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Domain experts can play a crucial role in guiding data scientists to optimize machine learning models while ensuring contextual relevance for downstream use. However, in current workflows, such collaboration is challenging due to differing expertise, abstract documentation practices, and lack of access and visibility into low-level implementation artifacts. To address these challenges and enable domain expert participation, we introduce CellSync, a collaboration framework comprising (1) a Jupyter Notebook extension that continuously tracks changes to dataframes and model metrics and (2) a Large Language Model powered visualization dashboard that makes those changes interpretable to domain experts. Through CellSync's cell-level dataset visualization with code summaries, domain experts can interactively examine how individual data and modeling operations impact different data segments. The chat features enable data-centric conversations and targeted feedback to data scientists. Our preliminary evaluation shows that CellSync provides transparency and promotes critical discussions about the intents and implications of data operations.

Unsupervised learning has become a staple in classical machine learning, successfully identifying clustering patterns in data across a broad range of domain applications. Surprisingly, despite its accuracy and elegant simplicity, unsupervised learning has not been sufficiently exploited in the realm of phylogenetic tree inference. The main reason for the delay in adoption of unsupervised learning in phylogenetics is the lack of a meaningful, yet simple, way of embedding phylogenetic trees into a vector space. Here, we propose the simple yet powerful split-weight embedding which allows us to fit standard clustering algorithms to the space of phylogenetic trees. We show that our split-weight embedded clustering is able to recover meaningful evolutionary relationships in simulated and real (Adansonia baobabs) data.

Linear hashes are known to possess error-correcting capabilities. However, in most applications, non-linear hashes with pseudorandom outputs are utilized instead. It has also been established that classical non-systematic random codes, both linear and non-linear, are capacity achieving in the asymptotic regime. Thus, it is reasonable to expect that non-linear hashes might also exhibit good error-correcting capabilities. In this paper, we show this to be the case. Our proof is based on techniques from multiple access channels. As a consequence, we show that Systematic Random Non-Linear Codes (S-RNLC) are capacity achieving in the asymptotic regime. We validate our results by comparing the performance of the Secure Hash Algorithm (SHA) with that of Systematic Random Linear Codes (SRLC) and S-RNLC, demonstrating that SHA performs equally.

When solving systems of banded Toeplitz equations or calculating their inverses, it is necessary to determine the invertibility of the matrices beforehand. In this paper, we equate the invertibility of an $n$-order banded Toeplitz matrix with bandwidth $2k+1$ to that of a small $k*k$ matrix. By utilizing a specially designed algorithm, we compute the invertibility sequence of a class of banded Toeplitz matrices with a time complexity of $5k^2n/2+kn$ and a space complexity of $3k^2$ where $n$ is the size of the largest matrix. This enables efficient preprocessing when solving equation systems and inverses of banded Toeplitz matrices.

Learning compositional representation is a key aspect of object-centric learning as it enables flexible systematic generalization and supports complex visual reasoning. However, most of the existing approaches rely on auto-encoding objective, while the compositionality is implicitly imposed by the architectural or algorithmic bias in the encoder. This misalignment between auto-encoding objective and learning compositionality often results in failure of capturing meaningful object representations. In this study, we propose a novel objective that explicitly encourages compositionality of the representations. Built upon the existing object-centric learning framework (e.g., slot attention), our method incorporates additional constraints that an arbitrary mixture of object representations from two images should be valid by maximizing the likelihood of the composite data. We demonstrate that incorporating our objective to the existing framework consistently improves the objective-centric learning and enhances the robustness to the architectural choices.

Developing theoretical guarantees on the sample complexity of offline RL methods is an important step towards making data-hungry RL algorithms practically viable. Currently, most results hinge on unrealistic assumptions about the data distribution -- namely that it comprises a set of i.i.d. trajectories collected by a single logging policy. We consider a more general setting where the dataset may have been gathered adaptively. We develop theory for the TMIS Offline Policy Evaluation (OPE) estimator in this generalized setting for tabular MDPs, deriving high-probability, instance-dependent bounds on its estimation error. We also recover minimax-optimal offline learning in the adaptive setting. Finally, we conduct simulations to empirically analyze the behavior of these estimators under adaptive and non-adaptive regimes.

We propose a modal logic in which counting modalities appear in linear inequalities. We show that each formula can be transformed into an equivalent graph neural network (GNN). We also show that a broad class of GNNs can be transformed efficiently into a formula, thus significantly improving upon the literature about the logical expressiveness of GNNs. We also show that the satisfiability problem is PSPACE-complete. These results bring together the promise of using standard logical methods for reasoning about GNNs and their properties, particularly in applications such as GNN querying, equivalence checking, etc. We prove that such natural problems can be solved in polynomial space.

Spectral precision matrix, the inverse of a spectral density matrix, is an object of central interest in frequency-domain analysis of multivariate time series. Estimation of spectral precision matrix is a key step in calculating partial coherency and graphical model selection of stationary time series. When the dimension of a multivariate time series is moderate to large, traditional estimators of spectral density matrices such as averaged periodograms tend to be severely ill-conditioned, and one needs to resort to suitable regularization strategies involving optimization over complex variables. In this work, we propose complex graphical Lasso (CGLASSO), an $\ell_1$-penalized estimator of spectral precision matrix based on local Whittle likelihood maximization. We develop fast $\textit{pathwise coordinate descent}$ algorithms for implementing CGLASSO on large dimensional time series data sets. At its core, our algorithmic development relies on a ring isomorphism between complex and real matrices that helps map a number of optimization problems over complex variables to similar optimization problems over real variables. This finding may be of independent interest and more broadly applicable for high-dimensional statistical analysis with complex-valued data. We also present a complete non-asymptotic theory of our proposed estimator which shows that consistent estimation is possible in high-dimensional regime as long as the underlying spectral precision matrix is suitably sparse. We compare the performance of CGLASSO with competing alternatives on simulated data sets, and use it to construct partial coherence network among brain regions from a real fMRI data set.

We introduce a class of neural controlled differential equation inspired by quantum mechanics. Neural quantum controlled differential equations (NQDEs) model the dynamics by analogue of the Schr\"{o}dinger equation. Specifically, the hidden state represents the wave function, and its collapse leads to an interpretation of the classification probability. We implement and compare the results of four variants of NQDEs on a toy spiral classification problem.

In statistical mechanics, computing the partition function is generally difficult. An approximation method using a variational autoregressive network (VAN) has been proposed recently. This approach offers the advantage of directly calculating the generation probabilities while obtaining a significantly large number of samples. The present study introduces a novel approximation method that employs samples derived from quantum annealing machines in conjunction with VAN, which are empirically assumed to adhere to the Gibbs-Boltzmann distribution. When applied to the finite-size Sherrington-Kirkpatrick model, the proposed method demonstrates enhanced accuracy compared to the traditional VAN approach and other approximate methods, such as the widely utilized naive mean field.