We propose a novel system, MathMistake Checker, designed to automate step-by-step mistake finding in mathematical problems with lengthy answers through a two-stage process. The system aims to simplify grading, increase efficiency, and enhance learning experiences from a pedagogical perspective. It integrates advanced technologies, including computer vision and the chain-of-thought capabilities of the latest large language models (LLMs). Our system supports open-ended grading without reference answers and promotes personalized learning by providing targeted feedback. We demonstrate its effectiveness across various types of math problems, such as calculation and word problems.

Due to the ever growing amounts of data leveraged for machine learning and scientific computing, it is increasingly important to develop algorithms that sample only a small portion of the data at a time. In the case of linear least-squares, the randomized block Kaczmarz method (RBK) is an appealing example of such an algorithm, but its convergence is only understood under sampling distributions that require potentially prohibitively expensive preprocessing steps. To address this limitation, we analyze RBK when the data is sampled uniformly, showing that its iterates converge in a Monte Carlo sense to a $\textit{weighted}$ least-squares solution. Unfortunately, for general problems the condition number of the weight matrix and the variance of the iterates can become arbitrarily large. We resolve these issues by incorporating regularization into the RBK iterations. Numerical experiments, including examples arising from natural gradient optimization, suggest that the regularized algorithm, ReBlocK, outperforms minibatch stochastic gradient descent for realistic problems that exhibit fast singular value decay.

The rapid emergence of single-cell data has facilitated the study of many different biological conditions at the cellular level. Cluster analysis has been widely applied to identify cell types, capturing the essential patterns of the original data in a much more concise form. One challenge in the cluster analysis of cells is matching clusters extracted from datasets of different origins or conditions. Many existing algorithms cannot recognize new cell types present in only one of the two samples when establishing a correspondence between clusters obtained from two samples. Additionally, when there are more than two samples, it is advantageous to align clusters across all samples simultaneously rather than performing pairwise alignment. Our approach aims to construct a taxonomy for cell clusters across all samples to better annotate these clusters and effectively extract features for downstream analysis. A new system for constructing cell-type taxonomy has been developed by combining the technique of Optimal Transport with Relaxed Marginal Constraints (OT-RMC) and the simultaneous alignment of clusters across multiple samples. OT-RMC allows us to address challenges that arise when the proportions of clusters vary substantially between samples or when some clusters do not appear in all the samples. Experiments on more than twenty datasets demonstrate that the taxonomy constructed by this new system can yield highly accurate annotation of cell types. Additionally, sample-level features extracted based on the taxonomy result in accurate classification of samples.

With the ever-increasing demands on Question Answering (QA) systems for IT operations and maintenance, an efficient and supervised fine-tunable framework is necessary to ensure the data security, private deployment and continuous upgrading. Although Large Language Models (LLMs) have notably improved the open-domain QA's performance, how to efficiently handle enterprise-exclusive corpora and build domain-specific QA systems are still less-studied for industrial applications. In this paper, we propose a general and comprehensive framework based on Retrieval Augmented Generation (RAG) and facilitate the whole business process of establishing QA systems for IT operations and maintenance. In accordance with the prevailing RAG method, our proposed framework, named with RAG4ITOps, composes of two major stages: (1) Models Fine-tuning \& Data Vectorization, and (2) Online QA System Process. At the Stage 1, we leverage a contrastive learning method with two negative sampling strategies to fine-tune the embedding model, and design the instruction templates to fine-tune the LLM with a Retrieval Augmented Fine-Tuning method. At the Stage 2, an efficient process of QA system is built for serving. We collect enterprise-exclusive corpora from the domain of cloud computing, and the extensive experiments show that our method achieves superior results than counterparts on two kinds of QA tasks. Our experiment also provide a case for applying the RAG4ITOps to real-world enterprise-level applications.

In this paper, we address the classification of instances each characterized not by a singular point, but by a distribution on a vector space. We employ the Wasserstein metric to measure distances between distributions, which are then used by distance-based classification algorithms such as k-nearest neighbors, k-means, and pseudo-mixture modeling. Central to our investigation is dimension reduction within the Wasserstein metric space to enhance classification accuracy. We introduce a novel approach grounded in the principle of maximizing Fisher's ratio, defined as the quotient of between-class variation to within-class variation. The directions in which this ratio is maximized are termed discriminant coordinates or canonical variates axes. In practice, we define both between-class and within-class variations as the average squared distances between pairs of instances, with the pairs either belonging to the same class or to different classes. This ratio optimization is achieved through an iterative algorithm, which alternates between optimal transport and maximization steps within the vector space. We conduct empirical studies to assess the algorithm's convergence and, through experimental validation, demonstrate that our dimension reduction technique substantially enhances classification performance. Moreover, our method outperforms well-established algorithms that operate on vector representations derived from distributional data. It also exhibits robustness against variations in the distributional representations of data clouds.

For many chemical properties, it suffices to work within the Born-Oppenheimer approximation, in which the nuclei are viewed as classical point charges and only the electrons exhibit quantum-mechanical behavior. The study of chemistry through this lens is known as electronic structure theory. Within electronic structure theory, methods to model the many-body electron wavefunction include Hartree-Fock theory, configuration interaction methods, and coupled cluster theory. A typical ansatz for such methods is a sum of Slater determinants which represent antisymmetrized products of single-particle states. The benefit of such an ansatz is that the energy and other properties of the wavefunction can be evaluated analytically from pre-computed few-particle integrals. Another approach to the electronic structure problem is the variational Monte Carlo method (VMC) [1, 2]. In VMC, the properties of the wavefunction are calculated using Monte Carlo sampling rather than direct numerical integration, and the energy is variationally minimized through a stochastic optimization procedure. This increases the cost of the calculations, especially when high accuracy is required, but it enables the use of much more general ansatzes.

Explicit antisymmetrization of a neural network is a potential candidate for a universal function approximator for generic antisymmetric functions, which are ubiquitous in quantum physics. However, this procedure is a priori factorially costly to implement, making it impractical for large numbers of particles. The strategy also suffers from a sign problem. Namely, due to near-exact cancellation of positive and negative contributions, the magnitude of the antisymmetrized function may be significantly smaller than before anti-symmetrization. We show that the anti-symmetric projection of a two-layer neural network can be evaluated efficiently, opening the door to using a generic antisymmetric layer as a building block in anti-symmetric neural network Ansatzes. This approximation is effective when the sign problem is controlled, and we show that this property depends crucially the choice of activation function under standard Xavier/He initialization methods. As a consequence, using a smooth activation function requires re-scaling of the neural network weights compared to standard initializations.

We analyze stochastic gradient descent (SGD) type algorithms on a high-dimensional sphere which is parameterized by a neural network up to a normalization constant. We provide a new algorithm for the setting of supervised learning and show its convergence both theoretically and numerically. We also provide the first proof of convergence for the unsupervised setting, which corresponds to the widely used variational Monte Carlo (VMC) method in quantum physics.

A fundamental problem in quantum physics is to encode functions that are completely anti-symmetric under permutations of identical particles. The Barron space consists of high-dimensional functions that can be parameterized by infinite neural networks with one hidden layer. By explicitly encoding the anti-symmetric structure, we prove that the anti-symmetric functions which belong to the Barron space can be efficiently approximated with sums of determinants. This yields a factorial improvement in complexity compared to the standard representation in the Barron space and provides a theoretical explanation for the effectiveness of determinant-based architectures in ab-initio quantum chemistry.

Pricing based on individual customer characteristics is widely used to maximize sellers' revenues. This work studies offline personalized pricing under endogeneity using an instrumental variable approach. Standard instrumental variable methods in causal inference/econometrics either focus on a discrete treatment space or require the exclusion restriction of instruments from having a direct effect on the outcome, which limits their applicability in personalized pricing. In this paper, we propose a new policy learning method for Personalized pRicing using Invalid iNsTrumental variables (PRINT) for continuous treatment that allow direct effects on the outcome. Specifically, relying on the structural models of revenue and price, we establish the identifiability condition of an optimal pricing strategy under endogeneity with the help of invalid instrumental variables. Based on this new identification, which leads to solving conditional moment restrictions with generalized residual functions, we construct an adversarial min-max estimator and learn an optimal pricing strategy. Furthermore, we establish an asymptotic regret bound to find an optimal pricing strategy. Finally, we demonstrate the effectiveness of the proposed method via extensive simulation studies as well as a real data application from an US online auto loan company.