Chain-of-thought (CoT) is a method that enables language models to handle complex reasoning tasks by decomposing them into simpler steps. Despite its success, the underlying mechanics of CoT are not yet fully understood. In an attempt to shed light on this, our study investigates the impact of CoT on the ability of transformers to in-context learn a simple to study, yet general family of compositional functions: multi-layer perceptrons (MLPs). In this setting, we find that the success of CoT can be attributed to breaking down in-context learning of a compositional function into two distinct phases: focusing on and filtering data related to each step of the composition and in-context learning the single-step composition function. Through both experimental and theoretical evidence, we demonstrate how CoT significantly reduces the sample complexity of in-context learning (ICL) and facilitates the learning of complex functions that non-CoT methods struggle with. Furthermore, we illustrate how transformers can transition from vanilla in-context learning to mastering a compositional function with CoT by simply incorporating additional layers that perform the necessary data-filtering for CoT via the attention mechanism. In addition to these test-time benefits, we show CoT helps accelerate pretraining by learning shortcuts to represent complex functions and filtering plays an important role in this process. These findings collectively provide insights into the mechanics of CoT, inviting further investigation of its role in complex reasoning tasks.

Convolutional Neural Networks (CNNs) are the go-to model for computer vision. Recently, attention-based networks, such as the Vision Transformer, have also become popular. In this paper we show that while convolutions and attention are both sufficient for good performance, neither of them are necessary. We present MLP-Mixer, an architecture based exclusively on multi-layer perceptrons (MLPs). MLP-Mixer contains two types of layers: one with MLPs applied independently to image patches (i.e.

Recent research has shown that graph neural networks (GNNs) can learn policies for locomotion control that are as effective as a typical multi-layer perceptron (MLP), with superior transfer and multi-task performance. However, results have so far been limited to training on small agents, with the performance of GNNs deteriorating rapidly as the number of sensors and actuators grows. A key motivation for the use of GNNs in the supervised learning setting is their applicability to large graphs, but this benefit has not yet been realised for locomotion control. We show that poor scaling in GNNs is a result of increasingly unstable policy updates, caused by overfitting in parts of the network during training. To combat this, we introduce Snowflake, a GNN training method for high-dimensional continuous control that freezes parameters in selected parts of the network. Snowflake significantly boosts the performance of GNNs for locomotion control on large agents, now matching the performance of MLPs while offering superior transfer properties.

Tabular datasets are the last unconquered castle for deep learning, with traditional ML methods like Gradient-Boosted Decision Trees still performing strongly even against recent specialized neural architectures. In this paper, we hypothesize that the key to boosting the performance of neural networks lies in rethinking the joint and simultaneous application of a large set of modern regularization techniques. As a result, we propose regularizing plain Multilayer Perceptron (MLP) networks by searching for the optimal combination/cocktail of 13 regularization techniques for each dataset using a joint optimization over the decision on which regularizers to apply and their subsidiary hyperparameters. We empirically assess the impact of these regularization cocktails for MLPs in a large-scale empirical study comprising 40 tabular datasets and demonstrate that (i) well-regularized plain MLPs significantly outperform recent state-of-the-art specialized neural network architectures, and (ii) they even outperform strong traditional ML methods, such as XGBoost.

In recent years there has been a considerable amount of research on local post hoc explanations for neural networks. However, work on building interpretable neural architectures has been relatively sparse. In this paper, we present a novel neural architecture, CoFrNet, inspired by the form of continued fractions which are known to have many attractive properties in number theory, such as fast convergence of approximations to real numbers. We show that CoFrNets can be efficiently trained as well as interpreted leveraging their particular functional form. Moreover, we prove that such architectures are universal approximators based on a proof strategy that is different than the typical strategy used to prove universal approximation results for neural networks based on infinite width (or depth), which is likely to be of independent interest. We experiment on nonlinear synthetic functions and are able to accurately model as well as estimate feature attributions and even higher order terms in some cases, which is a testament to the representational power as well as interpretability of such architectures. To further showcase the power of CoFrNets, we experiment on seven real datasets spanning tabular, text and image modalities, and show that they are either comparable or significantly better than other interpretable models and multilayer perceptrons, sometimes approaching the accuracies of state-of-the-art models.

For classification and regression on tabular data, the dominance of gradient-boosted decision trees (GBDTs) has recently been challenged by often much slower deep learning methods with extensive hyperparameter tuning. We address this discrepancy by introducing (a) RealMLP, an improved multilayer perceptron (MLP), and (b) strong meta-tuned default parameters for GBDTs and RealMLP. We tune RealMLP and the default parameters on a meta-train benchmark with 118 datasets and compare them to hyperparameter-optimized versions on a disjoint meta-test benchmark with 90 datasets, as well as the GBDT-friendly benchmark by Grinsztajn et al. (2022). Our benchmark results on medium-to-large tabular datasets (1K--500K samples) show that RealMLP offers a favorable time-accuracy tradeoff compared to other neural baselines and is competitive with GBDTs in terms of benchmark scores. Moreover, a combination of RealMLP and GBDTs with improved default parameters can achieve excellent results without hyperparameter tuning. Finally, we demonstrate that some of RealMLP's improvements can also considerably improve the performance of TabR with default parameters.

A recent Graph Neural Network (GNN) approach for learning to branch has been shown to successfully reduce the running time of branch-and-bound algorithms for Mixed Integer Linear Programming (MILP). While the GNN relies on a GPU for inference, MILP solvers are purely CPU-based. This severely limits its application as many practitioners may not have access to high-end GPUs. In this work, we ask two key questions. First, in a more realistic setting where only a CPU is available, is the GNN model still competitive? Second, can we devise an alternate computationally inexpensive model that retains the predictive power of the GNN architecture? We answer the first question in the negative, and address the second question by proposing a new hybrid architecture for efficient branching on CPU machines. The proposed architecture combines the expressive power of GNNs with computationally inexpensive multi-layer perceptrons (MLP) for branching. We evaluate our methods on four classes of MILP problems, and show that they lead to up to 26% reduction in solver running time compared to state-of-the-art methods without a GPU, while extrapolating to harder problems than it was trained on.

Large language models (LLMs) have shown impressive performance on language tasks but face challenges when deployed on resource-constrained devices due to their extensive parameters and reliance on dense multiplications, resulting in high memory demands and latency bottlenecks. Shift-and-add reparameterization offers a promising solution by replacing costly multiplications with hardware-friendly primitives in both the attention and multi-layer perceptron (MLP) layers of an LLM. However, current reparameterization techniques require training from scratch or full parameter fine-tuning to restore accuracy, which is resource-intensive for LLMs. To address this, we propose accelerating pretrained LLMs through post-training shift-and-add reparameterization, creating efficient multiplication-free models, dubbed ShiftAddLLM. Specifically, we quantize each weight matrix into binary matrices paired with group-wise scaling factors. The associated multiplications are reparameterized into (1) shifts between activations and scaling factors and (2) queries and adds according to the binary matrices. To reduce accuracy loss, we present a multi-objective optimization method to minimize both weight and output activation reparameterization errors. Additionally, based on varying sensitivity across layers to reparameterization, we develop an automated bit allocation strategy to further reduce memory usage and latency. Experiments on five LLM families and eight tasks consistently validate the effectiveness of ShiftAddLLM, achieving average perplexity reductions of 5.6 and 22.7 points at comparable or lower latency compared to the most competitive quantized LLMs at 3-and 2-bit precision, respectively, and more than 80% memory and energy reductions over the original LLMs.

Regularization can mitigate the generalization gap between training and inference by introducing inductive bias. Existing works have already proposed various inductive biases from diverse perspectives. However, none of them explores inductive bias from the perspective of class-dependent response distribution of individual neurons. In this paper, we conduct a substantial analysis of the characteristics of such distribution. Based on the analysis results, we articulate the Neuron Steadiness Hypothesis: the neuron with similar responses to instances of the same class leads to better generalization. Accordingly, we propose a new regularization method called Neuron Steadiness Regularization (NSR) to reduce neuron intra-class response variance. Based on the Complexity Measure, we theoretically guarantee the effectiveness of NSR for improving generalization. We conduct extensive experiments on Multilayer Perceptron, Convolutional Neural Networks, and Graph Neural Networks with popular benchmark datasets of diverse domains, which show that our Neuron Steadiness Regularization consistently outperforms the vanilla version of models with significant gain and low additional computational overhead.

Steerable convolutional neural networks (CNNs) provide a general framework for building neural networks equivariant to translations and transformations of an origin-preserving group $G$, such as reflections and rotations. They rely on standard convolutions with $G$-steerable kernels obtained by analytically solving the group-specific equivariance constraint imposed onto the kernel space. As the solution is tailored to a particular group $G$, implementing a kernel basis does not generalize to other symmetry transformations, complicating the development of general group equivariant models. We propose using implicit neural representation via multi-layer perceptrons (MLPs) to parameterize $G$-steerable kernels. The resulting framework offers a simple and flexible way to implement Steerable CNNs and generalizes to any group $G$ for which a $G$-equivariant MLP can be built. We prove the effectiveness of our method on multiple tasks, including N-body simulations, point cloud classification and molecular property prediction.