain composition of the data being pruned. We demonstrate that for multiple dataset compositions, perplexity-based pruning of pretraining data can significantly improve downstream task performance: pruning based on perplexities computed with a 125 million parameter model improves the average performance on downstream tasks of a 3 billion parameter model by up to 2.04 and achieves up to a 1.45times reduction in pretraining steps to reach commensurate baseline performance. Furthermore, we demonstrate that such perplexity-based data pruning also yields downstream performance gains in the over-trained and data-constrained regimes.

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.

This paper presents ``Stim", a fast simulator for quantum stabilizer circuits. The paper explains how Stim works and compares it to existing tools. With no foreknowledge, Stim can analyze a distance 100 surface code circuit (20 thousand qubits, 8 million gates, 1 million measurements) in 15 seconds and then begin sampling full circuit shots at a rate of 1 kHz. Stim uses a stabilizer tableau representation, similar to Aaronson and Gottesman's CHP simulator, but with three main improvements. First, Stim improves the asymptotic complexity of deterministic measurement from quadratic to linear by tracking the {\em inverse} of the circuit's stabilizer tableau. Second, Stim improves the constant factors of the algorithm by using a cache-friendly data layout and 256 bit wide SIMD instructions. Third, Stim only uses expensive stabilizer tableau simulation to create an initial reference sample. Further samples are collected in bulk by using that sample as a reference for batches of Pauli frames propagating through the circuit.

Feedforward computation, such as evaluating a neural network or sampling from an autoregressive model, is ubiquitous in machine learning. The sequential nature of feedforward computation, however, requires a strict order of execution and cannot be easily accelerated with parallel computing. To enable parallelization, we frame the task of feedforward computation as solving a system of nonlinear equations. We then propose to find the solution using a Jacobi or Gauss-Seidel fixed-point iteration method, as well as hybrid methods of both. Crucially, Jacobi updates operate independently on each equation and can be executed in parallel. Our method is guaranteed to give exactly the same values as the original feedforward computation with a reduced (or equal) number of parallelizable iterations, and hence reduced time given sufficient parallel computing power. Experimentally, we demonstrate the effectiveness of our approach in accelerating (i) backpropagation of RNNs, (ii) evaluation of DenseNets, and (iii) autoregressive sampling of MADE and PixelCNN++, with speedup factors between 2.1 and 26 under various settings.

We provide a full characterisation of all of the possible group equivariant neural networks whose layers are some tensor power of R^{n} for three symmetry groups that are missing from the machine learning literature: O(n), the orthogonal group; SO(n), the special orthogonal group; and Sp(n), the symplectic group. In particular, we find a spanning set of matrices for the learnable, linear, equivariant layer functions between such tensor power spaces in the standard basis of R^{n} when the group is O(n) or SO(n), and in the symplectic basis of R^{n} when the group is Sp(n).

Low-rank adaptation~(LoRA) has recently gained much interest in fine-tuning foundation models. It effectively reduces the number of trainable parameters by incorporating low-rank matrices A and B to represent the weight change, i.e., Delta W=BA. Despite LoRA's progress, it faces storage challenges when handling extensive customization adaptations or larger base models. In this work, we aim to further compress trainable parameters by enjoying the powerful expressiveness of the Fourier transform. Specifically, we introduce FourierFT, which treats Delta W as a matrix in the spatial domain and learns only a small fraction of its spectral coefficients. With the trained spectral coefficients, we implement the inverse discrete Fourier transform to recover Delta W. Empirically, our FourierFT method shows comparable or better performance with fewer parameters than LoRA on various tasks, including natural language understanding, natural language generation, instruction tuning, and image classification. For example, when performing instruction tuning on the LLaMA2-7B model, FourierFT surpasses LoRA with only 0.064M trainable parameters, compared to LoRA's 33.5M. Our code is released at https://github.com/Chaos96/fourierft.

Controlled text perturbation is useful for evaluating and improving model generalizability. However, current techniques rely on training a model for every target perturbation, which is expensive and hard to generalize. We present Tailor, a semantically-controlled text generation system. Tailor builds on a pretrained seq2seq model and produces textual outputs conditioned on control codes derived from semantic representations. We craft a set of operations to modify the control codes, which in turn steer generation towards targeted attributes. These operations can be further composed into higher-level ones, allowing for flexible perturbation strategies. We demonstrate the effectiveness of these perturbations in multiple applications. First, we use Tailor to automatically create high-quality contrast sets for four distinct natural language processing (NLP) tasks. These contrast sets contain fewer spurious artifacts and are complementary to manually annotated ones in their lexical diversity. Second, we show that Tailor perturbations can improve model generalization through data augmentation. Perturbing just 2% of training data leads to a 5.8-point gain on an NLI challenge set measuring reliance on syntactic heuristics.

Vector Symbolic Architectures (VSAs) give a way to represent a complex object as a single fixed-length vector, so that similar objects have similar vector representations. These vector representations then become easy to use for machine learning or nearest-neighbor search. We review a previously proposed VSA method, MBAT (Matrix Binding of Additive Terms), which uses multiplication by random matrices for binding related terms. However, multiplying by such matrices introduces instabilities which can harm performance. Making the random matrices be orthogonal matrices provably fixes this problem. With respect to larger scale applications, we see how to apply MBAT vector representations for any data expressed in JSON. JSON is used in numerous programming languages to express complex data, but its native format appears highly unsuited for machine learning. Expressing JSON as a fixed-length vector makes it readily usable for machine learning and nearest-neighbor search. Creating such JSON vectors also shows that a VSA needs to employ binding operations that are non-commutative. VSAs are now ready to try with full-scale practical applications, including healthcare, pharmaceuticals, and genomics. Keywords: MBAT (Matrix Binding of Additive Terms), VSA (Vector Symbolic Architecture), HDC (Hyperdimensional Computing), Distributed Representations, Binding, Orthogonal Matrices, Recurrent Connections, Machine Learning, Search, JSON, VSA Applications

Learning arguably involves the discovery and memorization of abstract rules. The aim of this paper is to study associative memory mechanisms. Our model is based on high-dimensional matrices consisting of outer products of embeddings, which relates to the inner layers of transformer language models. We derive precise scaling laws with respect to sample size and parameter size, and discuss the statistical efficiency of different estimators, including optimization-based algorithms. We provide extensive numerical experiments to validate and interpret theoretical results, including fine-grained visualizations of the stored memory associations.

We introduce a boosting algorithm to pre-process data for fairness. Starting from an initial fair but inaccurate distribution, our approach shifts towards better data fitting while still ensuring a minimal fairness guarantee. To do so, it learns the sufficient statistics of an exponential family with boosting-compliant convergence. Importantly, we are able to theoretically prove that the learned distribution will have a representation rate and statistical rate data fairness guarantee. Unlike recent optimization based pre-processing methods, our approach can be easily adapted for continuous domain features. Furthermore, when the weak learners are specified to be decision trees, the sufficient statistics of the learned distribution can be examined to provide clues on sources of (un)fairness. Empirical results are present to display the quality of result on real-world data.

Data augmentations (DA) are the cores to achieving robust sequence-to-sequence learning on various natural language processing (NLP) tasks. However, most of the DA approaches force the decoder to make predictions conditioned on the perturbed input representation, underutilizing supervised information provided by perturbed input. In this work, we propose a framework-level robust sequence-to-sequence learning approach, named BLISS, via self-supervised input representation, which has the great potential to complement the data-level augmentation approaches. The key idea is to supervise the sequence-to-sequence framework with both the supervised ("inputrightarrowoutput") and self-supervised ("perturbed inputrightarrowinput") information. We conduct comprehensive experiments to validate the effectiveness of BLISS on various tasks, including machine translation, grammatical error correction, and text summarization. The results show that BLISS outperforms significantly the vanilla Transformer and consistently works well across tasks than the other five contrastive baselines. Extensive analyses reveal that BLISS learns robust representations and rich linguistic knowledge, confirming our claim. Source code will be released upon publication.

Implicit neural representations (INRs) use neural networks to provide continuous and resolution-independent representations of complex signals with a small number of parameters. However, existing INR models often fail to capture important frequency components specific to each task. To address this issue, in this paper, we propose a Fourier Kolmogorov Arnold network (FKAN) for INRs. The proposed FKAN utilizes learnable activation functions modeled as Fourier series in the first layer to effectively control and learn the task-specific frequency components. In addition, the activation functions with learnable Fourier coefficients improve the ability of the network to capture complex patterns and details, which is beneficial for high-resolution and high-dimensional data. Experimental results show that our proposed FKAN model outperforms three state-of-the-art baseline schemes, and improves the peak signal-to-noise ratio (PSNR) and structural similarity index measure (SSIM) for the image representation task and intersection over union (IoU) for the 3D occupancy volume representation task, respectively.

A range of recent works addresses the problem of compression of sequence of tokens into a shorter sequence of real-valued vectors to be used as inputs instead of token embeddings or key-value cache. These approaches allow to reduce the amount of compute in existing language models. Despite relying on powerful models as encoders, the maximum attainable lossless compression ratio is typically not higher than x10. This fact is highly intriguing because, in theory, the maximum information capacity of large real-valued vectors is far beyond the presented rates even for 16-bit precision and a modest vector size. In this work, we explore the limits of compression by replacing the encoder with a per-sample optimization procedure. We show that vectors with compression ratios up to x1500 exist, which highlights two orders of magnitude gap between existing and practically attainable solutions. Furthermore, we empirically show that the compression limits are determined not by the length of the input but by the amount of uncertainty to be reduced, namely, the cross-entropy loss on this sequence without any conditioning. The obtained limits highlight the substantial gap between the theoretical capacity of input embeddings and their practical utilization, suggesting significant room for optimization in model design.

In this article, we introduce a new parameterized family of topological invariants, taking the form of candidate decompositions, for multi-parameter persistence modules. We prove that our candidate decompositions are controllable approximations: when restricting to modules that can be decomposed into interval summands, we establish theoretical results about the approximation error between our candidate decompositions and the true underlying module in terms of the standard interleaving and bottleneck distances. Moreover, even when the underlying module does not admit such a decomposition, our candidate decompositions are nonetheless stable invariants; small perturbations in the underlying module lead to small perturbations in the candidate decomposition. Then, we introduce MMA (Multipersistence Module Approximation): an algorithm for computing stable instances of such invariants, which is based on fibered barcodes and exact matchings, two constructions that stem from the theory of single-parameter persistence. By design, MMA can handle an arbitrary number of filtrations, and has bounded complexity and running time. Finally, we present empirical evidence validating the generalization capabilities and running time speed-ups of MMA on several data sets.

We propose a new approach for generative modeling based on training a neural network to be idempotent. An idempotent operator is one that can be applied sequentially without changing the result beyond the initial application, namely f(f(z))=f(z). The proposed model f is trained to map a source distribution (e.g, Gaussian noise) to a target distribution (e.g. realistic images) using the following objectives: (1) Instances from the target distribution should map to themselves, namely f(x)=x. We define the target manifold as the set of all instances that f maps to themselves. (2) Instances that form the source distribution should map onto the defined target manifold. This is achieved by optimizing the idempotence term, f(f(z))=f(z) which encourages the range of f(z) to be on the target manifold. Under ideal assumptions such a process provably converges to the target distribution. This strategy results in a model capable of generating an output in one step, maintaining a consistent latent space, while also allowing sequential applications for refinement. Additionally, we find that by processing inputs from both target and source distributions, the model adeptly projects corrupted or modified data back to the target manifold. This work is a first step towards a ``global projector'' that enables projecting any input into a target data distribution.

Machine learning research has long focused on models rather than datasets, and prominent datasets are used for common ML tasks without regard to the breadth, difficulty, and faithfulness of the underlying problems. Neglecting the fundamental importance of data has given rise to inaccuracy, bias, and fragility in real-world applications, and research is hindered by saturation across existing dataset benchmarks. In response, we present DataPerf, a community-led benchmark suite for evaluating ML datasets and data-centric algorithms. We aim to foster innovation in data-centric AI through competition, comparability, and reproducibility. We enable the ML community to iterate on datasets, instead of just architectures, and we provide an open, online platform with multiple rounds of challenges to support this iterative development. The first iteration of DataPerf contains five benchmarks covering a wide spectrum of data-centric techniques, tasks, and modalities in vision, speech, acquisition, debugging, and diffusion prompting, and we support hosting new contributed benchmarks from the community. The benchmarks, online evaluation platform, and baseline implementations are open source, and the MLCommons Association will maintain DataPerf to ensure long-term benefits to academia and industry.

Neural networks often suffer from catastrophic interference (CI): performance on previously learned tasks drops off significantly when learning a new task. This contrasts strongly with humans, who can sequentially learn new tasks without appreciably forgetting previous tasks. Prior work has explored various techniques for mitigating CI such as regularization, rehearsal, generative replay, and distillation methods. The current work takes a different approach, one guided by cognitive science research showing that in naturalistic environments, the probability of encountering a task decreases as a power-law of the time since it was last performed. We argue that a realistic evaluation of techniques for the mitigation of CI should be performed in simulated naturalistic learning environments. Thus, we evaluate the extent of mitigation of CI when training simple rehearsal-based methods in power-law environments similar to the ones humans face. Our work explores this novel rehearsal-based approach for a domain-incremental task: learning permutations in the MNIST task. We compare our rehearsal environment with other baselines to show its efficacy in promoting continual learning. Additionally, we investigate whether this environment shows forward facilitation, i.e., faster learning of later tasks. Next, we explore the robustness of our learning environment to the number of tasks, model size, and amount of data rehearsed after each task. Notably, our results show that the performance is comparable or superior to that of models trained using popular regularization methods and also to rehearsals in non-power-law environments. The benefits of this training paradigm include simplicity and the lack of a need for extra neural circuitry. In addition, because our method is orthogonal to other methods, future research can combine training in power-law environments with other continual learning mechanisms.

The Mixture-of-Experts (MoE) paradigm has emerged as a powerful approach for scaling transformers with improved resource utilization. However, efficiently fine-tuning MoE models remains largely underexplored. Inspired by recent works on Parameter-Efficient Fine-Tuning (PEFT), we present a unified framework for integrating PEFT modules directly into the MoE mechanism. Aligning with the core principles and architecture of MoE, our framework encompasses a set of design dimensions including various functional and composition strategies. By combining design choices within our framework, we introduce Parameter-Efficient Routed Fine-Tuning (PERFT) as a flexible and scalable family of PEFT strategies tailored for MoE models. Extensive experiments on adapting OLMoE-1B-7B and Mixtral-8times7B for commonsense and arithmetic reasoning tasks demonstrate the effectiveness, scalability, and intriguing dynamics of PERFT. Additionally, we provide empirical findings for each specific design choice to facilitate better application of MoE and PEFT.

Graph Neural Networks (GNN) are inherently limited in their expressive power. Recent seminal works (Xu et al., 2019; Morris et al., 2019b) introduced the Weisfeiler-Lehman (WL) hierarchy as a measure of expressive power. Although this hierarchy has propelled significant advances in GNN analysis and architecture developments, it suffers from several significant limitations. These include a complex definition that lacks direct guidance for model improvement and a WL hierarchy that is too coarse to study current GNNs. This paper introduces an alternative expressive power hierarchy based on the ability of GNNs to calculate equivariant polynomials of a certain degree. As a first step, we provide a full characterization of all equivariant graph polynomials by introducing a concrete basis, significantly generalizing previous results. Each basis element corresponds to a specific multi-graph, and its computation over some graph data input corresponds to a tensor contraction problem. Second, we propose algorithmic tools for evaluating the expressiveness of GNNs using tensor contraction sequences, and calculate the expressive power of popular GNNs. Finally, we enhance the expressivity of common GNN architectures by adding polynomial features or additional operations / aggregations inspired by our theory. These enhanced GNNs demonstrate state-of-the-art results in experiments across multiple graph learning benchmarks.

We present HebDB, a weakly supervised dataset for spoken language processing in the Hebrew language. HebDB offers roughly 2500 hours of natural and spontaneous speech recordings in the Hebrew language, consisting of a large variety of speakers and topics. We provide raw recordings together with a pre-processed, weakly supervised, and filtered version. The goal of HebDB is to further enhance research and development of spoken language processing tools for the Hebrew language. Hence, we additionally provide two baseline systems for Automatic Speech Recognition (ASR): (i) a self-supervised model; and (ii) a fully supervised model. We present the performance of these two methods optimized on HebDB and compare them to current multi-lingual ASR alternatives. Results suggest the proposed method reaches better results than the evaluated baselines considering similar model sizes. Dataset, code, and models are publicly available under https://pages.cs.huji.ac.il/adiyoss-lab/HebDB/.

Given a matrix Ain R^{ntimes d} and a vector bin R^n, we consider the regression problem with ell_infty guarantees: finding a vector x'in R^d such that |x'-x^*|_infty leq epsilon{d}cdot |Ax^*-b|_2cdot |A^dagger| where x^*=argmin_{xin R^d}|Ax-b|_2. One popular approach for solving such ell_2 regression problem is via sketching: picking a structured random matrix Sin R^{mtimes n} with mll n and SA can be quickly computed, solve the ``sketched'' regression problem argmin_{xin R^d} |SAx-Sb|_2. In this paper, we show that in order to obtain such ell_infty guarantee for ell_2 regression, one has to use sketching matrices that are dense. To the best of our knowledge, this is the first user case in which dense sketching matrices are necessary. On the algorithmic side, we prove that there exists a distribution of dense sketching matrices with m=epsilon^{-2}dlog^3(n/delta) such that solving the sketched regression problem gives the ell_infty guarantee, with probability at least 1-delta. Moreover, the matrix SA can be computed in time O(ndlog n). Our row count is nearly-optimal up to logarithmic factors, and significantly improves the result in [Price, Song and Woodruff, ICALP'17], in which a super-linear in d rows, m=Omega(epsilon^{-2}d^{1+gamma}) for gamma=Theta(frac{loglog n{log d}}) is required. We also develop a novel analytical framework for ell_infty guarantee regression that utilizes the Oblivious Coordinate-wise Embedding (OCE) property introduced in [Song and Yu, ICML'21]. Our analysis is arguably much simpler and more general than [Price, Song and Woodruff, ICALP'17], and it extends to dense sketches for tensor product of vectors.

Document indexing is a key component for efficient information retrieval (IR). After preprocessing steps such as stemming and stop-word removal, document indexes usually store term-frequencies (tf). Along with tf (that only reflects the importance of a term in a document), traditional IR models use term discrimination values (TDVs) such as inverse document frequency (idf) to favor discriminative terms during retrieval. In this work, we propose to learn TDVs for document indexing with shallow neural networks that approximate traditional IR ranking functions such as TF-IDF and BM25. Our proposal outperforms, both in terms of nDCG and recall, traditional approaches, even with few positively labelled query-document pairs as learning data. Our learned TDVs, when used to filter out terms of the vocabulary that have zero discrimination value, allow to both significantly lower the memory footprint of the inverted index and speed up the retrieval process (BM25 is up to 3~times faster), without degrading retrieval quality.

Clinical notes contain information about patients that goes beyond structured data like lab values and medications. However, clinical notes have been underused relative to structured data, because notes are high-dimensional and sparse. This work develops and evaluates representations of clinical notes using bidirectional transformers (ClinicalBERT). ClinicalBERT uncovers high-quality relationships between medical concepts as judged by humans. ClinicalBert outperforms baselines on 30-day hospital readmission prediction using both discharge summaries and the first few days of notes in the intensive care unit. Code and model parameters are available.

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.

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.

Deep learning-based music source separation has gained a lot of interest in the last decades. Most of the existing methods operate with either spectrograms or waveforms. Spectrogram based models learn suitable masks for separating magnitude spectrogram into different sources, and waveform-based models directly generate waveforms of individual sources. The two types of models have complementary strengths; the former is superior given harmonic sources such as vocals, while the latter demonstrates better results for percussion and bass instruments. In this work, we improved upon the state-of-the-art (SoTA) models and successfully combined the best of both worlds. The backbones of the proposed framework, dubbed Danna-Sep, are two spectrogram-based models including a modified X-UMX and U-Net, and an enhanced Demucs as the waveform-based model. Given an input of mixture, we linearly combined respective outputs from the three models to obtain the final result. We showed in the experiments that, despite its simplicity, Danna-Sep surpassed the SoTA models by a large margin in terms of Source-to-Distortion Ratio.

This paper addresses the challenge of processing long documents using generative transformer models. To evaluate different approaches, we introduce BABILong, a new benchmark designed to assess model capabilities in extracting and processing distributed facts within extensive texts. Our evaluation, which includes benchmarks for GPT-4 and RAG, reveals that common methods are effective only for sequences up to 10^4 elements. In contrast, fine-tuning GPT-2 with recurrent memory augmentations enables it to handle tasks involving up to 10^7 elements. This achievement marks a substantial leap, as it is by far the longest input processed by any open neural network model to date, demonstrating a significant improvement in the processing capabilities for long sequences.

Does the dominant approach to learn representations (as a side effect of optimizing an expected cost for a single training distribution) remain a good approach when we are dealing with multiple distributions? Our thesis is that such scenarios are better served by representations that are richer than those obtained with a single optimization episode. We support this thesis with simple theoretical arguments and with experiments utilizing an apparently na\"{\i}ve ensembling technique: concatenating the representations obtained from multiple training episodes using the same data, model, algorithm, and hyper-parameters, but different random seeds. These independently trained networks perform similarly. Yet, in a number of scenarios involving new distributions, the concatenated representation performs substantially better than an equivalently sized network trained with a single training run. This proves that the representations constructed by multiple training episodes are in fact different. Although their concatenation carries little additional information about the training task under the training distribution, it becomes substantially more informative when tasks or distributions change. Meanwhile, a single training episode is unlikely to yield such a redundant representation because the optimization process has no reason to accumulate features that do not incrementally improve the training performance.

In this work, we introduce Boolformer, the first Transformer architecture trained to perform end-to-end symbolic regression of Boolean functions. First, we show that it can predict compact formulas for complex functions which were not seen during training, when provided a clean truth table. Then, we demonstrate its ability to find approximate expressions when provided incomplete and noisy observations. We evaluate the Boolformer on a broad set of real-world binary classification datasets, demonstrating its potential as an interpretable alternative to classic machine learning methods. Finally, we apply it to the widespread task of modelling the dynamics of gene regulatory networks. Using a recent benchmark, we show that Boolformer is competitive with state-of-the art genetic algorithms with a speedup of several orders of magnitude. Our code and models are available publicly.

Training data compositions for Large Language Models (LLMs) can significantly affect their downstream performance. However, a thorough data ablation study exploring large sets of candidate data mixtures is typically prohibitively expensive since the full effect is seen only after training the models; this can lead practitioners to settle for sub-optimal data mixtures. We propose an efficient method for approximating data ablations which trains individual models on subsets of a training corpus and reuses them across evaluations of combinations of subsets. In continued pre-training experiments, we find that, given an arbitrary evaluation set, the perplexity score of a single model trained on a candidate set of data is strongly correlated with perplexity scores of parameter averages of models trained on distinct partitions of that data. From this finding, we posit that researchers and practitioners can conduct inexpensive simulations of data ablations by maintaining a pool of models that were each trained on partitions of a large training corpus, and assessing candidate data mixtures by evaluating parameter averages of combinations of these models. This approach allows for substantial improvements in amortized training efficiency -- scaling only linearly with respect to new data -- by enabling reuse of previous training computation, opening new avenues for improving model performance through rigorous, incremental data assessment and mixing.

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.

Expanding on neural operators, we propose a novel framework for stochastic process learning across arbitrary domains. In particular, we develop operator flow matching (OFM) for learning stochastic process priors on function spaces. OFM provides the probability density of the values of any collection of points and enables mathematically tractable functional regression at new points with mean and density estimation. Our method outperforms state-of-the-art models in stochastic process learning, functional regression, and prior learning.

It is often useful to compactly summarize important properties of model parameters and training data so that they can be used later without storing and/or iterating over the entire dataset. As a specific case, we consider estimating the Function Space Distance (FSD) over a training set, i.e. the average discrepancy between the outputs of two neural networks. We propose a Linearized Activation Function TRick (LAFTR) and derive an efficient approximation to FSD for ReLU neural networks. The key idea is to approximate the architecture as a linear network with stochastic gating. Despite requiring only one parameter per unit of the network, our approach outcompetes other parametric approximations with larger memory requirements. Applied to continual learning, our parametric approximation is competitive with state-of-the-art nonparametric approximations, which require storing many training examples. Furthermore, we show its efficacy in estimating influence functions accurately and detecting mislabeled examples without expensive iterations over the entire dataset.

The assumption that response and predictor belong to the same statistical unit may be violated in practice. Unbiased estimation and recovery of true label ordering based on unlabeled data are challenging tasks and have attracted increasing attentions in the recent literature. In this paper, we present a relatively complete analysis of label permutation problem for the generalized linear model with multivariate responses. The theory is established under different scenarios, with knowledge of true parameters, with partial knowledge of underlying label permutation matrix and without any knowledge. Our results remove the stringent conditions required by the current literature and are further extended to the missing observation setting which has never been considered in the field of label permutation problem. On computational side, we propose two methods, "maximum likelihood estimation" algorithm and "two-step estimation" algorithm, to accommodate for different settings. When the proportion of permuted labels is moderate, both methods work effectively. Multiple numerical experiments are provided and corroborate our theoretical findings.

In recent years, neural networks have shown impressive performance gains on long-standing AI problems, and in particular, answering queries from natural language text. These advances raise the question of whether they can be extended to a point where we can relax the fundamental assumption of database management, namely, that our data is represented as fields of a pre-defined schema. This paper presents a first step in answering that question. We describe NeuralDB, a database system with no pre-defined schema, in which updates and queries are given in natural language. We develop query processing techniques that build on the primitives offered by the state of the art Natural Language Processing methods. We begin by demonstrating that at the core, recent NLP transformers, powered by pre-trained language models, can answer select-project-join queries if they are given the exact set of relevant facts. However, they cannot scale to non-trivial databases and cannot perform aggregation queries. Based on these findings, we describe a NeuralDB architecture that runs multiple Neural SPJ operators in parallel, each with a set of database sentences that can produce one of the answers to the query. The result of these operators is fed to an aggregation operator if needed. We describe an algorithm that learns how to create the appropriate sets of facts to be fed into each of the Neural SPJ operators. Importantly, this algorithm can be trained by the Neural SPJ operator itself. We experimentally validate the accuracy of NeuralDB and its components, showing that we can answer queries over thousands of sentences with very high accuracy.

The purpose of this work is to contribute to the understanding and improvement of deep neural networks in the field of vocal quality. A neural network that predicts the perceptual assessment of overall severity of dysphonia in GRBAS scale is obtained. The design focuses on amplitude perturbations, frequency perturbations, and noise. Results are compared with performance of human raters on the same data. Both the precision and the mean absolute error of the neural network are close to human intra-rater performance, exceeding inter-rater performance.

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.

Summarization quality evaluation is a non-trivial task in text summarization. Contemporary methods can be mainly categorized into two scenarios: (1) reference-based: evaluating with human-labeled reference summary; (2) reference-free: evaluating the summary consistency of the document. Recent studies mainly focus on one of these scenarios and explore training neural models built on PLMs to align with human criteria. However, the models from different scenarios are optimized individually, which may result in sub-optimal performance since they neglect the shared knowledge across different scenarios. Besides, designing individual models for each scenario caused inconvenience to the user. Inspired by this, we propose Unified Multi-scenario Summarization Evaluation Model (UMSE). More specifically, we propose a perturbed prefix tuning method to share cross-scenario knowledge between scenarios and use a self-supervised training paradigm to optimize the model without extra human labeling. Our UMSE is the first unified summarization evaluation framework engaged with the ability to be used in three evaluation scenarios. Experimental results across three typical scenarios on the benchmark dataset SummEval indicate that our UMSE can achieve comparable performance with several existing strong methods which are specifically designed for each scenario.

A growing body of research has demonstrated the inability of NLP models to generalize compositionally and has tried to alleviate it through specialized architectures, training schemes, and data augmentation, among other approaches. In this work, we study a different approach: training on instances with diverse structures. We propose a model-agnostic algorithm for subsampling such sets of instances from a labeled instance pool with structured outputs. Evaluating on both compositional template splits and traditional IID splits of 5 semantic parsing datasets of varying complexity, we show that structurally diverse training using our algorithm leads to comparable or better generalization than prior algorithms in 9 out of 10 dataset-split type pairs. In general, we find structural diversity to consistently improve sample efficiency compared to random train sets. Moreover, we show that structurally diverse sampling yields comprehensive test sets that are a lot more challenging than IID test sets. Finally, we provide two explanations for improved generalization from diverse train sets: 1) improved coverage of output substructures, and 2) a reduction in spurious correlations between these substructures.

We study the problem of designing models for machine learning tasks defined on sets. In contrast to traditional approach of operating on fixed dimensional vectors, we consider objective functions defined on sets that are invariant to permutations. Such problems are widespread, ranging from estimation of population statistics poczos13aistats, to anomaly detection in piezometer data of embankment dams Jung15Exploration, to cosmology Ntampaka16Dynamical,Ravanbakhsh16ICML1. Our main theorem characterizes the permutation invariant functions and provides a family of functions to which any permutation invariant objective function must belong. This family of functions has a special structure which enables us to design a deep network architecture that can operate on sets and which can be deployed on a variety of scenarios including both unsupervised and supervised learning tasks. We also derive the necessary and sufficient conditions for permutation equivariance in deep models. We demonstrate the applicability of our method on population statistic estimation, point cloud classification, set expansion, and outlier detection.

Modern foundation models rely heavily on using scaling laws to guide crucial training decisions. Researchers often extrapolate the optimal architecture and hyper parameters settings from smaller training runs by describing the relationship between, loss, or task performance, and scale. All components of this process vary, from the specific equation being fit, to the training setup, to the optimization method. Each of these factors may affect the fitted law, and therefore, the conclusions of a given study. We discuss discrepancies in the conclusions that several prior works reach, on questions such as the optimal token to parameter ratio. We augment this discussion with our own analysis of the critical impact that changes in specific details may effect in a scaling study, and the resulting altered conclusions. Additionally, we survey over 50 papers that study scaling trends: while 45 of these papers quantify these trends using a power law, most under-report crucial details needed to reproduce their findings. To mitigate this, we we propose a checklist for authors to consider while contributing to scaling law research.

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.

We examine the geometry of neural network training using the Jacobian of trained network parameters with respect to their initial values. Our analysis reveals low-dimensional structure in the training process which is dependent on the input data but largely independent of the labels. We find that the singular value spectrum of the Jacobian matrix consists of three distinctive regions: a "chaotic" region of values orders of magnitude greater than one, a large "bulk" region of values extremely close to one, and a "stable" region of values less than one. Along each bulk direction, the left and right singular vectors are nearly identical, indicating that perturbations to the initialization are carried through training almost unchanged. These perturbations have virtually no effect on the network's output in-distribution, yet do have an effect far out-of-distribution. While the Jacobian applies only locally around a single initialization, we find substantial overlap in bulk subspaces for different random seeds. Our code is available at https://github.com/EleutherAI/training-jacobian

Recently, Ainsworth et al. showed that using weight matching (WM) to minimize the L_2 distance in a permutation search of model parameters effectively identifies permutations that satisfy linear mode connectivity (LMC), in which the loss along a linear path between two independently trained models with different seeds remains nearly constant. This paper provides a theoretical analysis of LMC using WM, which is crucial for understanding stochastic gradient descent's effectiveness and its application in areas like model merging. We first experimentally and theoretically show that permutations found by WM do not significantly reduce the L_2 distance between two models and the occurrence of LMC is not merely due to distance reduction by WM in itself. We then provide theoretical insights showing that permutations can change the directions of the singular vectors, but not the singular values, of the weight matrices in each layer. This finding shows that permutations found by WM mainly align the directions of singular vectors associated with large singular values across models. This alignment brings the singular vectors with large singular values, which determine the model functionality, closer between pre-merged and post-merged models, so that the post-merged model retains functionality similar to the pre-merged models, making it easy to satisfy LMC. Finally, we analyze the difference between WM and straight-through estimator (STE), a dataset-dependent permutation search method, and show that WM outperforms STE, especially when merging three or more models.

Bagging is an important technique for stabilizing machine learning models. In this paper, we derive a finite-sample guarantee on the stability of bagging for any model. Our result places no assumptions on the distribution of the data, on the properties of the base algorithm, or on the dimensionality of the covariates. Our guarantee applies to many variants of bagging and is optimal up to a constant. Empirical results validate our findings, showing that bagging successfully stabilizes even highly unstable base algorithms.

Sparsity in the structure of Neural Networks can lead to less energy consumption, less memory usage, faster computation times on convenient hardware, and automated machine learning. If sparsity gives rise to certain kinds of structure, it can explain automatically obtained features during learning. We provide insights into experiments in which we show how sparsity can be achieved through prior initialization, pruning, and during learning, and answer questions on the relationship between the structure of Neural Networks and their performance. This includes the first work of inducing priors from network theory into Recurrent Neural Networks and an architectural performance prediction during a Neural Architecture Search. Within our experiments, we show how magnitude class blinded pruning achieves 97.5% on MNIST with 80% compression and re-training, which is 0.5 points more than without compression, that magnitude class uniform pruning is significantly inferior to it and how a genetic search enhanced with performance prediction achieves 82.4% on CIFAR10. Further, performance prediction for Recurrent Networks learning the Reber grammar shows an R^2 of up to 0.81 given only structural information.

Multivariate probabilistic time series forecasts are commonly evaluated via proper scoring rules, i.e., functions that are minimal in expectation for the ground-truth distribution. However, this property is not sufficient to guarantee good discrimination in the non-asymptotic regime. In this paper, we provide the first systematic finite-sample study of proper scoring rules for time-series forecasting evaluation. Through a power analysis, we identify the "region of reliability" of a scoring rule, i.e., the set of practical conditions where it can be relied on to identify forecasting errors. We carry out our analysis on a comprehensive synthetic benchmark, specifically designed to test several key discrepancies between ground-truth and forecast distributions, and we gauge the generalizability of our findings to real-world tasks with an application to an electricity production problem. Our results reveal critical shortcomings in the evaluation of multivariate probabilistic forecasts as commonly performed in the literature.

We study the data selection problem, whose aim is to select a small representative subset of data that can be used to efficiently train a machine learning model. We present a new data selection approach based on k-means clustering and sensitivity sampling. Assuming access to an embedding representation of the data with respect to which the model loss is H\"older continuous, our approach provably allows selecting a set of ``typical'' k + 1/varepsilon^2 elements whose average loss corresponds to the average loss of the whole dataset, up to a multiplicative (1pmvarepsilon) factor and an additive varepsilon lambda Phi_k, where Phi_k represents the k-means cost for the input embeddings and lambda is the H\"older constant. We furthermore demonstrate the performance and scalability of our approach on fine-tuning foundation models and show that it outperforms state-of-the-art methods. We also show how it can be applied on linear regression, leading to a new sampling strategy that surprisingly matches the performances of leverage score sampling, while being conceptually simpler and more scalable.

We consider the general class of time-homogeneous stochastic dynamical systems, both discrete and continuous, and study the problem of learning a representation of the state that faithfully captures its dynamics. This is instrumental to learning the transfer operator or the generator of the system, which in turn can be used for numerous tasks, such as forecasting and interpreting the system dynamics. We show that the search for a good representation can be cast as an optimization problem over neural networks. Our approach is supported by recent results in statistical learning theory, highlighting the role of approximation error and metric distortion in the learning problem. The objective function we propose is associated with projection operators from the representation space to the data space, overcomes metric distortion, and can be empirically estimated from data. In the discrete-time setting, we further derive a relaxed objective function that is differentiable and numerically well-conditioned. We compare our method against state-of-the-art approaches on different datasets, showing better performance across the board.

Node features and structural information of a graph are both crucial for semi-supervised node classification problems. A variety of graph neural network (GNN) based approaches have been proposed to tackle these problems, which typically determine output labels through feature aggregation. This can be problematic, as it implies conditional independence of output nodes given hidden representations, despite their direct connections in the graph. To learn the direct influence among output nodes in a graph, we propose the Explicit Pairwise Factorized Graph Neural Network (EPFGNN), which models the whole graph as a partially observed Markov Random Field. It contains explicit pairwise factors to model output-output relations and uses a GNN backbone to model input-output relations. To balance model complexity and expressivity, the pairwise factors have a shared component and a separate scaling coefficient for each edge. We apply the EM algorithm to train our model, and utilize a star-shaped piecewise likelihood for the tractable surrogate objective. We conduct experiments on various datasets, which shows that our model can effectively improve the performance for semi-supervised node classification on graphs.

Summarization models often generate text that is poorly calibrated to quality metrics because they are trained to maximize the likelihood of a single reference (MLE). To address this, recent work has added a calibration step, which exposes a model to its own ranked outputs to improve relevance or, in a separate line of work, contrasts positive and negative sets to improve faithfulness. While effective, much of this work has focused on how to generate and optimize these sets. Less is known about why one setup is more effective than another. In this work, we uncover the underlying characteristics of effective sets. For each training instance, we form a large, diverse pool of candidates and systematically vary the subsets used for calibration fine-tuning. Each selection strategy targets distinct aspects of the sets, such as lexical diversity or the size of the gap between positive and negatives. On three diverse scientific long-form summarization datasets (spanning biomedical, clinical, and chemical domains), we find, among others, that faithfulness calibration is optimal when the negative sets are extractive and more likely to be generated, whereas for relevance calibration, the metric margin between candidates should be maximized and surprise--the disagreement between model and metric defined candidate rankings--minimized. Code to create, select, and optimize calibration sets is available at https://github.com/griff4692/calibrating-summaries

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.

Machine learning has demonstrated remarkable performance over finite datasets, yet whether the scores over the fixed benchmarks can sufficiently indicate the model's performance in the real world is still in discussion. In reality, an ideal robust model will probably behave similarly to the oracle (e.g., the human users), thus a good evaluation protocol is probably to evaluate the models' behaviors in comparison to the oracle. In this paper, we introduce a new robustness measurement that directly measures the image classification model's performance compared with a surrogate oracle (i.e., a foundation model). Besides, we design a simple method that can accomplish the evaluation beyond the scope of the benchmarks. Our method extends the image datasets with new samples that are sufficiently perturbed to be distinct from the ones in the original sets, but are still bounded within the same image-label structure the original test image represents, constrained by a foundation model pretrained with a large amount of samples. As a result, our new method will offer us a new way to evaluate the models' robustness performance, free of limitations of fixed benchmarks or constrained perturbations, although scoped by the power of the oracle. In addition to the evaluation results, we also leverage our generated data to understand the behaviors of the model and our new evaluation strategies.

Deep models have achieved impressive progress in solving partial differential equations (PDEs). A burgeoning paradigm is learning neural operators to approximate the input-output mappings of PDEs. While previous deep models have explored the multiscale architectures and various operator designs, they are limited to learning the operators as a whole in the coordinate space. In real physical science problems, PDEs are complex coupled equations with numerical solvers relying on discretization into high-dimensional coordinate space, which cannot be precisely approximated by a single operator nor efficiently learned due to the curse of dimensionality. We present Latent Spectral Models (LSM) toward an efficient and precise solver for high-dimensional PDEs. Going beyond the coordinate space, LSM enables an attention-based hierarchical projection network to reduce the high-dimensional data into a compact latent space in linear time. Inspired by classical spectral methods in numerical analysis, we design a neural spectral block to solve PDEs in the latent space that approximates complex input-output mappings via learning multiple basis operators, enjoying nice theoretical guarantees for convergence and approximation. Experimentally, LSM achieves consistent state-of-the-art and yields a relative gain of 11.5% averaged on seven benchmarks covering both solid and fluid physics. Code is available at https://github.com/thuml/Latent-Spectral-Models.

Dense document embeddings are central to neural retrieval. The dominant paradigm is to train and construct embeddings by running encoders directly on individual documents. In this work, we argue that these embeddings, while effective, are implicitly out-of-context for targeted use cases of retrieval, and that a contextualized document embedding should take into account both the document and neighboring documents in context - analogous to contextualized word embeddings. We propose two complementary methods for contextualized document embeddings: first, an alternative contrastive learning objective that explicitly incorporates the document neighbors into the intra-batch contextual loss; second, a new contextual architecture that explicitly encodes neighbor document information into the encoded representation. Results show that both methods achieve better performance than biencoders in several settings, with differences especially pronounced out-of-domain. We achieve state-of-the-art results on the MTEB benchmark with no hard negative mining, score distillation, dataset-specific instructions, intra-GPU example-sharing, or extremely large batch sizes. Our method can be applied to improve performance on any contrastive learning dataset and any biencoder.

With the increasing computational costs associated with deep learning, automated hyperparameter optimization methods, strongly relying on black-box Bayesian optimization (BO), face limitations. Freeze-thaw BO offers a promising grey-box alternative, strategically allocating scarce resources incrementally to different configurations. However, the frequent surrogate model updates inherent to this approach pose challenges for existing methods, requiring retraining or fine-tuning their neural network surrogates online, introducing overhead, instability, and hyper-hyperparameters. In this work, we propose FT-PFN, a novel surrogate for Freeze-thaw style BO. FT-PFN is a prior-data fitted network (PFN) that leverages the transformers' in-context learning ability to efficiently and reliably do Bayesian learning curve extrapolation in a single forward pass. Our empirical analysis across three benchmark suites shows that the predictions made by FT-PFN are more accurate and 10-100 times faster than those of the deep Gaussian process and deep ensemble surrogates used in previous work. Furthermore, we show that, when combined with our novel acquisition mechanism (MFPI-random), the resulting in-context freeze-thaw BO method (ifBO), yields new state-of-the-art performance in the same three families of deep learning HPO benchmarks considered in prior work.

Generating functions, which are widely used in combinatorics and probability theory, encode function values into the coefficients of a polynomial. In this paper, we explore their use as a tractable probabilistic model, and propose probabilistic generating circuits (PGCs) for their efficient representation. PGCs are strictly more expressive efficient than many existing tractable probabilistic models, including determinantal point processes (DPPs), probabilistic circuits (PCs) such as sum-product networks, and tractable graphical models. We contend that PGCs are not just a theoretical framework that unifies vastly different existing models, but also show great potential in modeling realistic data. We exhibit a simple class of PGCs that are not trivially subsumed by simple combinations of PCs and DPPs, and obtain competitive performance on a suite of density estimation benchmarks. We also highlight PGCs' connection to the theory of strongly Rayleigh distributions.

The increasing use of foundation models highlights the urgent need to address and eliminate implicit biases present in them that arise during pretraining. In this paper, we introduce PEFTDebias, a novel approach that employs parameter-efficient fine-tuning (PEFT) to mitigate the biases within foundation models. PEFTDebias consists of two main phases: an upstream phase for acquiring debiasing parameters along a specific bias axis, and a downstream phase where these parameters are incorporated into the model and frozen during the fine-tuning process. By evaluating on four datasets across two bias axes namely gender and race, we find that downstream biases can be effectively reduced with PEFTs. In addition, we show that these parameters possess axis-specific debiasing characteristics, enabling their effective transferability in mitigating biases in various downstream tasks. To ensure reproducibility, we release the code to do our experiments.

Denoising Diffusion Probabilistic Models have shown an impressive generation quality, although their long sampling chain leads to high computational costs. In this paper, we observe that a long sampling chain also leads to an error accumulation phenomenon, which is similar to the exposure bias problem in autoregressive text generation. Specifically, we note that there is a discrepancy between training and testing, since the former is conditioned on the ground truth samples, while the latter is conditioned on the previously generated results. To alleviate this problem, we propose a very simple but effective training regularization, consisting in perturbing the ground truth samples to simulate the inference time prediction errors. We empirically show that, without affecting the recall and precision, the proposed input perturbation leads to a significant improvement in the sample quality while reducing both the training and the inference times. For instance, on CelebA 64times64, we achieve a new state-of-the-art FID score of 1.27, while saving 37.5% of the training time. The code is publicly available at https://github.com/forever208/DDPM-IP

Seven years ago, researchers proposed a postprocessing method to equalize the error rates of a model across different demographic groups. The work launched hundreds of papers purporting to improve over the postprocessing baseline. We empirically evaluate these claims through thousands of model evaluations on several tabular datasets. We find that the fairness-accuracy Pareto frontier achieved by postprocessing contains all other methods we were feasibly able to evaluate. In doing so, we address two common methodological errors that have confounded previous observations. One relates to the comparison of methods with different unconstrained base models. The other concerns methods achieving different levels of constraint relaxation. At the heart of our study is a simple idea we call unprocessing that roughly corresponds to the inverse of postprocessing. Unprocessing allows for a direct comparison of methods using different underlying models and levels of relaxation.

Neural embedding models have become a fundamental component of modern information retrieval (IR) pipelines. These models produce a single embedding x in R^d per data-point, allowing for fast retrieval via highly optimized maximum inner product search (MIPS) algorithms. Recently, beginning with the landmark ColBERT paper, multi-vector models, which produce a set of embedding per data point, have achieved markedly superior performance for IR tasks. Unfortunately, using these models for IR is computationally expensive due to the increased complexity of multi-vector retrieval and scoring. In this paper, we introduce MUVERA (MUlti-VEctor Retrieval Algorithm), a retrieval mechanism which reduces multi-vector similarity search to single-vector similarity search. This enables the usage of off-the-shelf MIPS solvers for multi-vector retrieval. MUVERA asymmetrically generates Fixed Dimensional Encodings (FDEs) of queries and documents, which are vectors whose inner product approximates multi-vector similarity. We prove that FDEs give high-quality epsilon-approximations, thus providing the first single-vector proxy for multi-vector similarity with theoretical guarantees. Empirically, we find that FDEs achieve the same recall as prior state-of-the-art heuristics while retrieving 2-5times fewer candidates. Compared to prior state of the art implementations, MUVERA achieves consistently good end-to-end recall and latency across a diverse set of the BEIR retrieval datasets, achieving an average of 10% improved recall with 90% lower latency.

Machine learning models are often tuned by nesting optimization of model weights inside the optimization of hyperparameters. We give a method to collapse this nested optimization into joint stochastic optimization of weights and hyperparameters. Our process trains a neural network to output approximately optimal weights as a function of hyperparameters. We show that our technique converges to locally optimal weights and hyperparameters for sufficiently large hypernetworks. We compare this method to standard hyperparameter optimization strategies and demonstrate its effectiveness for tuning thousands of hyperparameters.

Analyzing the pattern of semantic variation in long real-world texts such as books or transcripts is interesting from the stylistic, cognitive, and linguistic perspectives. It is also useful for applications such as text segmentation, document summarization, and detection of semantic novelty. The recent emergence of several vector-space methods for sentence embedding has made such analysis feasible. However, this raises the issue of how consistent and meaningful the semantic representations produced by various methods are in themselves. In this paper, we compare several recent sentence embedding methods via time-series of semantic similarity between successive sentences and matrices of pairwise sentence similarity for multiple books of literature. In contrast to previous work using target tasks and curated datasets to compare sentence embedding methods, our approach provides an evaluation of the methods 'in the wild'. We find that most of the sentence embedding methods considered do infer highly correlated patterns of semantic similarity in a given document, but show interesting differences.

We study the fractal structure of language, aiming to provide a precise formalism for quantifying properties that may have been previously suspected but not formally shown. We establish that language is: (1) self-similar, exhibiting complexities at all levels of granularity, with no particular characteristic context length, and (2) long-range dependent (LRD), with a Hurst parameter of approximately H=0.70. Based on these findings, we argue that short-term patterns/dependencies in language, such as in paragraphs, mirror the patterns/dependencies over larger scopes, like entire documents. This may shed some light on how next-token prediction can lead to a comprehension of the structure of text at multiple levels of granularity, from words and clauses to broader contexts and intents. We also demonstrate that fractal parameters improve upon perplexity-based bits-per-byte (BPB) in predicting downstream performance. We hope these findings offer a fresh perspective on language and the mechanisms underlying the success of LLMs.

Frequency analysis is useful for understanding the mechanisms of representation learning in neural networks (NNs). Most research in this area focuses on the learning dynamics of NNs for regression tasks, while little for classification. This study empirically investigates the latter and expands the understanding of frequency shortcuts. First, we perform experiments on synthetic datasets, designed to have a bias in different frequency bands. Our results demonstrate that NNs tend to find simple solutions for classification, and what they learn first during training depends on the most distinctive frequency characteristics, which can be either low- or high-frequencies. Second, we confirm this phenomenon on natural images. We propose a metric to measure class-wise frequency characteristics and a method to identify frequency shortcuts. The results show that frequency shortcuts can be texture-based or shape-based, depending on what best simplifies the objective. Third, we validate the transferability of frequency shortcuts on out-of-distribution (OOD) test sets. Our results suggest that frequency shortcuts can be transferred across datasets and cannot be fully avoided by larger model capacity and data augmentation. We recommend that future research should focus on effective training schemes mitigating frequency shortcut learning.

We show that autoregressive language models can learn to infill text after we apply a straightforward transformation to the dataset, which simply moves a span of text from the middle of a document to its end. While this data augmentation has garnered much interest in recent years, we provide extensive evidence that training models with a large fraction of data transformed in this way does not harm the original left-to-right generative capability, as measured by perplexity and sampling evaluations across a wide range of scales. Given the usefulness, simplicity, and efficiency of training models to fill-in-the-middle (FIM), we suggest that future autoregressive language models be trained with FIM by default. To this end, we run a series of ablations on key hyperparameters, such as the data transformation frequency, the structure of the transformation, and the method of selecting the infill span. We use these ablations to prescribe strong default settings and best practices to train FIM models. We have released our best infilling model trained with best practices in our API, and release our infilling benchmarks to aid future research.

Learning in weight spaces, where neural networks process the weights of other deep neural networks, has emerged as a promising research direction with applications in various fields, from analyzing and editing neural fields and implicit neural representations, to network pruning and quantization. Recent works designed architectures for effective learning in that space, which takes into account its unique, permutation-equivariant, structure. Unfortunately, so far these architectures suffer from severe overfitting and were shown to benefit from large datasets. This poses a significant challenge because generating data for this learning setup is laborious and time-consuming since each data sample is a full set of network weights that has to be trained. In this paper, we address this difficulty by investigating data augmentations for weight spaces, a set of techniques that enable generating new data examples on the fly without having to train additional input weight space elements. We first review several recently proposed data augmentation schemes %that were proposed recently and divide them into categories. We then introduce a novel augmentation scheme based on the Mixup method. We evaluate the performance of these techniques on existing benchmarks as well as new benchmarks we generate, which can be valuable for future studies.

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."

We present and release MIDI-GPT, a generative system based on the Transformer architecture that is designed for computer-assisted music composition workflows. MIDI-GPT supports the infilling of musical material at the track and bar level, and can condition generation on attributes including: instrument type, musical style, note density, polyphony level, and note duration. In order to integrate these features, we employ an alternative representation for musical material, creating a time-ordered sequence of musical events for each track and concatenating several tracks into a single sequence, rather than using a single time-ordered sequence where the musical events corresponding to different tracks are interleaved. We also propose a variation of our representation allowing for expressiveness. We present experimental results that demonstrate that MIDI-GPT is able to consistently avoid duplicating the musical material it was trained on, generate music that is stylistically similar to the training dataset, and that attribute controls allow enforcing various constraints on the generated material. We also outline several real-world applications of MIDI-GPT, including collaborations with industry partners that explore the integration and evaluation of MIDI-GPT into commercial products, as well as several artistic works produced using it.

The Kov\'ats Retention index (RI) is a quantity measured using gas chromatography and commonly used in the identification of chemical structures. Creating libraries of observed RI values is a laborious task, so we explore the use of a deep neural network for predicting RI values from structure for standard semipolar columns. This network generated predictions with a mean absolute error of 15.1 and, in a quantification of the tail of the error distribution, a 95th percentile absolute error of 46.5. Because of the Artificial Intelligence Retention Indices (AIRI) network's accuracy, it was used to predict RI values for the NIST EI-MS spectral libraries. These RI values are used to improve chemical identification methods and the quality of the library. Estimating uncertainty is an important practical need when using prediction models. To quantify the uncertainty of our network for each individual prediction, we used the outputs of an ensemble of 8 networks to calculate a predicted standard deviation for each RI value prediction. This predicted standard deviation was corrected to follow the error between observed and predicted RI values. The Z scores using these predicted standard deviations had a standard deviation of 1.52 and a 95th percentile absolute Z score corresponding to a mean RI value of 42.6.

Parameter-efficient fine-tuning optimizes large, pre-trained foundation models by updating a subset of parameters; in this class, Low-Rank Adaptation (LoRA) is particularly effective. Inspired by an effort to investigate the different roles of LoRA matrices during fine-tuning, this paper characterizes and leverages unexpected asymmetry in the importance of low-rank adapter matrices. Specifically, when updating the parameter matrices of a neural network by adding a product BA, we observe that the B and A matrices have distinct functions: A extracts features from the input, while B uses these features to create the desired output. Based on this observation, we demonstrate that fine-tuning B is inherently more effective than fine-tuning A, and that a random untrained A should perform nearly as well as a fine-tuned one. Using an information-theoretic lens, we also bound the generalization of low-rank adapters, showing that the parameter savings of exclusively training B improves the bound. We support our conclusions with experiments on RoBERTa, BART-Large, LLaMA-2, and ViTs.

We propose a new score-based model with one-step sampling. Previously, score-based models were burdened with heavy computations due to iterative sampling. For substituting the iterative process, we train a standalone generator to compress all the time steps with the gradient backpropagated from the score network. In order to produce meaningful gradients for the generator, the score network is trained to simultaneously match the real data distribution and mismatch the fake data distribution. This model has the following advantages: 1) For sampling, it generates a fake image with only one step forward. 2) For training, it only needs 10 diffusion steps.3) Compared with consistency model, it is free of the ill-posed problem caused by consistency loss. On the popular CIFAR-10 dataset, our model outperforms Consistency Model and Denoising Score Matching, which demonstrates the potential of the framework. We further provide more examples on the MINIST and LSUN datasets. The code is available on GitHub.

In this work, we tackle the problem of structured text generation, specifically academic paper generation in $, inspired by the surprisingly good results of basic character-level language models. Our motivation is using more recent and advanced methods of language modeling on a more complex dataset of source files to generate realistic academic papers. Our first contribution is preparing a dataset with source files on recent open-source computer vision papers. Our second contribution is experimenting with recent methods of language modeling and text generation such as Transformer and Transformer-XL to generate consistent code. We report cross-entropy and bits-per-character (BPC) results of the trained models, and we also discuss interesting points on some examples of the generated $ code.

Going beyond stochastic gradient descent (SGD), what new phenomena emerge in wide neural networks trained by adaptive optimizers like Adam? Here we show: The same dichotomy between feature learning and kernel behaviors (as in SGD) holds for general optimizers as well, including Adam -- albeit with a nonlinear notion of "kernel." We derive the corresponding "neural tangent" and "maximal update" limits for any architecture. Two foundational advances underlie the above results: 1) A new Tensor Program language, NEXORT, that can express how adaptive optimizers process gradients into updates. 2) The introduction of bra-ket notation to drastically simplify expressions and calculations in Tensor Programs. This work summarizes and generalizes all previous results in the Tensor Programs series of papers.

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.

In several recently proposed stochastic optimization methods (e.g. RMSProp, Adam, Adadelta), parameter updates are scaled by the inverse square roots of exponential moving averages of squared past gradients. Maintaining these per-parameter second-moment estimators requires memory equal to the number of parameters. For the case of neural network weight matrices, we propose maintaining only the per-row and per-column sums of these moving averages, and estimating the per-parameter second moments based on these sums. We demonstrate empirically that this method produces similar results to the baseline. Secondly, we show that adaptive methods can produce larger-than-desired updates when the decay rate of the second moment accumulator is too slow. We propose update clipping and a gradually increasing decay rate scheme as remedies. Combining these methods and dropping momentum, we achieve comparable results to the published Adam regime in training the Transformer model on the WMT 2014 English-German machine translation task, while using very little auxiliary storage in the optimizer. Finally, we propose scaling the parameter updates based on the scale of the parameters themselves.

We present the task description of the Detection and Classification of Acoustic Scenes and Events (DCASE) 2023 Challenge Task 2: ``First-shot unsupervised anomalous sound detection (ASD) for machine condition monitoring''. The main goal is to enable rapid deployment of ASD systems for new kinds of machines without the need for hyperparameter tuning. In the past ASD tasks, developed methods tuned hyperparameters for each machine type, as the development and evaluation datasets had the same machine types. However, collecting normal and anomalous data as the development dataset can be infeasible in practice. In 2023 Task 2, we focus on solving the first-shot problem, which is the challenge of training a model on a completely novel machine type. Specifically, (i) each machine type has only one section (a subset of machine type) and (ii) machine types in the development and evaluation datasets are completely different. Analysis of 86 submissions from 23 teams revealed that the keys to outperform baselines were: 1) sampling techniques for dealing with class imbalances across different domains and attributes, 2) generation of synthetic samples for robust detection, and 3) use of multiple large pre-trained models to extract meaningful embeddings for the anomaly detector.

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.

Modern representation learning methods often struggle to adapt quickly under non-stationarity because they suffer from catastrophic forgetting and decaying plasticity. Such problems prevent learners from fast adaptation since they may forget useful features or have difficulty learning new ones. Hence, these methods are rendered ineffective for continual learning. This paper proposes Utility-based Perturbed Gradient Descent (UPGD), an online learning algorithm well-suited for continual learning agents. UPGD protects useful weights or features from forgetting and perturbs less useful ones based on their utilities. Our empirical results show that UPGD helps reduce forgetting and maintain plasticity, enabling modern representation learning methods to work effectively in continual learning.

We develop tools for explicitly constructing categories enriched over generating data and that compose via ordinary scalar and matrix arithmetic arithmetic operations. We characterize meaningful size maps, weightings, and magnitude that reveal features analogous to outliers that these same notions have previously been shown to reveal in the context of metric spaces. Throughout, we provide examples of such "outlier detection" relevant to the analysis of computer programs, neural networks, cyber-physical systems, and networks of communications channels.

In our era of enormous neural networks, empirical progress has been driven by the philosophy that more is better. Recent deep learning practice has found repeatedly that larger model size, more data, and more computation (resulting in lower training loss) improves performance. In this paper, we give theoretical backing to these empirical observations by showing that these three properties hold in random feature (RF) regression, a class of models equivalent to shallow networks with only the last layer trained. Concretely, we first show that the test risk of RF regression decreases monotonically with both the number of features and the number of samples, provided the ridge penalty is tuned optimally. In particular, this implies that infinite width RF architectures are preferable to those of any finite width. We then proceed to demonstrate that, for a large class of tasks characterized by powerlaw eigenstructure, training to near-zero training loss is obligatory: near-optimal performance can only be achieved when the training error is much smaller than the test error. Grounding our theory in real-world data, we find empirically that standard computer vision tasks with convolutional neural tangent kernels clearly fall into this class. Taken together, our results tell a simple, testable story of the benefits of overparameterization, overfitting, and more data in random feature models.

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.

We introduce ProofNet, a benchmark for autoformalization and formal proving of undergraduate-level mathematics. The ProofNet benchmarks consists of 371 examples, each consisting of a formal theorem statement in Lean 3, a natural language theorem statement, and a natural language proof. The problems are primarily drawn from popular undergraduate pure mathematics textbooks and cover topics such as real and complex analysis, linear algebra, abstract algebra, and topology. We intend for ProofNet to be a challenging benchmark that will drive progress in autoformalization and automatic theorem proving. We report baseline results on statement autoformalization via in-context learning. Moreover, we introduce two novel statement autoformalization methods: prompt retrieval and distilled backtranslation.

In this study, we propose Feature-aligned N-BEATS as a domain generalization model for univariate time series forecasting problems. The proposed model is an extension of the doubly residual stacking architecture of N-BEATS (Oreshkin et al. [34]) into a representation learning framework. The model is a new structure that involves marginal feature probability measures (i.e., pushforward measures of multiple source domains) induced by the intricate composition of residual operators of N-BEATS in each stack and aligns them stack-wise via an entropic regularized Wasserstein distance referred to as the Sinkhorn divergence (Genevay et al. [14]). The loss function consists of a typical forecasting loss for multiple source domains and an alignment loss calculated with the Sinkhorn divergence, which allows the model to learn invariant features stack-wise across multiple source data sequences while retaining N-BEATS's interpretable design. We conduct a comprehensive experimental evaluation of the proposed approach and the results demonstrate the model's forecasting and generalization capabilities in comparison with methods based on the original N-BEATS.

Currently, it is hard to reap the benefits of deep learning for Bayesian methods, which allow the explicit specification of prior knowledge and accurately capture model uncertainty. We present Prior-Data Fitted Networks (PFNs). PFNs leverage large-scale machine learning techniques to approximate a large set of posteriors. The only requirement for PFNs to work is the ability to sample from a prior distribution over supervised learning tasks (or functions). Our method restates the objective of posterior approximation as a supervised classification problem with a set-valued input: it repeatedly draws a task (or function) from the prior, draws a set of data points and their labels from it, masks one of the labels and learns to make probabilistic predictions for it based on the set-valued input of the rest of the data points. Presented with a set of samples from a new supervised learning task as input, PFNs make probabilistic predictions for arbitrary other data points in a single forward propagation, having learned to approximate Bayesian inference. We demonstrate that PFNs can near-perfectly mimic Gaussian processes and also enable efficient Bayesian inference for intractable problems, with over 200-fold speedups in multiple setups compared to current methods. We obtain strong results in very diverse areas such as Gaussian process regression, Bayesian neural networks, classification for small tabular data sets, and few-shot image classification, demonstrating the generality of PFNs. Code and trained PFNs are released at https://github.com/automl/TransformersCanDoBayesianInference.

There is a growing concern that learned conditional generative models may output samples that are substantially similar to some copyrighted data C that was in their training set. We give a formal definition of near access-freeness (NAF) and prove bounds on the probability that a model satisfying this definition outputs a sample similar to C, even if C is included in its training set. Roughly speaking, a generative model p is $k-NAF if for every potentially copyrighted data C, the output of p diverges by at most k-bits from the output of a model q that did not access C at all$. We also give generative model learning algorithms, which efficiently modify the original generative model learning algorithm in a black box manner, that output generative models with strong bounds on the probability of sampling protected content. Furthermore, we provide promising experiments for both language (transformers) and image (diffusion) generative models, showing minimal degradation in output quality while ensuring strong protections against sampling protected content.

State-of-the-art methods for conditional average treatment effect (CATE) estimation make widespread use of representation learning. Here, the idea is to reduce the variance of the low-sample CATE estimation by a (potentially constrained) low-dimensional representation. However, low-dimensional representations can lose information about the observed confounders and thus lead to bias, because of which the validity of representation learning for CATE estimation is typically violated. In this paper, we propose a new, representation-agnostic framework for estimating bounds on the representation-induced confounding bias that comes from dimensionality reduction (or other constraints on the representations) in CATE estimation. First, we establish theoretically under which conditions CATEs are non-identifiable given low-dimensional (constrained) representations. Second, as our remedy, we propose to perform partial identification of CATEs or, equivalently, aim at estimating of lower and upper bounds of the representation-induced confounding bias. We demonstrate the effectiveness of our bounds in a series of experiments. In sum, our framework is of direct relevance in practice where the validity of CATE estimation is of importance.

Automated math word problem solvers based on neural networks have successfully managed to obtain 70-80\% accuracy in solving arithmetic word problems. However, it has been shown that these solvers may rely on superficial patterns to obtain their equations. In order to determine what information math word problem solvers use to generate solutions, we remove parts of the input and measure the model's performance on the perturbed dataset. Our results show that the model is not sensitive to the removal of many words from the input and can still manage to find a correct answer when given a nonsense question. This indicates that automatic solvers do not follow the semantic logic of math word problems, and may be overfitting to the presence of specific words.

Hypernetworks, neural networks that predict the parameters of another neural network, are powerful models that have been successfully used in diverse applications from image generation to multi-task learning. Unfortunately, existing hypernetworks are often challenging to train. Training typically converges far more slowly than for non-hypernetwork models, and the rate of convergence can be very sensitive to hyperparameter choices. In this work, we identify a fundamental and previously unidentified problem that contributes to the challenge of training hypernetworks: a magnitude proportionality between the inputs and outputs of the hypernetwork. We demonstrate both analytically and empirically that this can lead to unstable optimization, thereby slowing down convergence, and sometimes even preventing any learning. We present a simple solution to this problem using a revised hypernetwork formulation that we call Magnitude Invariant Parametrizations (MIP). We demonstrate the proposed solution on several hypernetwork tasks, where it consistently stabilizes training and achieves faster convergence. Furthermore, we perform a comprehensive ablation study including choices of activation function, normalization strategies, input dimensionality, and hypernetwork architecture; and find that MIP improves training in all scenarios. We provide easy-to-use code that can turn existing networks into MIP-based hypernetworks.

Modelling compositional meaning for sentences using empirical distributional methods has been a challenge for computational linguists. We implement the abstract categorical model of Coecke et al. (arXiv:1003.4394v1 [cs.CL]) using data from the BNC and evaluate it. The implementation is based on unsupervised learning of matrices for relational words and applying them to the vectors of their arguments. The evaluation is based on the word disambiguation task developed by Mitchell and Lapata (2008) for intransitive sentences, and on a similar new experiment designed for transitive sentences. Our model matches the results of its competitors in the first experiment, and betters them in the second. The general improvement in results with increase in syntactic complexity showcases the compositional power of our model.

The large number of parameters in Pretrained Language Models enhance their performance, but also make them resource-intensive, making it challenging to deploy them on commodity hardware like a single GPU. Due to the memory and power limitations of these devices, model compression techniques are often used to decrease both the model's size and its inference latency. This usually results in a trade-off between model accuracy and efficiency. Therefore, optimizing this balance is essential for effectively deploying LLMs on commodity hardware. A significant portion of the efficiency challenge is the Feed-forward network (FFN) component, which accounts for roughly 2{3} total parameters and inference latency. In this paper, we first observe that only a few neurons of FFN module have large output norm for any input tokens, a.k.a. heavy hitters, while the others are sparsely triggered by different tokens. Based on this observation, we explicitly split the FFN into two parts according to the heavy hitters. We improve the efficiency-accuracy trade-off of existing compression methods by allocating more resource to FFN parts with heavy hitters. In practice, our method can reduce model size by 43.1\% and bring 1.25sim1.56times wall clock time speedup on different hardware with negligible accuracy drop.

Abstractive summarization models are commonly trained using maximum likelihood estimation, which assumes a deterministic (one-point) target distribution in which an ideal model will assign all the probability mass to the reference summary. This assumption may lead to performance degradation during inference, where the model needs to compare several system-generated (candidate) summaries that have deviated from the reference summary. To address this problem, we propose a novel training paradigm which assumes a non-deterministic distribution so that different candidate summaries are assigned probability mass according to their quality. Our method achieves a new state-of-the-art result on the CNN/DailyMail (47.78 ROUGE-1) and XSum (49.07 ROUGE-1) datasets. Further analysis also shows that our model can estimate probabilities of candidate summaries that are more correlated with their level of quality.

We present the Power Law Graph Transformer, a transformer model with well defined deductive and inductive tasks for prediction and representation learning. The deductive task learns the dataset level (global) and instance level (local) graph structures in terms of learnable power law distribution parameters. The inductive task outputs the prediction probabilities using the deductive task output, similar to a transductive model. We trained our model with Turkish-English and Portuguese-English datasets from TED talk transcripts for machine translation and compared the model performance and characteristics to a transformer model with scaled dot product attention trained on the same experimental setup. We report BLEU scores of 17.79 and 28.33 on the Turkish-English and Portuguese-English translation tasks with our model, respectively. We also show how a duality between a quantization set and N-dimensional manifold representation can be leveraged to transform between local and global deductive-inductive outputs using successive application of linear and non-linear transformations end-to-end.

Recent work has shown that feed-forward networks (FFNs) in pre-trained Transformers are a key component, storing various linguistic and factual knowledge. However, the computational patterns of FFNs are still unclear. In this work, we study the computational patterns of FFNs and observe that most inputs only activate a tiny ratio of neurons of FFNs. This phenomenon is similar to the sparsity of the human brain, which drives research on functional partitions of the human brain. To verify whether functional partitions also emerge in FFNs, we propose to convert a model into its MoE version with the same parameters, namely MoEfication. Specifically, MoEfication consists of two phases: (1) splitting the parameters of FFNs into multiple functional partitions as experts, and (2) building expert routers to decide which experts will be used for each input. Experimental results show that MoEfication can conditionally use 10% to 30% of FFN parameters while maintaining over 95% original performance for different models on various downstream tasks. Besides, MoEfication brings two advantages: (1) it significantly reduces the FLOPS of inference, i.e., 2x speedup with 25% of FFN parameters, and (2) it provides a fine-grained perspective to study the inner mechanism of FFNs. The source code of this paper can be obtained from https://github.com/thunlp/MoEfication.

Scaling laws are useful guides for developing language models, but there are still gaps between current scaling studies and how language models are ultimately trained and evaluated. For instance, scaling is usually studied in the compute-optimal training regime (i.e., "Chinchilla optimal" regime); however, in practice, models are often over-trained to reduce inference costs. Moreover, scaling laws mostly predict loss on next-token prediction, but ultimately models are compared based on downstream task performance. In this paper, we address both shortcomings. To do so, we create a testbed of 104 models with 0.011B to 6.9B parameters trained with various numbers of tokens on three data distributions. First, we investigate scaling in the over-trained regime. We fit scaling laws that extrapolate in both the number of model parameters and the ratio of training tokens to parameters. This enables us to predict the validation loss of a 1.4B parameter, 900B token run (i.e., 32times over-trained) and a 6.9B parameter, 138B token runx2014each from experiments that take 300times less compute. Second, we relate the perplexity of a language model to its downstream task performance via a power law. We use this law to predict top-1 error averaged over downstream tasks for the two aforementioned models using experiments that take 20times less compute. Our experiments are available at https://github.com/mlfoundations/scaling.

Pre-training and fine-tuning have achieved significant advances in the information retrieval (IR). A typical approach is to fine-tune all the parameters of large-scale pre-trained models (PTMs) on downstream tasks. As the model size and the number of tasks increase greatly, such approach becomes less feasible and prohibitively expensive. Recently, a variety of parameter-efficient tuning methods have been proposed in natural language processing (NLP) that only fine-tune a small number of parameters while still attaining strong performance. Yet there has been little effort to explore parameter-efficient tuning for IR. In this work, we first conduct a comprehensive study of existing parameter-efficient tuning methods at both the retrieval and re-ranking stages. Unlike the promising results in NLP, we find that these methods cannot achieve comparable performance to full fine-tuning at both stages when updating less than 1\% of the original model parameters. More importantly, we find that the existing methods are just parameter-efficient, but not learning-efficient as they suffer from unstable training and slow convergence. To analyze the underlying reason, we conduct a theoretical analysis and show that the separation of the inserted trainable modules makes the optimization difficult. To alleviate this issue, we propose to inject additional modules alongside the PTM to make the original scattered modules connected. In this way, all the trainable modules can form a pathway to smooth the loss surface and thus help stabilize the training process. Experiments at both retrieval and re-ranking stages show that our method outperforms existing parameter-efficient methods significantly, and achieves comparable or even better performance over full fine-tuning.

We study the memorization power of feedforward ReLU neural networks. We show that such networks can memorize any N points that satisfy a mild separability assumption using Oleft(Nright) parameters. Known VC-dimension upper bounds imply that memorizing N samples requires Omega(N) parameters, and hence our construction is optimal up to logarithmic factors. We also give a generalized construction for networks with depth bounded by 1 leq L leq N, for memorizing N samples using O(N/L) parameters. This bound is also optimal up to logarithmic factors. Our construction uses weights with large bit complexity. We prove that having such a large bit complexity is both necessary and sufficient for memorization with a sub-linear number of parameters.

Transformers can learn to perform numerical computations from examples only. I study nine problems of linear algebra, from basic matrix operations to eigenvalue decomposition and inversion, and introduce and discuss four encoding schemes to represent real numbers. On all problems, transformers trained on sets of random matrices achieve high accuracies (over 90%). The models are robust to noise, and can generalize out of their training distribution. In particular, models trained to predict Laplace-distributed eigenvalues generalize to different classes of matrices: Wigner matrices or matrices with positive eigenvalues. The reverse is not true.

As deep neural networks include a high number of parameters and operations, it can be a challenge to implement these models on devices with limited computational resources. Despite the development of novel pruning methods toward resource-efficient models, it has become evident that these models are not capable of handling "imbalanced" and "limited number of data points". We proposed a novel filter pruning method by considering the input and output of filters along with the values of the filters that deal with imbalanced datasets better than others. Our pruning method considers the fact that all information about the importance of a filter may not be reflected in the value of the filter. Instead, it is reflected in the changes made to the data after the filter is applied to it. In this work, three methods are compared with the same training conditions except for the ranking values of each method, and 14 methods are compared from other papers. We demonstrated that our model performed significantly better than other methods for imbalanced medical datasets. For example, when we removed up to 58% of FLOPs for the IDRID dataset and up to 45% for the ISIC dataset, our model was able to yield an equivalent (or even superior) result to the baseline model. To evaluate FLOP and parameter reduction using our model in real-world settings, we built a smartphone app, where we demonstrated a reduction of up to 79% in memory usage and 72% in prediction time. All codes and parameters for training different models are available at https://github.com/mohofar/Beta-Rank

Text generation is ubiquitous in many NLP tasks, from summarization, to dialogue and machine translation. The dominant parametric approach is based on locally normalized models which predict one word at a time. While these work remarkably well, they are plagued by exposure bias due to the greedy nature of the generation process. In this work, we investigate un-normalized energy-based models (EBMs) which operate not at the token but at the sequence level. In order to make training tractable, we first work in the residual of a pretrained locally normalized language model and second we train using noise contrastive estimation. Furthermore, since the EBM works at the sequence level, we can leverage pretrained bi-directional contextual representations, such as BERT and RoBERTa. Our experiments on two large language modeling datasets show that residual EBMs yield lower perplexity compared to locally normalized baselines. Moreover, generation via importance sampling is very efficient and of higher quality than the baseline models according to human evaluation.

Automated classification of metadata of research data by their discipline(s) of research can be used in scientometric research, by repository service providers, and in the context of research data aggregation services. Openly available metadata of the DataCite index for research data were used to compile a large training and evaluation set comprised of 609,524 records, which is published alongside this paper. These data allow to reproducibly assess classification approaches, such as tree-based models and neural networks. According to our experiments with 20 base classes (multi-label classification), multi-layer perceptron models perform best with a f1-macro score of 0.760 closely followed by Long Short-Term Memory models (f1-macro score of 0.755). A possible application of the trained classification models is the quantitative analysis of trends towards interdisciplinarity of digital scholarly output or the characterization of growth patterns of research data, stratified by discipline of research. Both applications perform at scale with the proposed models which are available for re-use.

We study the problem of attributing the prediction of a deep network to its input features, a problem previously studied by several other works. We identify two fundamental axioms---Sensitivity and Implementation Invariance that attribution methods ought to satisfy. We show that they are not satisfied by most known attribution methods, which we consider to be a fundamental weakness of those methods. We use the axioms to guide the design of a new attribution method called Integrated Gradients. Our method requires no modification to the original network and is extremely simple to implement; it just needs a few calls to the standard gradient operator. We apply this method to a couple of image models, a couple of text models and a chemistry model, demonstrating its ability to debug networks, to extract rules from a network, and to enable users to engage with models better.

A key challenge of modern machine learning systems is to achieve Out-of-Distribution (OOD) generalization -- generalizing to target data whose distribution differs from that of source data. Despite its significant importance, the fundamental question of ``what are the most effective algorithms for OOD generalization'' remains open even under the standard setting of covariate shift. This paper addresses this fundamental question by proving that, surprisingly, classical Maximum Likelihood Estimation (MLE) purely using source data (without any modification) achieves the minimax optimality for covariate shift under the well-specified setting. That is, no algorithm performs better than MLE in this setting (up to a constant factor), justifying MLE is all you need. Our result holds for a very rich class of parametric models, and does not require any boundedness condition on the density ratio. We illustrate the wide applicability of our framework by instantiating it to three concrete examples -- linear regression, logistic regression, and phase retrieval. This paper further complement the study by proving that, under the misspecified setting, MLE is no longer the optimal choice, whereas Maximum Weighted Likelihood Estimator (MWLE) emerges as minimax optimal in certain scenarios.

Legal professionals need to write analyses that rely on citations to relevant precedents, i.e., previous case decisions. Intelligent systems assisting legal professionals in writing such documents provide great benefits but are challenging to design. Such systems need to help locate, summarize, and reason over salient precedents in order to be useful. To enable systems for such tasks, we work with legal professionals to transform a large open-source legal corpus into a dataset supporting two important backbone tasks: information retrieval (IR) and retrieval-augmented generation (RAG). This dataset CLERC (Case Law Evaluation Retrieval Corpus), is constructed for training and evaluating models on their ability to (1) find corresponding citations for a given piece of legal analysis and to (2) compile the text of these citations (as well as previous context) into a cogent analysis that supports a reasoning goal. We benchmark state-of-the-art models on CLERC, showing that current approaches still struggle: GPT-4o generates analyses with the highest ROUGE F-scores but hallucinates the most, while zero-shot IR models only achieve 48.3% recall@1000.

This paper revisits the implementation of Load-balancing Loss (LBL) when training Mixture-of-Experts (MoEs) models. Specifically, LBL for MoEs is defined as N_E sum_{i=1}^{N_E} f_i p_i, where N_E is the total number of experts, f_i represents the frequency of expert i being selected, and p_i denotes the average gating score of the expert i. Existing MoE training frameworks usually employ the parallel training strategy so that f_i and the LBL are calculated within a micro-batch and then averaged across parallel groups. In essence, a micro-batch for training billion-scale LLMs normally contains very few sequences. So, the micro-batch LBL is almost at the sequence level, and the router is pushed to distribute the token evenly within each sequence. Under this strict constraint, even tokens from a domain-specific sequence (e.g., code) are uniformly routed to all experts, thereby inhibiting expert specialization. In this work, we propose calculating LBL using a global-batch to loose this constraint. Because a global-batch contains much more diverse sequences than a micro-batch, which will encourage load balance at the corpus level. Specifically, we introduce an extra communication step to synchronize f_i across micro-batches and then use it to calculate the LBL. Through experiments on training MoEs-based LLMs (up to 42.8B total parameters and 400B tokens), we surprisingly find that the global-batch LBL strategy yields excellent performance gains in both pre-training perplexity and downstream tasks. Our analysis reveals that the global-batch LBL also greatly improves the domain specialization of MoE experts.

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.

We study the problem of detecting the correlation between two Gaussian databases XinR^{ntimes d} and Y^{ntimes d}, each composed of n users with d features. This problem is relevant in the analysis of social media, computational biology, etc. We formulate this as a hypothesis testing problem: under the null hypothesis, these two databases are statistically independent. Under the alternative, however, there exists an unknown permutation sigma over the set of n users (or, row permutation), such that X is rho-correlated with Y^sigma, a permuted version of Y. We determine sharp thresholds at which optimal testing exhibits a phase transition, depending on the asymptotic regime of n and d. Specifically, we prove that if rho^2dto0, as dtoinfty, then weak detection (performing slightly better than random guessing) is statistically impossible, irrespectively of the value of n. This compliments the performance of a simple test that thresholds the sum all entries of X^TY. Furthermore, when d is fixed, we prove that strong detection (vanishing error probability) is impossible for any rho<rho^star, where rho^star is an explicit function of d, while weak detection is again impossible as long as rho^2dto0. These results close significant gaps in current recent related studies.

This paper introduces the idea of applying signal processing inside a Large Language Model (LLM). With the recent explosion of generative AI, our work can help bridge two fields together, namely the field of signal processing and large language models. We draw parallels between classical Fourier-Transforms and Fourier Transform-like learnable time-frequency representations for every intermediate activation signal of an LLM. Once we decompose every activation signal across tokens into a time-frequency representation, we learn how to filter and reconstruct them, with all components learned from scratch, to predict the next token given the previous context. We show that for GPT-like architectures, our work achieves faster convergence and significantly increases performance by adding a minuscule number of extra parameters when trained for the same epochs. We hope this work paves the way for algorithms exploring signal processing inside the signals found in neural architectures like LLMs and beyond.

Pretrained language models have served as important backbones for natural language processing. Recently, in-domain pretraining has been shown to benefit various domain-specific downstream tasks. In the biomedical domain, natural language generation (NLG) tasks are of critical importance, while understudied. Approaching natural language understanding (NLU) tasks as NLG achieves satisfying performance in the general domain through constrained language generation or language prompting. We emphasize the lack of in-domain generative language models and the unsystematic generative downstream benchmarks in the biomedical domain, hindering the development of the research community. In this work, we introduce the generative language model BioBART that adapts BART to the biomedical domain. We collate various biomedical language generation tasks including dialogue, summarization, entity linking, and named entity recognition. BioBART pretrained on PubMed abstracts has enhanced performance compared to BART and set strong baselines on several tasks. Furthermore, we conduct ablation studies on the pretraining tasks for BioBART and find that sentence permutation has negative effects on downstream tasks.

Recent developments in long-context large language models have attracted considerable attention. Yet, their real-world applications are often hindered by ineffective context information use. This work shows that structuring training data to increase semantic interdependence is an effective strategy for optimizing context utilization. To this end, we introduce Structured Packing for Long Context (SPLiCe), a method for creating training examples by using information retrieval methods to collate mutually relevant documents into a single training context. We empirically validate SPLiCe on large 3B and 7B models, showing perplexity improvements and better long-context utilization on downstream tasks. Remarkably, already relatively short fine-tuning with SPLiCe is enough to attain these benefits. Additionally, the comprehensive study of SPLiCe reveals intriguing transfer effects such as training on code data leading to perplexity improvements on text data.

Due to the high computational demands executing a rigorous comparison between hyperparameter optimization (HPO) methods is often cumbersome. The goal of this paper is to facilitate a better empirical evaluation of HPO methods by providing benchmarks that are cheap to evaluate, but still represent realistic use cases. We believe these benchmarks provide an easy and efficient way to conduct reproducible experiments for neural hyperparameter search. Our benchmarks consist of a large grid of configurations of a feed forward neural network on four different regression datasets including architectural hyperparameters and hyperparameters concerning the training pipeline. Based on this data, we performed an in-depth analysis to gain a better understanding of the properties of the optimization problem, as well as of the importance of different types of hyperparameters. Second, we exhaustively compared various different state-of-the-art methods from the hyperparameter optimization literature on these benchmarks in terms of performance and robustness.

This paper introduces a novel training methodology that enables a small Transformer model to generalize the addition of two-digit numbers to numbers with unseen lengths of digits. The proposed approach employs an autoregressive generation technique, processing from right to left, which mimics a common manual method for adding large numbers. To the best of my knowledge, this methodology has not been previously explored in the literature. All results are reproducible, and the corresponding R code is available at: https://github.com/AGPatriota/ALGA-R/.

This paper introduces a novel modification of the transformer architecture, tailored for the data-efficient pretraining of language models. This aspect is evaluated by participating in the BabyLM challenge, where our solution won both the strict and strict-small tracks. Our approach allows each transformer layer to select which outputs of previous layers to process. The empirical results verify the potential of this simple modification and show that not all layers are equally as important.

Hyperbolic embeddings offer excellent quality with few dimensions when embedding hierarchical data structures like synonym or type hierarchies. Given a tree, we give a combinatorial construction that embeds the tree in hyperbolic space with arbitrarily low distortion without using optimization. On WordNet, our combinatorial embedding obtains a mean-average-precision of 0.989 with only two dimensions, while Nickel et al.'s recent construction obtains 0.87 using 200 dimensions. We provide upper and lower bounds that allow us to characterize the precision-dimensionality tradeoff inherent in any hyperbolic embedding. To embed general metric spaces, we propose a hyperbolic generalization of multidimensional scaling (h-MDS). We show how to perform exact recovery of hyperbolic points from distances, provide a perturbation analysis, and give a recovery result that allows us to reduce dimensionality. The h-MDS approach offers consistently low distortion even with few dimensions across several datasets. Finally, we extract lessons from the algorithms and theory above to design a PyTorch-based implementation that can handle incomplete information and is scalable.

The problem of attributing a deep network's prediction to its input/base features is well-studied. We introduce the notion of conductance to extend the notion of attribution to the understanding the importance of hidden units. Informally, the conductance of a hidden unit of a deep network is the flow of attribution via this hidden unit. We use conductance to understand the importance of a hidden unit to the prediction for a specific input, or over a set of inputs. We evaluate the effectiveness of conductance in multiple ways, including theoretical properties, ablation studies, and a feature selection task. The empirical evaluations are done using the Inception network over ImageNet data, and a sentiment analysis network over reviews. In both cases, we demonstrate the effectiveness of conductance in identifying interesting insights about the internal workings of these networks.

We demonstrate that a deep model can be reparametrized as a linear combination of several randomly initialized and frozen deep models in the weight space. During training, we seek local minima that reside within the subspace spanned by these random models (i.e., `basis' networks). Our framework, PRANC, enables significant compaction of a deep model. The model can be reconstructed using a single scalar `seed,' employed to generate the pseudo-random `basis' networks, together with the learned linear mixture coefficients. In practical applications, PRANC addresses the challenge of efficiently storing and communicating deep models, a common bottleneck in several scenarios, including multi-agent learning, continual learners, federated systems, and edge devices, among others. In this study, we employ PRANC to condense image classification models and compress images by compacting their associated implicit neural networks. PRANC outperforms baselines with a large margin on image classification when compressing a deep model almost 100 times. Moreover, we show that PRANC enables memory-efficient inference by generating layer-wise weights on the fly. The source code of PRANC is here: https://github.com/UCDvision/PRANC

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.

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.

As large language models rapidly evolve to support longer context, there is a notable disparity in their capability to generate output at greater lengths. Recent study suggests that the primary cause for this imbalance may arise from the lack of data with long-output during alignment training. In light of this observation, attempts are made to re-align foundation models with data that fills the gap, which result in models capable of generating lengthy output when instructed. In this paper, we explore the impact of data-quality in tuning a model for long output, and the possibility of doing so from the starting points of human-aligned (instruct or chat) models. With careful data curation, we show that it possible to achieve similar performance improvement in our tuned models, with only a small fraction of training data instances and compute. In addition, we assess the generalizability of such approaches by applying our tuning-recipes to several models. our findings suggest that, while capacities for generating long output vary across different models out-of-the-box, our approach to tune them with high-quality data using lite compute, consistently yields notable improvement across all models we experimented on. We have made public our curated dataset for tuning long-writing capability, the implementations of model tuning and evaluation, as well as the fine-tuned models, all of which can be openly-accessed.

Recent years have seen a surge in deep learning approaches to accelerate numerical solvers, which provide faithful but computationally intensive simulations of the physical world. These deep surrogates are generally trained in a supervised manner from limited amounts of data slowly generated by the same solver they intend to accelerate. We propose an open-source framework that enables the online training of these models from a large ensemble run of simulations. It leverages multiple levels of parallelism to generate rich datasets. The framework avoids I/O bottlenecks and storage issues by directly streaming the generated data. A training reservoir mitigates the inherent bias of streaming while maximizing GPU throughput. Experiment on training a fully connected network as a surrogate for the heat equation shows the proposed approach enables training on 8TB of data in 2 hours with an accuracy improved by 47% and a batch throughput multiplied by 13 compared to a traditional offline procedure.

In domains with high stakes such as law, recruitment, and healthcare, learning models frequently rely on sensitive user data for inference, necessitating the complete set of features. This not only poses significant privacy risks for individuals but also demands substantial human effort from organizations to verify information accuracy. This paper asks whether it is necessary to use all input features for accurate predictions at inference time. The paper demonstrates that, in a personalized setting, individuals may only need to disclose a small subset of their features without compromising decision-making accuracy. The paper also provides an efficient sequential algorithm to determine the appropriate attributes for each individual to provide. Evaluations across various learning tasks show that individuals can potentially report as little as 10\% of their information while maintaining the same accuracy level as a model that employs the full set of user information.

The total memory capacity (MC) of linear recurrent neural networks (RNNs) has been proven to be equal to the rank of the corresponding Kalman controllability matrix, and it is almost surely maximal for connectivity and input weight matrices drawn from regular distributions. This fact questions the usefulness of this metric in distinguishing the performance of linear RNNs in the processing of stochastic signals. This note shows that the MC of random nonlinear RNNs yields arbitrary values within established upper and lower bounds depending just on the input process scale. This confirms that the existing definition of MC in linear and nonlinear cases has no practical value.

Pretraining data of large language models composes multiple domains (e.g., web texts, academic papers, codes), whose mixture proportions crucially impact the competence of outcome models. While existing endeavors rely on heuristics or qualitative strategies to tune the proportions, we discover the quantitative predictability of model performance regarding the mixture proportions in function forms, which we refer to as the data mixing laws. Fitting such functions on sample mixtures unveils model performance on unseen mixtures before actual runs, thus guiding the selection of an ideal data mixture. Furthermore, we propose nested use of the scaling laws of training steps, model sizes, and our data mixing law to enable predicting the performance of large models trained on massive data under various mixtures with only small-scale training. Moreover, experimental results verify that our method effectively optimizes the training mixture of a 1B model trained for 100B tokens in RedPajama, reaching a performance comparable to the one trained for 48% more steps on the default mixture. Extending the application of data mixing laws to continual training accurately predicts the critical mixture proportion that avoids catastrophic forgetting and outlooks the potential for dynamic data schedules

The choice of embedding model is a crucial step in the design of Retrieval Augmented Generation (RAG) systems. Given the sheer volume of available options, identifying clusters of similar models streamlines this model selection process. Relying solely on benchmark performance scores only allows for a weak assessment of model similarity. Thus, in this study, we evaluate the similarity of embedding models within the context of RAG systems. Our assessment is two-fold: We use Centered Kernel Alignment to compare embeddings on a pair-wise level. Additionally, as it is especially pertinent to RAG systems, we evaluate the similarity of retrieval results between these models using Jaccard and rank similarity. We compare different families of embedding models, including proprietary ones, across five datasets from the popular Benchmark Information Retrieval (BEIR). Through our experiments we identify clusters of models corresponding to model families, but interestingly, also some inter-family clusters. Furthermore, our analysis of top-k retrieval similarity reveals high-variance at low k values. We also identify possible open-source alternatives to proprietary models, with Mistral exhibiting the highest similarity to OpenAI models.

Tuning tensor program generation involves searching for various possible program transformation combinations for a given program on target hardware to optimize the tensor program execution. It is already a complex process because of the massive search space and exponential combinations of transformations make auto-tuning tensor program generation more challenging, especially when we have a heterogeneous target. In this research, we attempt to address these problems by learning the joint neural network and hardware features and transferring them to the new target hardware. We extensively study the existing state-of-the-art dataset, TenSet, perform comparative analysis on the test split strategies and propose methodologies to prune the dataset. We adopt an attention-inspired approach for tuning the tensor programs enabling them to embed neural network and hardware-specific features. Our approach could prune the dataset up to 45\% of the baseline without compromising the Pairwise Comparison Accuracy (PCA). Further, the proposed methodology can achieve on-par or improved mean inference time with 25%-40% of the baseline tuning time across different networks and target hardware.

We develop a method to generate predictive regions that cover a multivariate response variable with a user-specified probability. Our work is composed of two components. First, we use a deep generative model to learn a representation of the response that has a unimodal distribution. Existing multiple-output quantile regression approaches are effective in such cases, so we apply them on the learned representation, and then transform the solution to the original space of the response. This process results in a flexible and informative region that can have an arbitrary shape, a property that existing methods lack. Second, we propose an extension of conformal prediction to the multivariate response setting that modifies any method to return sets with a pre-specified coverage level. The desired coverage is theoretically guaranteed in the finite-sample case for any distribution. Experiments conducted on both real and synthetic data show that our method constructs regions that are significantly smaller compared to existing techniques.

To handle the scarcity and heterogeneity of electroencephalography (EEG) data for Brain-Computer Interface (BCI) tasks, and to harness the power of large publicly available data sets, we propose Neuro-GPT, a foundation model consisting of an EEG encoder and a GPT model. The foundation model is pre-trained on a large-scale data set using a self-supervised task that learns how to reconstruct masked EEG segments. We then fine-tune the model on a Motor Imagery Classification task to validate its performance in a low-data regime (9 subjects). Our experiments demonstrate that applying a foundation model can significantly improve classification performance compared to a model trained from scratch, which provides evidence for the generalizability of the foundation model and its ability to address challenges of data scarcity and heterogeneity in EEG. The code is publicly available at github.com/wenhui0206/NeuroGPT.

We present TabPFN, a trained Transformer that can do supervised classification for small tabular datasets in less than a second, needs no hyperparameter tuning and is competitive with state-of-the-art classification methods. TabPFN performs in-context learning (ICL), it learns to make predictions using sequences of labeled examples (x, f(x)) given in the input, without requiring further parameter updates. TabPFN is fully entailed in the weights of our network, which accepts training and test samples as a set-valued input and yields predictions for the entire test set in a single forward pass. TabPFN is a Prior-Data Fitted Network (PFN) and is trained offline once, to approximate Bayesian inference on synthetic datasets drawn from our prior. This prior incorporates ideas from causal reasoning: It entails a large space of structural causal models with a preference for simple structures. On the 18 datasets in the OpenML-CC18 suite that contain up to 1 000 training data points, up to 100 purely numerical features without missing values, and up to 10 classes, we show that our method clearly outperforms boosted trees and performs on par with complex state-of-the-art AutoML systems with up to 230times speedup. This increases to a 5 700times speedup when using a GPU. We also validate these results on an additional 67 small numerical datasets from OpenML. We provide all our code, the trained TabPFN, an interactive browser demo and a Colab notebook at https://github.com/automl/TabPFN.

Modelling compositionality has been a longstanding area of research in the field of vector space semantics. The categorical approach to compositionality maps grammar onto vector spaces in a principled way, but comes under fire for requiring the formation of very high-dimensional matrices and tensors, and therefore being computationally infeasible. In this paper I show how a linear simplification of recursive neural tensor network models can be mapped directly onto the categorical approach, giving a way of computing the required matrices and tensors. This mapping suggests a number of lines of research for both categorical compositional vector space models of meaning and for recursive neural network models of compositionality.

Since the introduction of the transformer model by Vaswani et al. (2017), a fundamental question has yet to be answered: how does a model achieve extrapolation at inference time for sequences that are longer than it saw during training? We first show that extrapolation can be enabled by simply changing the position representation method, though we find that current methods do not allow for efficient extrapolation. We therefore introduce a simpler and more efficient position method, Attention with Linear Biases (ALiBi). ALiBi does not add positional embeddings to word embeddings; instead, it biases query-key attention scores with a penalty that is proportional to their distance. We show that this method trains a 1.3 billion parameter model on input sequences of length 1024 that extrapolates to input sequences of length 2048, achieving the same perplexity as a sinusoidal position embedding model trained on inputs of length 2048 but training 11% faster and using 11% less memory. ALiBi's inductive bias towards recency also leads it to outperform multiple strong position methods on the WikiText-103 benchmark.

We propose a new learning paradigm called Deep Memory. It has the potential to completely revolutionize the Machine Learning field. Surprisingly, this paradigm has not been reinvented yet, unlike Deep Learning. At the core of this approach is the Learning By Heart principle, well studied in primary schools all over the world. Inspired by poem recitation, or by pi decimal memorization, we propose a concrete algorithm that mimics human behavior. We implement this paradigm on the task of generative modeling, and apply to images, natural language and even the pi decimals as long as one can print them as text. The proposed algorithm even generated this paper, in a one-shot learning setting. In carefully designed experiments, we show that the generated samples are indistinguishable from the training examples, as measured by any statistical tests or metrics.

The reduced basis method is a model reduction technique yielding substantial savings of computational time when a solution to a parametrized equation has to be computed for many values of the parameter. Certification of the approximation is possible by means of an a posteriori error bound. Under appropriate assumptions, this error bound is computed with an algorithm of complexity independent of the size of the full problem. In practice, the evaluation of the error bound can become very sensitive to round-off errors. We propose herein an explanation of this fact. A first remedy has been proposed in [F. Casenave, Accurate a posteriori error evaluation in the reduced basis method. C. R. Math. Acad. Sci. Paris 350 (2012) 539--542.]. Herein, we improve this remedy by proposing a new approximation of the error bound using the Empirical Interpolation Method (EIM). This method achieves higher levels of accuracy and requires potentially less precomputations than the usual formula. A version of the EIM stabilized with respect to round-off errors is also derived. The method is illustrated on a simple one-dimensional diffusion problem and a three-dimensional acoustic scattering problem solved by a boundary element method.

In this manuscript, we show that any neural network with any activation function can be represented as a decision tree. The representation is equivalence and not an approximation, thus keeping the accuracy of the neural network exactly as is. We believe that this work provides better understanding of neural networks and paves the way to tackle their black-box nature. We share equivalent trees of some neural networks and show that besides providing interpretability, tree representation can also achieve some computational advantages for small networks. The analysis holds both for fully connected and convolutional networks, which may or may not also include skip connections and/or normalizations.

Linear sequences of words are implicitly represented in our brains by hierarchical structures that organize the composition of words in sentences. Linguists formalize different frameworks to model this hierarchy; two of the most common syntactic frameworks are Constituency and Dependency. Constituency represents sentences as nested groups of phrases, while dependency represents a sentence by assigning relations between its words. Recently, the pursuit of intelligent machines has produced Language Models (LMs) capable of solving many language tasks with a human-level performance. Many studies now question whether LMs implicitly represent syntactic hierarchies. This thesis focuses on producing constituency and dependency structures from LMs in an unsupervised setting. I review the critical methods in this field and highlight a line of work that utilizes a numerical representation for binary constituency trees (Syntactic Distance). I present a detailed study on StructFormer (SF) (Shen et al., 2021), which retrofits a transformer encoder architecture with a parser network to produce constituency and dependency structures. I present six experiments to analyze and address this field's challenges; experiments include investigating the effect of repositioning the parser network within the SF architecture, evaluating subword-based induced trees, and benchmarking the models developed in the thesis experiments on linguistic tasks. Models benchmarking is performed by participating in the BabyLM challenge, published at CoNLL 2023 (Momen et al., 2023). The results of this thesis encourage further development in the direction of retrofitting transformer-based models to induce syntactic structures, supported by the acceptable performance of SF in different experimental settings and the observed limitations that require innovative solutions to advance the state of syntactic structure induction.

This paper focuses on the construction of a general parametric model that can be implemented executing multiple swap tests over few qubits and applying a suitable measurement protocol. The model turns out to be equivalent to a two-layer feedforward neural network which can be realized combining small quantum modules. The advantages and the perspectives of the proposed quantum method are discussed.

We present a systematic investigation of Multi-modal Retrieval Augmented Multi-modal Generation (M^2RAG), a novel task that enables foundation models to process multi-modal web content and generate multi-modal responses, which exhibits better information density and readability. Despite its potential impact, M^2RAG remains understudied, lacking comprehensive analysis and high-quality data resources. To address this gap, we establish a comprehensive benchmark through a rigorous data curation pipeline, and employ text-modal metrics and multi-modal metrics based on foundation models for evaluation. We further propose several strategies for foundation models to process M^2RAG effectively and construct a training set by filtering high-quality samples using designed metrics. Our extensive experiments demonstrate the reliability of our proposed metrics, a landscape of model performance within our designed strategies, and show that our fine-tuned 7B-8B models outperform the state-of-the-art GPT-4o model. Additionally, we perform fine-grained analyses across diverse domains and validate the effectiveness of our designs in data curation pipeline. All resources, including codes, datasets, and model weights, will be publicly released.

We introduce an algorithm where the individual bits representing the weights of a neural network are learned. This method allows training weights with integer values on arbitrary bit-depths and naturally uncovers sparse networks, without additional constraints or regularization techniques. We show better results than the standard training technique with fully connected networks and similar performance as compared to standard training for convolutional and residual networks. By training bits in a selective manner we found that the biggest contribution to achieving high accuracy is given by the first three most significant bits, while the rest provide an intrinsic regularization. As a consequence more than 90\% of a network can be used to store arbitrary codes without affecting its accuracy. These codes may be random noise, binary files or even the weights of previously trained networks.

In neural Information Retrieval (IR), ongoing research is directed towards improving the first retriever in ranking pipelines. Learning dense embeddings to conduct retrieval using efficient approximate nearest neighbors methods has proven to work well. Meanwhile, there has been a growing interest in learning sparse representations for documents and queries, that could inherit from the desirable properties of bag-of-words models such as the exact matching of terms and the efficiency of inverted indexes. Introduced recently, the SPLADE model provides highly sparse representations and competitive results with respect to state-of-the-art dense and sparse approaches. In this paper, we build on SPLADE and propose several significant improvements in terms of effectiveness and/or efficiency. More specifically, we modify the pooling mechanism, benchmark a model solely based on document expansion, and introduce models trained with distillation. We also report results on the BEIR benchmark. Overall, SPLADE is considerably improved with more than 9\% gains on NDCG@10 on TREC DL 2019, leading to state-of-the-art results on the BEIR benchmark.

Wikipedia is an important free source of intelligible knowledge. Despite that, Brazilian Portuguese Wikipedia still lacks descriptions for many subjects. In an effort to expand the Brazilian Wikipedia, we contribute PLSum, a framework for generating wiki-like abstractive summaries from multiple descriptive websites. The framework has an extractive stage followed by an abstractive one. In particular, for the abstractive stage, we fine-tune and compare two recent variations of the Transformer neural network, PTT5, and Longformer. To fine-tune and evaluate the model, we created a dataset with thousands of examples, linking reference websites to Wikipedia. Our results show that it is possible to generate meaningful abstractive summaries from Brazilian Portuguese web content.

We propose a new framework for estimating generative models via an adversarial process, in which we simultaneously train two models: a generative model G that captures the data distribution, and a discriminative model D that estimates the probability that a sample came from the training data rather than G. The training procedure for G is to maximize the probability of D making a mistake. This framework corresponds to a minimax two-player game. In the space of arbitrary functions G and D, a unique solution exists, with G recovering the training data distribution and D equal to 1/2 everywhere. In the case where G and D are defined by multilayer perceptrons, the entire system can be trained with backpropagation. There is no need for any Markov chains or unrolled approximate inference networks during either training or generation of samples. Experiments demonstrate the potential of the framework through qualitative and quantitative evaluation of the generated samples.

We give an overview of recent developments in the modeling of radiowave propagation, based on machine learning algorithms. We identify the input and output specification and the architecture of the model as the main challenges associated with machine learning-driven propagation models. Relevant papers are discussed and categorized based on their approach to each of these challenges. Emphasis is given on presenting the prospects and open problems in this promising and rapidly evolving area.

Several variants of the Long Short-Term Memory (LSTM) architecture for recurrent neural networks have been proposed since its inception in 1995. In recent years, these networks have become the state-of-the-art models for a variety of machine learning problems. This has led to a renewed interest in understanding the role and utility of various computational components of typical LSTM variants. In this paper, we present the first large-scale analysis of eight LSTM variants on three representative tasks: speech recognition, handwriting recognition, and polyphonic music modeling. The hyperparameters of all LSTM variants for each task were optimized separately using random search, and their importance was assessed using the powerful fANOVA framework. In total, we summarize the results of 5400 experimental runs (approx 15 years of CPU time), which makes our study the largest of its kind on LSTM networks. Our results show that none of the variants can improve upon the standard LSTM architecture significantly, and demonstrate the forget gate and the output activation function to be its most critical components. We further observe that the studied hyperparameters are virtually independent and derive guidelines for their efficient adjustment.

Deep learning techniques are increasingly applied to scientific problems, where the precision of networks is crucial. Despite being deemed as universal function approximators, neural networks, in practice, struggle to reduce the prediction errors below O(10^{-5}) even with large network size and extended training iterations. To address this issue, we developed the multi-stage neural networks that divides the training process into different stages, with each stage using a new network that is optimized to fit the residue from the previous stage. Across successive stages, the residue magnitudes decreases substantially and follows an inverse power-law relationship with the residue frequencies. The multi-stage neural networks effectively mitigate the spectral biases associated with regular neural networks, enabling them to capture the high frequency feature of target functions. We demonstrate that the prediction error from the multi-stage training for both regression problems and physics-informed neural networks can nearly reach the machine-precision O(10^{-16}) of double-floating point within a finite number of iterations. Such levels of accuracy are rarely attainable using single neural networks alone.

The growing size of datasets and deep learning models has made faster and memory-efficient training crucial. Reversible transformers have recently been introduced as an exciting new method for extremely memory-efficient training, but they come with an additional computation overhead of activation re-computation in the backpropagation phase. We present PaReprop, a fast Parallelized Reversible Backpropagation algorithm that parallelizes the additional activation re-computation overhead in reversible training with the gradient computation itself in backpropagation phase. We demonstrate the effectiveness of the proposed PaReprop algorithm through extensive benchmarking across model families (ViT, MViT, Swin and RoBERTa), data modalities (Vision & NLP), model sizes (from small to giant), and training batch sizes. Our empirical results show that PaReprop achieves up to 20% higher training throughput than vanilla reversible training, largely mitigating the theoretical overhead of 25% lower throughput from activation recomputation in reversible training. Project page: https://tylerzhu.com/pareprop.

It has been shown that deep neural networks of a large enough width are universal approximators but they are not if the width is too small. There were several attempts to characterize the minimum width w_{min} enabling the universal approximation property; however, only a few of them found the exact values. In this work, we show that the minimum width for L^p approximation of L^p functions from [0,1]^{d_x} to mathbb R^{d_y} is exactly max{d_x,d_y,2} if an activation function is ReLU-Like (e.g., ReLU, GELU, Softplus). Compared to the known result for ReLU networks, w_{min}=max{d_x+1,d_y} when the domain is mathbb R^{d_x}, our result first shows that approximation on a compact domain requires smaller width than on mathbb R^{d_x}. We next prove a lower bound on w_{min} for uniform approximation using general activation functions including ReLU: w_{min}ge d_y+1 if d_x<d_yle2d_x. Together with our first result, this shows a dichotomy between L^p and uniform approximations for general activation functions and input/output dimensions.

Existing approaches to neural machine translation condition each output word on previously generated outputs. We introduce a model that avoids this autoregressive property and produces its outputs in parallel, allowing an order of magnitude lower latency during inference. Through knowledge distillation, the use of input token fertilities as a latent variable, and policy gradient fine-tuning, we achieve this at a cost of as little as 2.0 BLEU points relative to the autoregressive Transformer network used as a teacher. We demonstrate substantial cumulative improvements associated with each of the three aspects of our training strategy, and validate our approach on IWSLT 2016 English-German and two WMT language pairs. By sampling fertilities in parallel at inference time, our non-autoregressive model achieves near-state-of-the-art performance of 29.8 BLEU on WMT 2016 English-Romanian.

Kolmogorov-Arnold Networks (KAN) are a new class of neural network architecture representing a promising alternative to the Multilayer Perceptron (MLP), demonstrating improved expressiveness and interpretability. However, KANs suffer from slow training and inference speeds relative to MLPs due in part to the recursive nature of the underlying B-spline calculations. This issue is particularly apparent with respect to KANs utilizing high-degree B-splines, as the number of required non-parallelizable recursions is proportional to B-spline degree. We solve this issue by proposing MatrixKAN, a novel optimization that parallelizes B-spline calculations with matrix representation and operations, thus significantly improving effective computation time for models utilizing high-degree B-splines. In this paper, we demonstrate the superior scaling of MatrixKAN's computation time relative to B-spline degree. Further, our experiments demonstrate speedups of approximately 40x relative to KAN, with significant additional speedup potential for larger datasets or higher spline degrees.

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.

The parameter space for any fixed architecture of feedforward ReLU neural networks serves as a proxy during training for the associated class of functions - but how faithful is this representation? It is known that many different parameter settings can determine the same function. Moreover, the degree of this redundancy is inhomogeneous: for some networks, the only symmetries are permutation of neurons in a layer and positive scaling of parameters at a neuron, while other networks admit additional hidden symmetries. In this work, we prove that, for any network architecture where no layer is narrower than the input, there exist parameter settings with no hidden symmetries. We also describe a number of mechanisms through which hidden symmetries can arise, and empirically approximate the functional dimension of different network architectures at initialization. These experiments indicate that the probability that a network has no hidden symmetries decreases towards 0 as depth increases, while increasing towards 1 as width and input dimension increase.

We propose a new approach for propagating stable probability distributions through neural networks. Our method is based on local linearization, which we show to be an optimal approximation in terms of total variation distance for the ReLU non-linearity. This allows propagating Gaussian and Cauchy input uncertainties through neural networks to quantify their output uncertainties. To demonstrate the utility of propagating distributions, we apply the proposed method to predicting calibrated confidence intervals and selective prediction on out-of-distribution data. The results demonstrate a broad applicability of propagating distributions and show the advantages of our method over other approaches such as moment matching.

Neural networks have proven to be a highly effective tool for solving complex problems in many areas of life. Recently, their importance and practical usability have further been reinforced with the advent of deep learning. One of the important conditions for the success of neural networks is the choice of an appropriate activation function introducing non-linearity into the model. Many types of these functions have been proposed in the literature in the past, but there is no single comprehensive source containing their exhaustive overview. The absence of this overview, even in our experience, leads to redundancy and the unintentional rediscovery of already existing activation functions. To bridge this gap, our paper presents an extensive survey involving 400 activation functions, which is several times larger in scale than previous surveys. Our comprehensive compilation also references these surveys; however, its main goal is to provide the most comprehensive overview and systematization of previously published activation functions with links to their original sources. The secondary aim is to update the current understanding of this family of functions.

In this study, we examine the efficacy of post-hoc local attribution methods in identifying features with predictive power from irrelevant ones in domains characterized by a low signal-to-noise ratio (SNR), a common scenario in real-world machine learning applications. We developed synthetic datasets encompassing symbolic functional, image, and audio data, incorporating a benchmark on the {\it (Model \(\times\) Attribution\(\times\) Noise Condition)} triplet. By rigorously testing various classic models trained from scratch, we gained valuable insights into the performance of these attribution methods in multiple conditions. Based on these findings, we introduce a novel extension to the notable recursive feature elimination (RFE) algorithm, enhancing its applicability for neural networks. Our experiments highlight its strengths in prediction and feature selection, alongside limitations in scalability. Further details and additional minor findings are included in the appendix, with extensive discussions. The codes and resources are available at https://github.com/geshijoker/ChaosMining/{URL}.

Categorical variables often appear in datasets for classification and regression tasks, and they need to be encoded into numerical values before training. Since many encoders have been developed and can significantly impact performance, choosing the appropriate encoder for a task becomes a time-consuming yet important practical issue. This study broadly classifies machine learning models into three categories: 1) ATI models that implicitly perform affine transformations on inputs, such as multi-layer perceptron neural network; 2) Tree-based models that are based on decision trees, such as random forest; and 3) the rest, such as kNN. Theoretically, we prove that the one-hot encoder is the best choice for ATI models in the sense that it can mimic any other encoders by learning suitable weights from the data. We also explain why the target encoder and its variants are the most suitable encoders for tree-based models. This study conducted comprehensive computational experiments to evaluate 14 encoders, including one-hot and target encoders, along with eight common machine-learning models on 28 datasets. The computational results agree with our theoretical analysis. The findings in this study shed light on how to select the suitable encoder for data scientists in fields such as fraud detection, disease diagnosis, etc.

We classify and re-examine some of the current approaches to improve the performance-computes trade-off of language models, including (1) non-causal models (such as masked language models), (2) extension of batch length with efficient attention, (3) recurrence, (4) conditional computation and (5) retrieval. We identify some limitations (1) - (4) suffer from. For example, (1) currently struggles with open-ended text generation with the output loosely constrained by the input as well as performing general textual tasks like GPT-2/3 due to its need for a specific fine-tuning dataset. (2) and (3) do not improve the prediction of the first sim 10^3 tokens. Scaling up a model size (e.g. efficiently with (4)) still results in poor performance scaling for some tasks. We argue (5) would resolve many of these limitations, and it can (a) reduce the amount of supervision and (b) efficiently extend the context over the entire training dataset and the entire past of the current sample. We speculate how to modify MARGE to perform unsupervised causal modeling that achieves (b) with the retriever jointly trained.

We propose an approach to estimate the number of samples required for a model to reach a target performance. We find that the power law, the de facto principle to estimate model performance, leads to large error when using a small dataset (e.g., 5 samples per class) for extrapolation. This is because the log-performance error against the log-dataset size follows a nonlinear progression in the few-shot regime followed by a linear progression in the high-shot regime. We introduce a novel piecewise power law (PPL) that handles the two data regimes differently. To estimate the parameters of the PPL, we introduce a random forest regressor trained via meta learning that generalizes across classification/detection tasks, ResNet/ViT based architectures, and random/pre-trained initializations. The PPL improves the performance estimation on average by 37% across 16 classification and 33% across 10 detection datasets, compared to the power law. We further extend the PPL to provide a confidence bound and use it to limit the prediction horizon that reduces over-estimation of data by 76% on classification and 91% on detection datasets.

Large Language Models (LLMs) have recently demonstrated a remarkable success across various tasks. However, efficiently serving LLMs has been a challenge due to its large memory bottleneck, specifically in small batch inference settings (e.g. mobile devices). Weight-only quantization can be a promising approach, but sub-4 bit quantization remains a challenge due to large-magnitude activation outliers. To mitigate the undesirable outlier effect, we first propose per-IC quantization, a simple yet effective method that creates quantization groups within each input channel (IC) rather than the conventional per-output channel (OC). Our method is motivated by the observation that activation outliers affect the input dimension of the weight matrix, so similarly grouping the weights in the IC direction can isolate outliers to be within a group. We also find that activation outliers do not dictate quantization difficulty, and inherent weight sensitivities also exist. With per-IC quantization as a new outlier-friendly scheme, we then propose Adaptive Dimensions (AdaDim), a versatile quantization framework that can adapt to various weight sensitivity patterns. We demonstrate the effectiveness of AdaDim by augmenting prior methods such as Round-To-Nearest and GPTQ, showing significant improvements across various language modeling benchmarks for both base (up to +4.7% on MMLU) and instruction-tuned (up to +10% on HumanEval) LLMs.

We prove an inverse approximation theorem for the approximation of nonlinear sequence-to-sequence relationships using recurrent neural networks (RNNs). This is a so-called Bernstein-type result in approximation theory, which deduces properties of a target function under the assumption that it can be effectively approximated by a hypothesis space. In particular, we show that nonlinear sequence relationships that can be stably approximated by nonlinear RNNs must have an exponential decaying memory structure - a notion that can be made precise. This extends the previously identified curse of memory in linear RNNs into the general nonlinear setting, and quantifies the essential limitations of the RNN architecture for learning sequential relationships with long-term memory. Based on the analysis, we propose a principled reparameterization method to overcome the limitations. Our theoretical results are confirmed by numerical experiments. The code has been released in https://github.com/radarFudan/Curse-of-memory

A plethora of sentence embedding models makes it challenging to choose one, especially for domains such as telecom, rich with specialized vocabulary. We evaluate multiple embeddings obtained from publicly available models and their domain-adapted variants, on both point retrieval accuracies as well as their (95\%) confidence intervals. We establish a systematic method to obtain thresholds for similarity scores for different embeddings. We observe that fine-tuning improves mean bootstrapped accuracies as well as tightens confidence intervals. The pre-training combined with fine-tuning makes confidence intervals even tighter. To understand these variations, we analyse and report significant correlations between the distributional overlap between top-K, correct and random sentence similarities with retrieval accuracies and similarity thresholds. Following current literature, we analyze if retrieval accuracy variations can be attributed to isotropy of embeddings. Our conclusions are that isotropy of embeddings (as measured by two independent state-of-the-art isotropy metric definitions) cannot be attributed to better retrieval performance. However, domain adaptation which improves retrieval accuracies also improves isotropy. We establish that domain adaptation moves domain specific embeddings further away from general domain embeddings.

Recent advancements in NLP have witnessed the groundbreaking impact of pretrained models, yielding impressive outcomes across various tasks. This study seeks to extend the power of pretraining methodologies to facilitating the prediction over tables in data science, a domain traditionally overlooked, yet inherently challenging due to the plethora of table schemas intrinsic to different tasks. The primary research questions underpinning this work revolve around the establishment of a universal pretraining protocol for tables with varied structures, the generalizability and transferability of learned knowledge across tasks, the adaptation to diverse downstream applications, and the incorporation of incremental columns over time. In response to these challenges, we introduce UniTabE, a straightforward yet effective method designed to process tables in a uniform manner, devoid of constraints imposed by specific table structures. UniTabE's core concept relies on representing each basic table element with a module, termed TabUnit. This is subsequently followed by a Transformer encoder to refine the representation. Moreover, our model is designed to facilitate pretraining and finetuning through the utilization of free-form prompts. In order to implement the pretraining phase, we curated an expansive tabular dataset comprising approximately 13B samples, meticulously gathered from the Kaggle platform. This research primarily centers on classification and regression tasks involving tabular data, and conducts rigorous experimental testing and analyses to validate the effectiveness of our methodology. The experimental results demonstrate UniTabE's superior performance against several baselines across massive benchmarks. This, therefore, underscores UniTabE's potential to significantly enhance the semantic representation of tabular data, thereby marking a significant stride for tabular data analysis.

Knowledge-intensive language tasks require NLP systems to both provide the correct answer and retrieve supporting evidence for it in a given corpus. Autoregressive language models are emerging as the de-facto standard for generating answers, with newer and more powerful systems emerging at an astonishing pace. In this paper we argue that all this (and future) progress can be directly applied to the retrieval problem with minimal intervention to the models' architecture. Previous work has explored ways to partition the search space into hierarchical structures and retrieve documents by autoregressively generating their unique identifier. In this work we propose an alternative that doesn't force any structure in the search space: using all ngrams in a passage as its possible identifiers. This setup allows us to use an autoregressive model to generate and score distinctive ngrams, that are then mapped to full passages through an efficient data structure. Empirically, we show this not only outperforms prior autoregressive approaches but also leads to an average improvement of at least 10 points over more established retrieval solutions for passage-level retrieval on the KILT benchmark, establishing new state-of-the-art downstream performance on some datasets, while using a considerably lighter memory footprint than competing systems. Code and pre-trained models at https://github.com/facebookresearch/SEAL.

Retrieval Augmented Generation (RAG) represents a significant advancement in artificial intelligence combining a retrieval phase with a generative phase, with the latter typically being powered by large language models (LLMs). The current common practices in RAG involve using "instructed" LLMs, which are fine-tuned with supervised training to enhance their ability to follow instructions and are aligned with human preferences using state-of-the-art techniques. Contrary to popular belief, our study demonstrates that base models outperform their instructed counterparts in RAG tasks by 20% on average under our experimental settings. This finding challenges the prevailing assumptions about the superiority of instructed LLMs in RAG applications. Further investigations reveal a more nuanced situation, questioning fundamental aspects of RAG and suggesting the need for broader discussions on the topic; or, as Fromm would have it, "Seldom is a glance at the statistics enough to understand the meaning of the figures".

Coecke, Sadrzadeh, and Clark (arXiv:1003.4394v1 [cs.CL]) developed a compositional model of meaning for distributional semantics, in which each word in a sentence has a meaning vector and the distributional meaning of the sentence is a function of the tensor products of the word vectors. Abstractly speaking, this function is the morphism corresponding to the grammatical structure of the sentence in the category of finite dimensional vector spaces. In this paper, we provide a concrete method for implementing this linear meaning map, by constructing a corpus-based vector space for the type of sentence. Our construction method is based on structured vector spaces whereby meaning vectors of all sentences, regardless of their grammatical structure, live in the same vector space. Our proposed sentence space is the tensor product of two noun spaces, in which the basis vectors are pairs of words each augmented with a grammatical role. This enables us to compare meanings of sentences by simply taking the inner product of their vectors.

Having reliable specifications is an unavoidable challenge in achieving verifiable correctness, robustness, and interpretability of AI systems. Existing specifications for neural networks are in the paradigm of data as specification. That is, the local neighborhood centering around a reference input is considered to be correct (or robust). While existing specifications contribute to verifying adversarial robustness, a significant problem in many research domains, our empirical study shows that those verified regions are somewhat tight, and thus fail to allow verification of test set inputs, making them impractical for some real-world applications. To this end, we propose a new family of specifications called neural representation as specification, which uses the intrinsic information of neural networks - neural activation patterns (NAPs), rather than input data to specify the correctness and/or robustness of neural network predictions. We present a simple statistical approach to mining neural activation patterns. To show the effectiveness of discovered NAPs, we formally verify several important properties, such as various types of misclassifications will never happen for a given NAP, and there is no ambiguity between different NAPs. We show that by using NAP, we can verify a significant region of the input space, while still recalling 84% of the data on MNIST. Moreover, we can push the verifiable bound to 10 times larger on the CIFAR10 benchmark. Thus, we argue that NAPs can potentially be used as a more reliable and extensible specification for neural network verification.

We present 360Zhinao models with 7B parameter size and context lengths spanning 4K, 32K and 360K, all available at https://github.com/Qihoo360/360zhinao. For rapid development in pretraining, we establish a stable and sensitive ablation environment to evaluate and compare experiment runs with minimal model size. Under such guidance, we perfect our data cleaning and composition strategies to pretrain 360Zhinao-7B-Base on 3.4T tokens. We also mainly emphasize data during alignment, where we strive to balance quantity and quality with filtering and reformatting. With tailored data, 360Zhinao-7B's context window is easily extended to 32K and 360K. RMs and RLHF are trained following SFT and credibly applied to specific tasks. All together these contributions lead to 360Zhinao-7B's competitive performance among models of similar size.

Augmenting LLMs with context leads to improved performance across many applications. Despite much research on Retrieval Augmented Generation (RAG) systems, an open question is whether errors arise because LLMs fail to utilize the context from retrieval or the context itself is insufficient to answer the query. To shed light on this, we develop a new notion of sufficient context, along with a way to classify instances that have enough information to answer the query. We then use sufficient context to analyze several models and datasets. By stratifying errors based on context sufficiency, we find that proprietary LLMs (Gemini, GPT, Claude) excel at answering queries when the context is sufficient, but often output incorrect answers instead of abstaining when the context is not. On the other hand, open-source LLMs (Llama, Mistral, Gemma) hallucinate or abstain often, even with sufficient context. We further categorize cases when the context is useful, and improves accuracy, even though it does not fully answer the query and the model errs without the context. Building on our findings, we explore ways to reduce hallucinations in RAG systems, including a new selective generation method that leverages sufficient context information for guided abstention. Our method improves the fraction of correct answers among times where the model responds by 2-10% for Gemini, GPT, and Gemma.

Continuous Bag of Words (CBOW) is a powerful text embedding method. Due to its strong capabilities to encode word content, CBOW embeddings perform well on a wide range of downstream tasks while being efficient to compute. However, CBOW is not capable of capturing the word order. The reason is that the computation of CBOW's word embeddings is commutative, i.e., embeddings of XYZ and ZYX are the same. In order to address this shortcoming, we propose a learning algorithm for the Continuous Matrix Space Model, which we call Continual Multiplication of Words (CMOW). Our algorithm is an adaptation of word2vec, so that it can be trained on large quantities of unlabeled text. We empirically show that CMOW better captures linguistic properties, but it is inferior to CBOW in memorizing word content. Motivated by these findings, we propose a hybrid model that combines the strengths of CBOW and CMOW. Our results show that the hybrid CBOW-CMOW-model retains CBOW's strong ability to memorize word content while at the same time substantially improving its ability to encode other linguistic information by 8%. As a result, the hybrid also performs better on 8 out of 11 supervised downstream tasks with an average improvement of 1.2%.

Requirement traceability is the process of identifying the inter-dependencies between requirements. It poses a significant challenge when conducted manually, especially when dealing with requirements at various levels of abstraction. In this work, we propose a novel approach to automate the task of linking high-level business requirements with more technical system requirements. The proposed approach begins by representing each requirement using a Bag of-Words (BOW) model combined with the Term Frequency-Inverse Document Frequency (TF-IDF) scoring function. Then, we suggested an enhanced cosine similarity that uses recent advances in word embedding representation to correct traditional cosine similarity function limitations. To evaluate the effectiveness of our approach, we conducted experiments on three well-known datasets: COEST, WARC(NFR), and WARC(FRS). The results demonstrate that our approach significantly improves efficiency compared to existing methods. We achieved better results with an increase of approximately 18.4% in one of the datasets, as measured by the F2 score.

End-to-end speech summarization has been shown to improve performance over cascade baselines. However, such models are difficult to train on very large inputs (dozens of minutes or hours) owing to compute restrictions and are hence trained with truncated model inputs. Truncation leads to poorer models, and a solution to this problem rests in block-wise modeling, i.e., processing a portion of the input frames at a time. In this paper, we develop a method that allows one to train summarization models on very long sequences in an incremental manner. Speech summarization is realized as a streaming process, where hypothesis summaries are updated every block based on new acoustic information. We devise and test strategies to pass semantic context across the blocks. Experiments on the How2 dataset demonstrate that the proposed block-wise training method improves by 3 points absolute on ROUGE-L over a truncated input baseline.

Traditionally, data selection has been studied in settings where all samples from prospective sources are fully revealed to a machine learning developer. However, in practical data exchange scenarios, data providers often reveal only a limited subset of samples before an acquisition decision is made. Recently, there have been efforts to fit scaling laws that predict model performance at any size and data source composition using the limited available samples. However, these scaling functions are black-box, computationally expensive to fit, highly susceptible to overfitting, or/and difficult to optimize for data selection. This paper proposes a framework called <projektor>, which predicts model performance and supports data selection decisions based on partial samples of prospective data sources. Our approach distinguishes itself from existing work by introducing a novel *two-stage* performance inference process. In the first stage, we leverage the Optimal Transport distance to predict the model's performance for any data mixture ratio within the range of disclosed data sizes. In the second stage, we extrapolate the performance to larger undisclosed data sizes based on a novel parameter-free mapping technique inspired by neural scaling laws. We further derive an efficient gradient-based method to select data sources based on the projected model performance. Evaluation over a diverse range of applications demonstrates that <projektor> significantly improves existing performance scaling approaches in terms of both the accuracy of performance inference and the computation costs associated with constructing the performance predictor. Also, <projektor> outperforms by a wide margin in data selection effectiveness compared to a range of other off-the-shelf solutions.

It is believed that in knowledge distillation (KD), the role of the teacher is to provide an estimate for the unknown Bayes conditional probability distribution (BCPD) to be used in the student training process. Conventionally, this estimate is obtained by training the teacher using maximum log-likelihood (MLL) method. To improve this estimate for KD, in this paper we introduce the concept of conditional mutual information (CMI) into the estimation of BCPD and propose a novel estimator called the maximum CMI (MCMI) method. Specifically, in MCMI estimation, both the log-likelihood and CMI of the teacher are simultaneously maximized when the teacher is trained. Through Eigen-CAM, it is further shown that maximizing the teacher's CMI value allows the teacher to capture more contextual information in an image cluster. Via conducting a thorough set of experiments, we show that by employing a teacher trained via MCMI estimation rather than one trained via MLL estimation in various state-of-the-art KD frameworks, the student's classification accuracy consistently increases, with the gain of up to 3.32\%. This suggests that the teacher's BCPD estimate provided by MCMI method is more accurate than that provided by MLL method. In addition, we show that such improvements in the student's accuracy are more drastic in zero-shot and few-shot settings. Notably, the student's accuracy increases with the gain of up to 5.72\% when 5\% of the training samples are available to the student (few-shot), and increases from 0\% to as high as 84\% for an omitted class (zero-shot). The code is available at https://github.com/iclr2024mcmi/ICLRMCMI.

Parameter-efficient fine-tuning (PEFT) methods seek to adapt large models via updates to a small number of weights. However, much prior interpretability work has shown that representations encode rich semantic information, suggesting that editing representations might be a more powerful alternative. Here, we pursue this hypothesis by developing a family of Representation Finetuning (ReFT) methods. ReFT methods operate on a frozen base model and learn task-specific interventions on hidden representations. We define a strong instance of the ReFT family, Low-rank Linear Subspace ReFT (LoReFT). LoReFT is a drop-in replacement for existing PEFTs and learns interventions that are 10x-50x more parameter-efficient than prior state-of-the-art PEFTs. We showcase LoReFT on eight commonsense reasoning tasks, four arithmetic reasoning tasks, Alpaca-Eval v1.0, and GLUE. In all these evaluations, LoReFT delivers the best balance of efficiency and performance, and almost always outperforms state-of-the-art PEFTs. We release a generic ReFT training library publicly at https://github.com/stanfordnlp/pyreft.

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.

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. Existing methods, though effective in various individual applications, often lack theoretical grounding and rigorous testing on extensive benchmarks. As a result, they could even fail on simple tasks, and applying them to a new problem becomes unavoidably difficult. This paper introduces a novel algorithmic framework encompassing existing methods as special cases, unifying the study of training-free guidance into the analysis of an algorithm-agnostic design space. Via theoretical and empirical investigation, we propose an efficient and effective hyper-parameter searching strategy that can be readily applied to any downstream task. We systematically benchmark across 7 diffusion models on 16 tasks with 40 targets, and improve performance by 8.5% on average. Our framework and benchmark offer a solid foundation for conditional generation in a training-free manner.

Recently, there has been a surge of interest in employing neural networks for graph generation, a fundamental statistical learning problem with critical applications like molecule design and community analysis. However, most approaches encounter significant limitations when generating large-scale graphs. This is due to their requirement to output the full adjacency matrices whose size grows quadratically with the number of nodes. In response to this challenge, we introduce a new, simple, and scalable graph representation named gap encoded edge list (GEEL) that has a small representation size that aligns with the number of edges. In addition, GEEL significantly reduces the vocabulary size by incorporating the gap encoding and bandwidth restriction schemes. GEEL can be autoregressively generated with the incorporation of node positional encoding, and we further extend GEEL to deal with attributed graphs by designing a new grammar. Our findings reveal that the adoption of this compact representation not only enhances scalability but also bolsters performance by simplifying the graph generation process. We conduct a comprehensive evaluation across ten non-attributed and two molecular graph generation tasks, demonstrating the effectiveness of GEEL.

In this work, we introduce ChemBFN, a language model that handles chemistry tasks based on Bayesian flow networks working on discrete data. A new accuracy schedule is proposed to improve the sampling quality by significantly reducing the reconstruction loss. We show evidence that our method is appropriate for generating molecules with satisfied diversity even when a smaller number of sampling steps is used. A classifier-free guidance method is adapted for conditional generation. It is also worthwhile to point out that after generative training, our model can be fine-tuned on regression and classification tasks with the state-of-the-art performance, which opens the gate of building all-in-one models in a single module style. Our model has been open sourced at https://github.com/Augus1999/bayesian-flow-network-for-chemistry.

CPU performance prediction, which involves forecasting the performance scores of a CPU based on its hardware characteristics during its operation, is a critical technology for computational system design and resource management in the big data era. However, this research field currently faces two significant challenges. First, collecting real-world data is challenging due to the wide variety of CPU products on the market and the highly specialized nature of relevant hardware characteristics. In the research process, this field lacks a standard dataset with unified hardware characteristics, wide data coverage, and comprehensive benchmarks. Second, existing methods based on hardware simulation models or machine learning exhibit notable shortcomings, such as lengthy simulation test cycles and low prediction accuracy. To bridge these gaps, we first collect, preprocess, and standardize historical data from the 4th Generation Intel Xeon Scalable Processors across multiple benchmark suites to create a new dataset, named PerfCastDB. Subsequently, we design a deep learning based model called Nova CPU Performance Predictor (NCPP) as the baseline for this new dataset. The NCPP network is designed based on group attention mechanism. It effectively quantifies the implicit relationships between hardware characteristics within and across groups and comprehensively models the impact of various hardware characteristics on CPU performance prediction. We conduct comparative experiments using the proposed PerfCastDB dataset. Compared to existing approaches, NCPP achieves superior evaluation results, demonstrating its effectiveness. Furthermore, we have open-sourced part of the dataset and the NCPP network code to facilitate subsequent research. The resources can be accessed at https://github.com/xiaoman-liu/NCPP.

We re-evaluate the standard practice of sharing weights between input and output embeddings in state-of-the-art pre-trained language models. We show that decoupled embeddings provide increased modeling flexibility, allowing us to significantly improve the efficiency of parameter allocation in the input embedding of multilingual models. By reallocating the input embedding parameters in the Transformer layers, we achieve dramatically better performance on standard natural language understanding tasks with the same number of parameters during fine-tuning. We also show that allocating additional capacity to the output embedding provides benefits to the model that persist through the fine-tuning stage even though the output embedding is discarded after pre-training. Our analysis shows that larger output embeddings prevent the model's last layers from overspecializing to the pre-training task and encourage Transformer representations to be more general and more transferable to other tasks and languages. Harnessing these findings, we are able to train models that achieve strong performance on the XTREME benchmark without increasing the number of parameters at the fine-tuning stage.

Lattices are compact representations that encode multiple hypotheses, such as speech recognition results or different word segmentations. It is shown that encoding lattices as opposed to 1-best results generated by automatic speech recognizer (ASR) boosts the performance of spoken language understanding (SLU). Recently, pretrained language models with the transformer architecture have achieved the state-of-the-art results on natural language understanding, but their ability of encoding lattices has not been explored. Therefore, this paper aims at adapting pretrained transformers to lattice inputs in order to perform understanding tasks specifically for spoken language. Our experiments on the benchmark ATIS dataset show that fine-tuning pretrained transformers with lattice inputs yields clear improvement over fine-tuning with 1-best results. Further evaluation demonstrates the effectiveness of our methods under different acoustic conditions. Our code is available at https://github.com/MiuLab/Lattice-SLU

The reliability with Machine Learning (ML) techniques in novel materials discovery often depend on the quality of the dataset, in addition to the relevant features used in describing the material. In this regard, the current study presents and validates a newly processed materials dataset that can be utilized for benchmark ML analysis, as it relates to the prediction and classification of deterministic target properties. Originally, the dataset was extracted from the Open Quantum Materials Database (OQMD) and contains a robust 16,323 samples of ABX3 inorganic perovskite structures. The dataset is tabular in form and is preprocessed to include sixty-one generalized input features that broadly describes the physicochemical, stability/geometrical, and Density Functional Theory (DFT) target properties associated with the elemental ionic sites in a three-dimensional ABX3 polyhedral. For validation, four different ML models are employed to predict three distinctive target properties, namely: formation energy, energy band gap, and crystal system. On experimentation, the best accuracy measurements are reported at 0.013 eV/atom MAE, 0.216 eV MAE, and 85% F1, corresponding to the formation energy prediction, band gap prediction and crystal system multi-classification, respectively. Moreover, the realized results are compared with previous literature and as such, affirms the resourcefulness of the current dataset for future benchmark materials analysis via ML techniques. The preprocessed dataset and source codes are openly available to download from github.com/chenebuah/ML_abx3_dataset.

In multi-document summarization (MDS), the input is a cluster of documents, and the output is the cluster summary. In this paper, we focus on pretraining objectives for MDS. Specifically, we introduce a simple pretraining objective of choosing the ROUGE-based centroid of each document cluster as a proxy for its summary. Our objective thus does not require human written summaries and can be used for pretraining on a dataset containing only clusters of documents. Through zero-shot and fully supervised experiments on multiple MDS datasets, we show that our model Centrum is better or comparable to a state-of-the-art model. We release our pretrained and finetuned models at https://github.com/ratishsp/centrum.

In this paper, we introduce the Instruction Following Score (IFS), a metric that detects language models' ability to follow instructions. The metric has a dual purpose. First, IFS can be used to distinguish between base and instruct models. We benchmark publicly available base and instruct models, and show that the ratio of well formatted responses to partial and full sentences can be an effective measure between those two model classes. Secondly, the metric can be used as an early stopping criteria for instruct tuning. We compute IFS for Supervised Fine-Tuning (SFT) of 7B and 13B LLaMA models, showing that models learn to follow instructions relatively early in the training process, and the further finetuning can result in changes in the underlying base model semantics. As an example of semantics change we show the objectivity of model predictions, as defined by an auxiliary metric ObjecQA. We show that in this particular case, semantic changes are the steepest when the IFS tends to plateau. We hope that decomposing instruct tuning into IFS and semantic factors starts a new trend in better controllable instruct tuning and opens possibilities for designing minimal instruct interfaces querying foundation models.

Transformers achieve remarkable performance in several tasks but due to their quadratic complexity, with respect to the input's length, they are prohibitively slow for very long sequences. To address this limitation, we express the self-attention as a linear dot-product of kernel feature maps and make use of the associativity property of matrix products to reduce the complexity from Oleft(N^2right) to Oleft(Nright), where N is the sequence length. We show that this formulation permits an iterative implementation that dramatically accelerates autoregressive transformers and reveals their relationship to recurrent neural networks. Our linear transformers achieve similar performance to vanilla transformers and they are up to 4000x faster on autoregressive prediction of very long sequences.

We provide a literature review about Automatic Text Summarization (ATS) systems. We consider a citation-based approach. We start with some popular and well-known papers that we have in hand about each topic we want to cover and we have tracked the "backward citations" (papers that are cited by the set of papers we knew beforehand) and the "forward citations" (newer papers that cite the set of papers we knew beforehand). In order to organize the different methods, we present the diverse approaches to ATS guided by the mechanisms they use to generate a summary. Besides presenting the methods, we also present an extensive review of the datasets available for summarization tasks and the methods used to evaluate the quality of the summaries. Finally, we present an empirical exploration of these methods using the CNN Corpus dataset that provides golden summaries for extractive and abstractive methods.

Singing voice synthesis is a generative task that involves multi-dimensional control of the singing model, including lyrics, pitch, and duration, and includes the timbre of the singer and singing skills such as vibrato. In this paper, we proposed SU-net for singing voice synthesis named SUSing. Synthesizing singing voice is treated as a translation task between lyrics and music score and spectrum. The lyrics and music score information is encoded into a two-dimensional feature representation through the convolution layer. The two-dimensional feature and its frequency spectrum are mapped to the target spectrum in an autoregressive manner through a SU-net network. Within the SU-net the stripe pooling method is used to replace the alternate global pooling method to learn the vertical frequency relationship in the spectrum and the changes of frequency in the time domain. The experimental results on the public dataset Kiritan show that the proposed method can synthesize more natural singing voices.

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.

Conditional neural text generation models generate high-quality outputs, but often concentrate around a mode when what we really want is a diverse set of options. We present a search algorithm to construct lattices encoding a massive number of generation options. First, we restructure decoding as a best-first search, which explores the space differently than beam search and improves efficiency by avoiding pruning paths. Second, we revisit the idea of hypothesis recombination: we can identify pairs of similar generation candidates during search and merge them as an approximation. On both summarization and machine translation, we show that our algorithm encodes thousands of diverse options that remain grammatical and high-quality into one lattice. This algorithm provides a foundation for building downstream generation applications on top of massive-scale diverse outputs.

The standard normalization method for neural network (NN) models used in Natural Language Processing (NLP) is layer normalization (LN). This is different than batch normalization (BN), which is widely-adopted in Computer Vision. The preferred use of LN in NLP is principally due to the empirical observation that a (naive/vanilla) use of BN leads to significant performance degradation for NLP tasks; however, a thorough understanding of the underlying reasons for this is not always evident. In this paper, we perform a systematic study of NLP transformer models to understand why BN has a poor performance, as compared to LN. We find that the statistics of NLP data across the batch dimension exhibit large fluctuations throughout training. This results in instability, if BN is naively implemented. To address this, we propose Power Normalization (PN), a novel normalization scheme that resolves this issue by (i) relaxing zero-mean normalization in BN, (ii) incorporating a running quadratic mean instead of per batch statistics to stabilize fluctuations, and (iii) using an approximate backpropagation for incorporating the running statistics in the forward pass. We show theoretically, under mild assumptions, that PN leads to a smaller Lipschitz constant for the loss, compared with BN. Furthermore, we prove that the approximate backpropagation scheme leads to bounded gradients. We extensively test PN for transformers on a range of NLP tasks, and we show that it significantly outperforms both LN and BN. In particular, PN outperforms LN by 0.4/0.6 BLEU on IWSLT14/WMT14 and 5.6/3.0 PPL on PTB/WikiText-103. We make our code publicly available at https://github.com/sIncerass/powernorm.

Few Shot Class Incremental Learning (FSCIL) with few examples per class for each incremental session is the realistic setting of continual learning since obtaining large number of annotated samples is not feasible and cost effective. We present the framework MASIL as a step towards learning the maximal separable classifier. It addresses the common problem i.e forgetting of old classes and over-fitting to novel classes by learning the classifier weights to be maximally separable between classes forming a simplex Equiangular Tight Frame. We propose the idea of concept factorization explaining the collapsed features for base session classes in terms of concept basis and use these to induce classifier simplex for few shot classes. We further adds fine tuning to reduce any error occurred during factorization and train the classifier jointly on base and novel classes without retaining any base class samples in memory. Experimental results on miniImageNet, CIFAR-100 and CUB-200 demonstrate that MASIL outperforms all the benchmarks.

Scaling laws offer valuable insights into the design of time series foundation models (TSFMs). However, previous research has largely focused on the scaling laws of TSFMs for in-distribution (ID) data, leaving their out-of-distribution (OOD) scaling behavior and the influence of model architectures less explored. In this work, we examine two common TSFM architectures, encoder-only and decoder-only Transformers, and investigate their scaling behavior on both ID and OOD data. These models are trained and evaluated across varying parameter counts, compute budgets, and dataset sizes. Our experiments reveal that the log-likelihood loss of TSFMs exhibits similar scaling behavior in both OOD and ID settings. We further compare the scaling properties across different architectures, incorporating two state-of-the-art TSFMs as case studies, showing that model architecture plays a significant role in scaling. The encoder-only Transformers demonstrate better scalability than the decoder-only Transformers, while the architectural enhancements in the two advanced TSFMs primarily improve ID performance but reduce OOD scalability. While scaling up TSFMs is expected to drive performance breakthroughs, the lack of a comprehensive understanding of TSFM scaling laws has hindered the development of a robust framework to guide model scaling. We fill this gap in this work by synthesizing our findings and providing practical guidelines for designing and scaling larger TSFMs with enhanced model capabilities.

Sequences have become first class citizens in supervised learning thanks to the resurgence of recurrent neural networks. Many complex tasks that require mapping from or to a sequence of observations can now be formulated with the sequence-to-sequence (seq2seq) framework which employs the chain rule to efficiently represent the joint probability of sequences. In many cases, however, variable sized inputs and/or outputs might not be naturally expressed as sequences. For instance, it is not clear how to input a set of numbers into a model where the task is to sort them; similarly, we do not know how to organize outputs when they correspond to random variables and the task is to model their unknown joint probability. In this paper, we first show using various examples that the order in which we organize input and/or output data matters significantly when learning an underlying model. We then discuss an extension of the seq2seq framework that goes beyond sequences and handles input sets in a principled way. In addition, we propose a loss which, by searching over possible orders during training, deals with the lack of structure of output sets. We show empirical evidence of our claims regarding ordering, and on the modifications to the seq2seq framework on benchmark language modeling and parsing tasks, as well as two artificial tasks -- sorting numbers and estimating the joint probability of unknown graphical models.

Pre-training foundation models on large-scale datasets demonstrates exceptional performance. However, recent research questions this traditional notion, exploring whether an increase in pre-training data always leads to enhanced model performance. To address this issue, data-effective learning approaches have been introduced. However, current methods in this area lack a clear standard for sample selection. Our experiments reveal that by maximizing V-information, sample selection can be framed as an optimization problem, enabling effective improvement in model performance even with fewer samples. Under this guidance, we develop an optimal data-effective learning method (OptiDEL) to maximize V-information. The OptiDEL method generates hard samples to achieve or even exceed the performance of models trained on the full dataset while using substantially less data. We compare the OptiDEL method with state-of-the-art approaches finding that OptiDEL consistently outperforms existing approaches across different datasets, with foundation models trained on only 5% of the pre-training data surpassing the performance of those trained on the full dataset.

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.

Deep Boltzmann machines (DBMs), one of the first ``deep'' learning methods ever studied, are multi-layered probabilistic models governed by a pairwise energy function that describes the likelihood of all variables/nodes in the network. In practice, DBMs are often constrained, i.e., via the restricted Boltzmann machine (RBM) architecture (which does not permit intra-layer connections), in order to allow for more efficient inference. In this work, we revisit the generic DBM approach, and ask the question: are there other possible restrictions to their design that would enable efficient (approximate) inference? In particular, we develop a new class of restricted model, the monotone DBM, which allows for arbitrary self-connection in each layer, but restricts the weights in a manner that guarantees the existence and global uniqueness of a mean-field fixed point. To do this, we leverage tools from the recently-proposed monotone Deep Equilibrium model and show that a particular choice of activation results in a fixed-point iteration that gives a variational mean-field solution. While this approach is still largely conceptual, it is the first architecture that allows for efficient approximate inference in fully-general weight structures for DBMs. We apply this approach to simple deep convolutional Boltzmann architectures and demonstrate that it allows for tasks such as the joint completion and classification of images, within a single deep probabilistic setting, while avoiding the pitfalls of mean-field inference in traditional RBMs.

This paper is the second in the series Commutative Scaling of Width and Depth (WD) about commutativity of infinite width and depth limits in deep neural networks. Our aim is to understand the behaviour of neural functions (functions that depend on a neural network model) as width and depth go to infinity (in some sense), and eventually identify settings under which commutativity holds, i.e. the neural function tends to the same limit no matter how width and depth limits are taken. In this paper, we formally introduce and define the commutativity framework, and discuss its implications on neural network design and scaling. We study commutativity for the neural covariance kernel which reflects how network layers separate data. Our findings extend previous results established in [55] by showing that taking the width and depth to infinity in a deep neural network with skip connections, when branches are suitably scaled to avoid exploding behaviour, result in the same covariance structure no matter how that limit is taken. This has a number of theoretical and practical implications that we discuss in the paper. The proof techniques in this paper are novel and rely on tools that are more accessible to readers who are not familiar with stochastic calculus (used in the proofs of WD(I))).

It is desirable for statistical models to detect signals of interest independently of their position. If the data is generated by some smooth process, this additional structure should be taken into account. We introduce a new class of neural networks that are shift invariant and preserve smoothness of the data: functional neural networks (FNNs). For this, we use methods from functional data analysis (FDA) to extend multi-layer perceptrons and convolutional neural networks to functional data. We propose different model architectures, show that the models outperform a benchmark model from FDA in terms of accuracy and successfully use FNNs to classify electroencephalography (EEG) data.

This paper is an attempt to explain all the matrix calculus you need in order to understand the training of deep neural networks. We assume no math knowledge beyond what you learned in calculus 1, and provide links to help you refresh the necessary math where needed. Note that you do not need to understand this material before you start learning to train and use deep learning in practice; rather, this material is for those who are already familiar with the basics of neural networks, and wish to deepen their understanding of the underlying math. Don't worry if you get stuck at some point along the way---just go back and reread the previous section, and try writing down and working through some examples. And if you're still stuck, we're happy to answer your questions in the Theory category at forums.fast.ai. Note: There is a reference section at the end of the paper summarizing all the key matrix calculus rules and terminology discussed here. See related articles at http://explained.ai

We present a framework for using transformer networks as universal computers by programming them with specific weights and placing them in a loop. Our input sequence acts as a punchcard, consisting of instructions and memory for data read/writes. We demonstrate that a constant number of encoder layers can emulate basic computing blocks, including embedding edit operations, non-linear functions, function calls, program counters, and conditional branches. Using these building blocks, we emulate a small instruction-set computer. This allows us to map iterative algorithms to programs that can be executed by a looped, 13-layer transformer. We show how this transformer, instructed by its input, can emulate a basic calculator, a basic linear algebra library, and in-context learning algorithms that employ backpropagation. Our work highlights the versatility of the attention mechanism, and demonstrates that even shallow transformers can execute full-fledged, general-purpose programs.

Various visual foundation models have distinct strengths and weaknesses, both of which can be improved through heterogeneous multi-teacher knowledge distillation without labels, termed "agglomerative models." We build upon this body of work by studying the effect of the teachers' activation statistics, particularly the impact of the loss function on the resulting student model quality. We explore a standard toolkit of statistical normalization techniques to better align the different distributions and assess their effects. Further, we examine the impact on downstream teacher-matching metrics, which motivates the use of Hadamard matrices. With these matrices, we demonstrate useful properties, showing how they can be used for isotropic standardization, where each dimension of a multivariate distribution is standardized using the same scale. We call this technique "PHI Standardization" (PHI-S) and empirically demonstrate that it produces the best student model across the suite of methods studied.

We propose a lightweight end-to-end text-to-speech model using multi-band generation and inverse short-time Fourier transform. Our model is based on VITS, a high-quality end-to-end text-to-speech model, but adopts two changes for more efficient inference: 1) the most computationally expensive component is partially replaced with a simple inverse short-time Fourier transform, and 2) multi-band generation, with fixed or trainable synthesis filters, is used to generate waveforms. Unlike conventional lightweight models, which employ optimization or knowledge distillation separately to train two cascaded components, our method enjoys the full benefits of end-to-end optimization. Experimental results show that our model synthesized speech as natural as that synthesized by VITS, while achieving a real-time factor of 0.066 on an Intel Core i7 CPU, 4.1 times faster than VITS. Moreover, a smaller version of the model significantly outperformed a lightweight baseline model with respect to both naturalness and inference speed. Code and audio samples are available from https://github.com/MasayaKawamura/MB-iSTFT-VITS.

We introduce a model-based asynchronous multi-fidelity method for hyperparameter and neural architecture search that combines the strengths of asynchronous Hyperband and Gaussian process-based Bayesian optimization. At the heart of our method is a probabilistic model that can simultaneously reason across hyperparameters and resource levels, and supports decision-making in the presence of pending evaluations. We demonstrate the effectiveness of our method on a wide range of challenging benchmarks, for tabular data, image classification and language modelling, and report substantial speed-ups over current state-of-the-art methods. Our new methods, along with asynchronous baselines, are implemented in a distributed framework which will be open sourced along with this publication.

Efficiently capturing the long-range patterns in sequential data sources salient to a given task -- such as classification and generative modeling -- poses a fundamental challenge. Popular approaches in the space tradeoff between the memory burden of brute-force enumeration and comparison, as in transformers, the computational burden of complicated sequential dependencies, as in recurrent neural networks, or the parameter burden of convolutional networks with many or large filters. We instead take inspiration from wavelet-based multiresolution analysis to define a new building block for sequence modeling, which we call a MultiresLayer. The key component of our model is the multiresolution convolution, capturing multiscale trends in the input sequence. Our MultiresConv can be implemented with shared filters across a dilated causal convolution tree. Thus it garners the computational advantages of convolutional networks and the principled theoretical motivation of wavelet decompositions. Our MultiresLayer is straightforward to implement, requires significantly fewer parameters, and maintains at most a O(Nlog N) memory footprint for a length N sequence. Yet, by stacking such layers, our model yields state-of-the-art performance on a number of sequence classification and autoregressive density estimation tasks using CIFAR-10, ListOps, and PTB-XL datasets.

Hallucination plagues even frontier LLMs--but how bad is it really for summarizing academic papers? We evaluate Factored Verification, a simple automated method for detecting hallucinations in abstractive summaries. This method sets a new SotA on hallucination detection in the summarization task of the HaluEval benchmark, achieving 76.2% accuracy. We then use this method to estimate how often language models hallucinate when summarizing across multiple academic papers and find 0.62 hallucinations in the average ChatGPT (16k) summary, 0.84 for GPT-4, and 1.55 for Claude 2. We ask models to self-correct using Factored Critiques and find that this lowers the number of hallucinations to 0.49 for ChatGPT, 0.46 for GPT-4, and 0.95 for Claude 2. The hallucinations we find are often subtle, so we advise caution when using models to synthesize academic papers.

"Forward-only" algorithms, which train neural networks while avoiding a backward pass, have recently gained attention as a way of solving the biologically unrealistic aspects of backpropagation. Here, we first address compelling challenges related to the "forward-only" rules, which include reducing the performance gap with backpropagation and providing an analytical understanding of their dynamics. To this end, we show that the forward-only algorithm with top-down feedback is well-approximated by an "adaptive-feedback-alignment" algorithm, and we analytically track its performance during learning in a prototype high-dimensional setting. Then, we compare different versions of forward-only algorithms, focusing on the Forward-Forward and PEPITA frameworks, and we show that they share the same learning principles. Overall, our work unveils the connections between three key neuro-inspired learning rules, providing a link between "forward-only" algorithms, i.e., Forward-Forward and PEPITA, and an approximation of backpropagation, i.e., Feedback Alignment.