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Unobserved confounding is common in many applications, making causal inference from observational data challenging. As a remedy, causal sensitivity analysis is an important tool to draw causal conclusions under unobserved confounding with mathematical guarantees. In this paper, we propose NeuralCSA, a neural framework for generalized causal sensitivity analysis. Unlike previous work, our framework is compatible with (i) a large class of sensitivity models, including the marginal sensitivity model, f-sensitivity models, and Rosenbaum's sensitivity model; (ii) different treatment types (i.e., binary and continuous); and (iii) different causal queries, including (conditional) average treatment effects and simultaneous effects on multiple outcomes. The generality of \frameworkname is achieved by learning a latent distribution shift that corresponds to a treatment intervention using two conditional normalizing flows. We provide theoretical guarantees that NeuralCSA is able to infer valid bounds on the causal query of interest and also demonstrate this empirically using both simulated and real-world data.

Learnable embedding vector is one of the most important applications in machine learning, and is widely used in various database-related domains. However, the high dimensionality of sparse data in recommendation tasks and the huge volume of corpus in retrieval-related tasks lead to a large memory consumption of the embedding table, which poses a great challenge to the training and deployment of models. Recent research has proposed various methods to compress the embeddings at the cost of a slight decrease in model quality or the introduction of other overheads. Nevertheless, the relative performance of these methods remains unclear. Existing experimental comparisons only cover a subset of these methods and focus on limited metrics. In this paper, we perform a comprehensive comparative analysis and experimental evaluation of embedding compression. We introduce a new taxonomy that categorizes these techniques based on their characteristics and methodologies, and further develop a modular benchmarking framework that integrates 14 representative methods. Under a uniform test environment, our benchmark fairly evaluates each approach, presents their strengths and weaknesses under different memory budgets, and recommends the best method based on the use case. In addition to providing useful guidelines, our study also uncovers the limitations of current methods and suggests potential directions for future research.

The self-random number generation (SRNG) problem is considered for general setting. In the literature, the optimum SRNG rate with respect to the variational distance has been discussed. In this paper, we first try to characterize the optimum SRNG rate with respect to a subclass of $f$-divergences. The subclass of $f$-divergences considered in this paper includes typical distance measures such as the variational distance, the KL divergence, the Hellinger distance and so on. Hence our result can be considered as a generalization of the previous result with respect to the variational distance. Next, we consider the obtained optimum SRNG rate from several viewpoints. The $\varepsilon$-source coding problem is one of related problems with the SRNG problem. Our results reveal how the SRNG problem with the $f$-divergence relate to the $\varepsilon$-fixed-length source coding problem. We also apply our results to the rate distortion perception (RDP) function. As a result, we can establish a lower bound for the RDP function with respect to $f$-divergences using our findings. Finally, we discuss the representation of the optimum SRNG rate using the smooth R\'enyi entropy.

Optimal transportation is a fundamental topic that has attracted a great amount of attention from machine learning community in the past decades. In this paper, we consider an interesting discrete dynamic optimal transport problem: can we efficiently update the optimal transport plan when the weights or the locations of the data points change? This problem is naturally motivated by several applications in machine learning. For example, we often need to compute the optimal transportation cost between two different data sets; if some change happens to a few data points, should we re-compute the high complexity cost function or update the cost by some efficient dynamic data structure? We are aware that several dynamic maximum flow algorithms have been proposed before, however, the research on dynamic minimum cost flow problem is still quite limited, to the best of our knowledge. We propose a novel 2D Skip Orthogonal List together with some dynamic tree techniques. Although our algorithm is based on the conventional simplex method, it can efficiently complete each pivoting operation within $O(|V|)$ time with high probability where $V$ is the set of all supply and demand nodes. Since dynamic modifications typically do not introduce significant changes, our algorithm requires only a few simplex iterations in practice. So our algorithm is more efficient than re-computing the optimal transportation cost that needs at least one traversal over all the $O(|E|) = O(|V|^2)$ variables in general cases. Our experiments demonstrate that our algorithm significantly outperforms existing algorithms in the dynamic scenarios.

Molecular communication (MC) is a paradigm that employs molecules as information transmitters, hence, requiring unconventional transceivers and detection techniques for the Internet of Bio-Nano Things (IoBNT). In this study, we provide a novel MC model that incorporates a spherical transmitter and receiver with partial absorption. This model offers a more realistic representation than receiver architectures in literature, e.g. passive or entirely absorbing configurations. An optimization-based technique utilizing particle swarm optimization (PSO) is employed to accurately estimate the cumulative number of molecules received. This technique yields nearly constant correction parameters and demonstrates a significant improvement of 5 times in terms of root mean square error (RMSE). The estimated channel model provides an approximate analytical impulse response; hence, it is used for estimating channel parameters such as distance, diffusion coefficient, or a combination of both. We apply iterative maximum likelihood estimation (MLE) for the parameter estimation, which gives consistent errors compared to the estimated Cramer-Rao Lower Bound (CLRB).

Computational fluid dynamics (CFD) simulation is an irreplaceable modelling step in many engineering designs, but it is often computationally expensive. Some graph neural network (GNN)-based CFD methods have been proposed. However, the current methods inherit the weakness of traditional numerical simulators, as well as ignore the cell characteristics in the mesh used in the finite volume method, a common method in practical CFD applications. Specifically, the input nodes in these GNN methods have very limited information about any object immersed in the simulation domain and its surrounding environment. Also, the cell characteristics of the mesh such as cell volume, face surface area, and face centroid are not included in the message-passing operations in the GNN methods. To address these weaknesses, this work proposes two novel geometric representations: Shortest Vector (SV) and Directional Integrated Distance (DID). Extracted from the mesh, the SV and DID provide global geometry perspective to each input node, thus removing the need to collect this information through message-passing. This work also introduces the use of Finite Volume Features (FVF) in the graph convolutions as node and edge attributes, enabling its message-passing operations to adjust to different nodes. Finally, this work is the first to demonstrate how residual training, with the availability of low-resolution data, can be adopted to improve the flow field prediction accuracy. Experimental results on two datasets with five different state-of-the-art GNN methods for CFD indicate that SV, DID, FVF and residual training can effectively reduce the predictive error of current GNN-based methods by as much as 41%.

The integration of experimental data into mathematical and computational models is crucial for enhancing their predictive power in real-world scenarios. However, the performance of data assimilation algorithms can be significantly degraded when measurements are corrupted by biased noise, altering the signal magnitude, or when the system dynamics lack smoothness, such as in the presence of fast oscillations or discontinuities. This paper focuses on variational state estimation using the so-called Parameterized Background Data Weak method, which relies on a parameterized background by a set of constraints, enabling state estimation by solving a minimization problem on a reduced-order background model, subject to constraints imposed by the input measurements. To address biased noise in observations, a modified formulation is proposed, incorporating a correction mechanism to handle rapid oscillations by treating them as slow-decaying modes based on a two-scale splitting of the classical reconstruction algorithm. The effectiveness of the proposed algorithms is demonstrated through various examples, including discontinuous signals and simulated Doppler ultrasound data.

Deploying large language models (LLMs) is challenging because they are memory inefficient and compute-intensive for practical applications. In reaction, researchers train smaller task-specific models by either finetuning with human labels or distilling using LLM-generated labels. However, finetuning and distillation require large amounts of training data to achieve comparable performance to LLMs. We introduce Distilling step-by-step, a new mechanism that (a) trains smaller models that outperform LLMs, and (b) achieves so by leveraging less training data needed by finetuning or distillation. Our method extracts LLM rationales as additional supervision for small models within a multi-task training framework. We present three findings across 4 NLP benchmarks: First, compared to both finetuning and distillation, our mechanism achieves better performance with much fewer labeled/unlabeled training examples. Second, compared to LLMs, we achieve better performance using substantially smaller model sizes. Third, we reduce both the model size and the amount of data required to outperform LLMs; our 770M T5 model outperforms the 540B PaLM model using only 80% of available data on a benchmark task.

Causality can be described in terms of a structural causal model (SCM) that carries information on the variables of interest and their mechanistic relations. For most processes of interest the underlying SCM will only be partially observable, thus causal inference tries to leverage any exposed information. Graph neural networks (GNN) as universal approximators on structured input pose a viable candidate for causal learning, suggesting a tighter integration with SCM. To this effect we present a theoretical analysis from first principles that establishes a novel connection between GNN and SCM while providing an extended view on general neural-causal models. We then establish a new model class for GNN-based causal inference that is necessary and sufficient for causal effect identification. Our empirical illustration on simulations and standard benchmarks validate our theoretical proofs.

Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use as a layer in neural networks trained by backpropagation. To address this issue, we propose to smooth the max operator in the dynamic programming recursion, using a strongly convex regularizer. This allows to relax both the optimal value and solution of the original combinatorial problem, and turns a broad class of DP algorithms into differentiable operators. Theoretically, we provide a new probabilistic perspective on backpropagating through these DP operators, and relate them to inference in graphical models. We derive two particular instantiations of our framework, a smoothed Viterbi algorithm for sequence prediction and a smoothed DTW algorithm for time-series alignment. We showcase these instantiations on two structured prediction tasks and on structured and sparse attention for neural machine translation.