The evaluation of clustering algorithms can involve running them on a variety of benchmark problems, and comparing their outputs to the reference, ground-truth groupings provided by experts. Unfortunately, many research papers and graduate theses consider only a small number of datasets. Also, the fact that there can be many equally valid ways to cluster a given problem set is rarely taken into account. In order to overcome these limitations, we have developed a framework whose aim is to introduce a consistent methodology for testing clustering algorithms. Furthermore, we have aggregated, polished, and standardised many clustering benchmark dataset collections referred to across the machine learning and data mining literature, and included new datasets of different dimensionalities, sizes, and cluster types. An interactive datasets explorer, the documentation of the Python API, a description of the ways to interact with the framework from other programming languages such as R or MATLAB, and other details are all provided at .

We demonstrate the versatility of mean-field games (MFGs) as a mathematical framework for explaining, enhancing, and designing generative models. In generative flows, a Lagrangian formulation is used where each particle (generated sample) aims to minimize a loss function over its simulated path. The loss, however, is dependent on the paths of other particles, which leads to a competition among the population of particles. The asymptotic behavior of this competition yields a mean-field game. We establish connections between MFGs and major classes of generative flows and diffusions including continuous-time normalizing flows, score-based generative models (SGM), and Wasserstein gradient flows. Furthermore, we study the mathematical properties of each generative model by studying their associated MFG's optimality condition, which is a set of coupled forward-backward nonlinear partial differential equations. The mathematical structure described by the MFG optimality conditions identifies the inductive biases of generative flows. We investigate the well-posedness and structure of normalizing flows, unravel the mathematical structure of SGMs, and derive a MFG formulation of Wasserstein gradient flows. From an algorithmic perspective, the optimality conditions yields Hamilton-Jacobi-Bellman (HJB) regularizers for enhanced training of generative models. In particular, we propose and demonstrate an HJB-regularized SGM with improved performance over standard SGMs. We present this framework as an MFG laboratory which serves as a platform for revealing new avenues of experimentation and invention of generative models.

Given a set of arms $\mathcal{Z}\subset \mathbb{R}^d$ and an unknown parameter vector $\theta_\ast\in\mathbb{R}^d$, the pure exploration linear bandit problem aims to return $\arg\max_{z\in \mathcal{Z}} z^{\top}\theta_{\ast}$, with high probability through noisy measurements of $x^{\top}\theta_{\ast}$ with $x\in \mathcal{X}\subset \mathbb{R}^d$. Existing (asymptotically) optimal methods require either a) potentially costly projections for each arm $z\in \mathcal{Z}$ or b) explicitly maintaining a subset of $\mathcal{Z}$ under consideration at each time. This complexity is at odds with the popular and simple Thompson Sampling algorithm for regret minimization, which just requires access to a posterior sampling and argmax oracle, and does not need to enumerate $\mathcal{Z}$ at any point. Unfortunately, Thompson sampling is known to be sub-optimal for pure exploration. In this work, we pose a natural question: is there an algorithm that can explore optimally and only needs the same computational primitives as Thompson Sampling? We answer the question in the affirmative. We provide an algorithm that leverages only sampling and argmax oracles and achieves an exponential convergence rate, with the exponent being the optimal among all possible allocations asymptotically. In addition, we show that our algorithm can be easily implemented and performs as well empirically as existing asymptotically optimal methods.

Despite the promise of Mixture of Experts (MoE) models in increasing parameter counts of Transformer models while maintaining training and inference costs, their application carries notable drawbacks. The key strategy of these models is to, for each processed token, activate at most a few experts - subsets of an extensive feed-forward layer. But this approach is not without its challenges. The operation of matching experts and tokens is discrete, which makes MoE models prone to issues like training instability and uneven expert utilization. Existing techniques designed to address these concerns, such as auxiliary losses or balance-aware matching, result either in lower model performance or are more difficult to train. In response to these issues, we propose Mixture of Tokens, a fully-differentiable model that retains the benefits of MoE architectures while avoiding the aforementioned difficulties. Rather than routing tokens to experts, this approach mixes tokens from different examples prior to feeding them to experts, enabling the model to learn from all token-expert combinations. Importantly, this mixing can be disabled to avoid mixing of different sequences during inference. Crucially, this method is fully compatible with both masked and causal Large Language Model training and inference.

The core principle of Variational Inference (VI) is to convert the statistical inference problem of computing complex posterior probability densities into a tractable optimization problem. This property enables VI to be faster than several sampling-based techniques. However, the traditional VI algorithm is not scalable to large data sets and is unable to readily infer out-of-bounds data points without re-running the optimization process. Recent developments in the field, like stochastic-, black box-, and amortized-VI, have helped address these issues. Generative modeling tasks nowadays widely make use of amortized VI for its efficiency and scalability, as it utilizes a parameterized function to learn the approximate posterior density parameters. In this paper, we review the mathematical foundations of various VI techniques to form the basis for understanding amortized VI. Additionally, we provide an overview of the recent trends that address several issues of amortized VI, such as the amortization gap, generalization issues, inconsistent representation learning, and posterior collapse. Finally, we analyze alternate divergence measures that improve VI optimization.

Automatic data selection and curriculum design for training large language models is challenging, with only a few existing methods showing improvements over standard training. Furthermore, current schemes focus on domain-level selection, overlooking the more fine-grained contributions of each individual training point. It is difficult to apply traditional datapoint selection methods on large language models: most online batch selection methods perform two-times forward or backward passes, which introduces considerable extra costs with large-scale models. To mitigate these obstacles, we propose irreducible curriculum as a curriculum learning algorithm for language model pretraining, which prioritizes samples with higher learnability. Specifically, to avoid prohibitive extra computation overhead, we simulate the sample loss along the main model's training trajectory using a small-scale proxy model. Our experiments on the RedPajama-1B dataset demonstrate a consistent improvement on validation perplexity across all 7 domains compared to random uniform baseline and the anti-curriculum strategy. Our method also reduces the sharpness of the network and illustrates a better 5-shot accuracy on MMLU benchmarks.

Lagrangian relaxation stands among the most efficient approaches for solving a Mixed Integer Linear Programs (MILP) with difficult constraints. Given any duals for these constraints, called Lagrangian Multipliers (LMs), it returns a bound on the optimal value of the MILP, and Lagrangian methods seek the LMs giving the best such bound. But these methods generally rely on iterative algorithms resembling gradient descent to maximize the concave piecewise linear dual function: the computational burden grows quickly with the number of relaxed constraints. We introduce a deep learning approach that bypasses the descent, effectively amortizing the local, per instance, optimization. A probabilistic encoder based on a graph convolutional network computes high-dimensional representations of relaxed constraints in MILP instances. A decoder then turns these representations into LMs. We train the encoder and decoder jointly by directly optimizing the bound obtained from the predicted multipliers. Numerical experiments show that our approach closes up to 85~\% of the gap between the continuous relaxation and the best Lagrangian bound, and provides a high quality warm-start for descent based Lagrangian methods.

Data preprocessing is a crucial part of any machine learning pipeline, and it can have a significant impact on both performance and training efficiency. This is especially evident when using deep neural networks for time series prediction and classification: real-world time series data often exhibit irregularities such as multi-modality, skewness and outliers, and the model performance can degrade rapidly if these characteristics are not adequately addressed. In this work, we propose the EDAIN (Extended Deep Adaptive Input Normalization) layer, a novel adaptive neural layer that learns how to appropriately normalize irregular time series data for a given task in an end-to-end fashion, instead of using a fixed normalization scheme. This is achieved by optimizing its unknown parameters simultaneously with the deep neural network using back-propagation. Our experiments, conducted using synthetic data, a credit default prediction dataset, and a large-scale limit order book benchmark dataset, demonstrate the superior performance of the EDAIN layer when compared to conventional normalization methods and existing adaptive time series preprocessing layers.

We now have rigorous convergence guarantees that, for certain well-behaved posteriors, BBVI achieves a convergence rate of (1), corresponding We prove that black-box variational inference to a computational complexity of (1)(Domke et al., (BBVI) with control variates, particularly 2023a; Kim et al., 2023b). A remaining theoretical question the sticking-the-landing(STL) estimator, is whether BBVI can achieve better rates, in particular converges at a geometric (traditionally called geometric convergence rates, which is traditionally "linear") rate under perfect variational family called "linear" convergence in the optimization literature specification. In particular, we prove a (see the textbook by Nesterov 2004, 1.2.3), correspondingtoacomplexityof(log(1)).

Developing efficient solutions for inference problems in intelligent sensor networks is crucial for the next generation of location, tracking, and mapping services. This paper develops a scalable distributed probabilistic inference algorithm that applies to continuous variables, intractable posteriors and large-scale real-time data in sensor networks. In a centralized setting, variational inference is a fundamental technique for performing approximate Bayesian estimation, in which an intractable posterior density is approximated with a parametric density. Our key contribution lies in the derivation of a separable lower bound on the centralized estimation objective, which enables distributed variational inference with one-hop communication in a sensor network. Our distributed evidence lower bound (DELBO) consists of a weighted sum of observation likelihood and divergence to prior densities, and its gap to the measurement evidence is due to consensus and modeling errors. To solve binary classification and regression problems while handling streaming data, we design an online distributed algorithm that maximizes DELBO, and specialize it to Gaussian variational densities with non-linear likelihoods. The resulting distributed Gaussian variational inference (DGVI) efficiently inverts a $1$-rank correction to the covariance matrix. Finally, we derive a diagonalized version for online distributed inference in high-dimensional models, and apply it to multi-robot probabilistic mapping using indoor LiDAR data.