Related papers: Margin-calibrated Classifier Guidance for Property…

Single-cell representation learning (SCRL) from gene expression data offers a way to uncover the complex regulatory logic underlying cellular function. Inspired by large language models in natural language modeling, several single-cell…

The scalable adaptive cubic regularization method ($\mathrm{ARC_{q}K}$: Dussault et al. in Math. Program. Ser. A 207(1-2): 191-225, 2024) has been recently proposed for unconstrained optimization. It has excellent convergence properties,…

Motivated by the philosophy and phenomenal success of compressed sensing, the problem of reconstructing a matrix from a sampling of its entries has attracted much attention recently. Such a problem can be viewed as an information-theoretic…

Online class-incremental continual learning (CL) studies the problem of learning new classes continually from an online non-stationary data stream, intending to adapt to new data while mitigating catastrophic forgetting. While memory replay…

We present variants of the Conjugate Gradient (CG), Conjugate Residual (CR), and Generalized Minimal Residual (GMRES) methods which are both pipelined and flexible. These allow computation of inner products and norms to be overlapped with…

Generative recommendation treats next-item prediction as autoregressive item-identifier generation. Specifically, items are encoded as semantic identifiers (SIDs), which are short coarse-to-fine token sequences whose early tokens capture…

In many real applications of statistical learning, a decision made from misclassification can be too costly to afford; in this case, a reject option, which defers the decision until further investigation is conducted, is often preferred. In…

Manufacturing advanced materials and products with a specific property or combination of properties is often warranted. To achieve that it is crucial to find out the optimum recipe or processing conditions that can generate the ideal…

Consider a general machine learning setting where the output is a set of labels or sequences. This output set is unordered and its size varies with the input. Whereas multi-label classification methods seem a natural first resort, they are…

We present SynRXN, a unified benchmarking framework and open-data resource for computer-aided synthesis planning (CASP). SynRXN decomposes end-to-end synthesis planning into five task families, covering reaction rebalancing, atom-to-atom…

Classification is a fundamental task in supervised learning, while achieving valid misclassification rate control remains challenging due to possibly the limited predictive capability of the classifiers or the intrinsic complexity of the…

We introduce MarginMatch, a new SSL approach combining consistency regularization and pseudo-labeling, with its main novelty arising from the use of unlabeled data training dynamics to measure pseudo-label quality. Instead of using only the…

In this paper, we develop a low-rank method with high-order temporal accuracy using spectral deferred correction (SDC) to compute linear matrix differential equations. In [1], a low rank numerical method is proposed to correct the modeling…

On-policy self-distillation (self-OPD) densifies reinforcement learning with verifiable rewards (RLVR) by letting a policy teach itself under privileged context. We find that when this guidance spans the full response, all-token KL spends…

Recently, template-based (TB) and template-free (TF) molecule graph learning methods have shown promising results to retrosynthesis. TB methods are more accurate using pre-encoded reaction templates, and TF methods are more scalable by…

Motivation: Retrosynthesis planning poses a formidable challenge in the organic chemical industry. Single-step retrosynthesis prediction, a crucial step in the planning process, has witnessed a surge in interest in recent years due to…

Covariance regression offers an effective way to model the large covariance matrix with the auxiliary similarity matrices. In this work, we propose a sparse covariance regression (SCR) approach to handle the potentially high-dimensional…

Projected Gradient Descent denotes a class of iterative methods for solving optimization programs. Its applicability to convex optimization programs has gained significant popularity for its intuitive implementation that involves only…

Class imbalance remains a fundamental challenge in machine learning, with traditional solutions often creating as many problems as they solve. We demonstrate that group-aware threshold calibration--setting different decision thresholds for…

In order to leverage and profit from unlabelled data, semi-supervised frameworks for semantic segmentation based on consistency training have been proven to be powerful tools to significantly improve the performance of purely supervised…