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We propose a novel neural algorithm for the fundamental problem of computing the entropic optimal transport (EOT) plan between continuous probability distributions which are accessible by samples. Our algorithm is based on the saddle point reformulation of the dynamic version of EOT which is known as the Schr\"odinger Bridge problem. In contrast to the prior methods for large-scale EOT, our algorithm is end-to-end and consists of a single learning step, has fast inference procedure, and allows handling small values of the entropy regularization coefficient which is of particular importance in some applied problems. Empirically, we show the performance of the method on several large-scale EOT tasks. //github.com/ngushchin/EntropicNeuralOptimalTransport

Bayesian Neural Networks (BNNs) provide a probabilistic interpretation for deep learning models by imposing a prior distribution over model parameters and inferring a posterior distribution based on observed data. The model sampled from the posterior distribution can be used for providing ensemble predictions and quantifying prediction uncertainty. It is well-known that deep learning models with lower sharpness have better generalization ability. However, existing posterior inferences are not aware of sharpness/flatness in terms of formulation, possibly leading to high sharpness for the models sampled from them. In this paper, we develop theories, the Bayesian setting, and the variational inference approach for the sharpness-aware posterior. Specifically, the models sampled from our sharpness-aware posterior, and the optimal approximate posterior estimating this sharpness-aware posterior, have better flatness, hence possibly possessing higher generalization ability. We conduct experiments by leveraging the sharpness-aware posterior with state-of-the-art Bayesian Neural Networks, showing that the flat-seeking counterparts outperform their baselines in all metrics of interest.

The multistate Bennett acceptance ratio (MBAR) method is a prevalent approach for computing free energies of thermodynamic states. In this work, we introduce BayesMBAR, a Bayesian generalization of the MBAR method. By integrating configurations sampled from thermodynamic states with a prior distribution, BayesMBAR computes a posterior distribution of free energies. Using the posterior distribution, we derive free energy estimations and compute their associated uncertainties. Notably, when a uniform prior distribution is used, BayesMBAR recovers the MBAR's result but provides more accurate uncertainty estimates. Additionally, when prior knowledge about free energies is available, BayesMBAR can incorporate this information into the estimation procedure by using non-uniform prior distributions. As an example, we show that, by incorporating the prior knowledge about the smoothness of free energy surfaces, BayesMBAR provides more accurate estimates than the MBAR method. Given MBAR's widespread use in free energy calculations, we anticipate BayesMBAR to be an essential tool in various applications of free energy calculations.

Large language models (LLMs) recently exhibited remarkable reasoning capabilities on solving math problems. To further improve this capability, this work proposes Learning from Mistakes (LeMa), akin to human learning processes. Consider a human student who failed to solve a math problem, he will learn from what mistake he has made and how to correct it. Mimicking this error-driven learning process, LeMa fine-tunes LLMs on mistake-correction data pairs generated by GPT-4. Specifically, we first collect inaccurate reasoning paths from various LLMs and then employ GPT-4 as a "corrector" to (1) identify the mistake step, (2) explain the reason for the mistake, and (3) correct the mistake and generate the final answer. Experimental results demonstrate the effectiveness of LeMa: across five backbone LLMs and two mathematical reasoning tasks, LeMa consistently improves the performance compared with fine-tuning on CoT data alone. Impressively, LeMa can also benefit specialized LLMs such as WizardMath and MetaMath, achieving 85.4% pass@1 accuracy on GSM8K and 27.1% on MATH. This surpasses the SOTA performance achieved by non-execution open-source models on these challenging tasks. Our code, data and models will be publicly available at //github.com/microsoft/CodeT.

We introduce a novel graph-based framework for alleviating key challenges in distantly-supervised relation extraction and demonstrate its effectiveness in the challenging and important domain of biomedical data. Specifically, we propose a graph view of sentence bags referring to an entity pair, which enables message-passing based aggregation of information related to the entity pair over the sentence bag. The proposed framework alleviates the common problem of noisy labeling in distantly supervised relation extraction and also effectively incorporates inter-dependencies between sentences within a bag. Extensive experiments on two large-scale biomedical relation datasets and the widely utilized NYT dataset demonstrate that our proposed framework significantly outperforms the state-of-the-art methods for biomedical distant supervision relation extraction while also providing excellent performance for relation extraction in the general text mining domain.

We study the problem of communication-efficient distributed vector mean estimation, a commonly used subroutine in distributed optimization and Federated Learning (FL). Rand-$k$ sparsification is a commonly used technique to reduce communication cost, where each client sends $k < d$ of its coordinates to the server. However, Rand-$k$ is agnostic to any correlations, that might exist between clients in practical scenarios. The recently proposed Rand-$k$-Spatial estimator leverages the cross-client correlation information at the server to improve Rand-$k$'s performance. Yet, the performance of Rand-$k$-Spatial is suboptimal. We propose the Rand-Proj-Spatial estimator with a more flexible encoding-decoding procedure, which generalizes the encoding of Rand-$k$ by projecting the client vectors to a random $k$-dimensional subspace. We utilize Subsampled Randomized Hadamard Transform (SRHT) as the projection matrix and show that Rand-Proj-Spatial with SRHT outperforms Rand-$k$-Spatial, using the correlation information more efficiently. Furthermore, we propose an approach to incorporate varying degrees of correlation and suggest a practical variant of Rand-Proj-Spatial when the correlation information is not available to the server. Experiments on real-world distributed optimization tasks showcase the superior performance of Rand-Proj-Spatial compared to Rand-$k$-Spatial and other more sophisticated sparsification techniques.

In unsupervised causal representation learning for sequential data with time-delayed latent causal influences, strong identifiability results for the disentanglement of causally-related latent variables have been established in stationary settings by leveraging temporal structure. However, in nonstationary setting, existing work only partially addressed the problem by either utilizing observed auxiliary variables (e.g., class labels and/or domain indexes) as side information or assuming simplified latent causal dynamics. Both constrain the method to a limited range of scenarios. In this study, we further explored the Markov Assumption under time-delayed causally related process in nonstationary setting and showed that under mild conditions, the independent latent components can be recovered from their nonlinear mixture up to a permutation and a component-wise transformation, without the observation of auxiliary variables. We then introduce NCTRL, a principled estimation framework, to reconstruct time-delayed latent causal variables and identify their relations from measured sequential data only. Empirical evaluations demonstrated the reliable identification of time-delayed latent causal influences, with our methodology substantially outperforming existing baselines that fail to exploit the nonstationarity adequately and then, consequently, cannot distinguish distribution shifts.

This paper proposes a generalized Firefly Algorithm (FA) to solve an optimization framework having objective function and constraints as multivariate functions of independent optimization variables. Four representative examples of how the proposed generalized FA can be adopted to solve downlink beamforming problems are shown for a classic transmit beamforming, cognitive beamforming, reconfigurable-intelligent-surfaces-aided (RIS-aided) transmit beamforming, and RIS-aided wireless power transfer (WPT). Complexity analyzes indicate that in large-antenna regimes the proposed FA approaches require less computational complexity than their corresponding interior point methods (IPMs) do, yet demand a higher complexity than the iterative and the successive convex approximation (SCA) approaches do. Simulation results reveal that the proposed FA attains the same global optimal solution as that of the IPM for an optimization problem in cognitive beamforming. On the other hand, the proposed FA approaches outperform the iterative, IPM and SCA in terms of obtaining better solution for optimization problems, respectively, for a classic transmit beamforming, RIS-aided transmit beamforming and RIS-aided WPT.

Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.

The dominant sequence transduction models are based on complex recurrent or convolutional neural networks in an encoder-decoder configuration. The best performing models also connect the encoder and decoder through an attention mechanism. We propose a new simple network architecture, the Transformer, based solely on attention mechanisms, dispensing with recurrence and convolutions entirely. Experiments on two machine translation tasks show these models to be superior in quality while being more parallelizable and requiring significantly less time to train. Our model achieves 28.4 BLEU on the WMT 2014 English-to-German translation task, improving over the existing best results, including ensembles by over 2 BLEU. On the WMT 2014 English-to-French translation task, our model establishes a new single-model state-of-the-art BLEU score of 41.8 after training for 3.5 days on eight GPUs, a small fraction of the training costs of the best models from the literature. We show that the Transformer generalizes well to other tasks by applying it successfully to English constituency parsing both with large and limited training data.