Most methods for learning with noisy labels require privileged knowledge such as noise transition matrices, clean subsets or pretrained feature extractors, resources typically unavailable when robustness is most needed. We propose Conformal Margin Risk Minimization (CMRM), a plug-and-play envelope framework that improves any classification loss under label noise by adding a single quantile-calibrated regularization term, with no privileged knowledge or training pipeline modification. CMRM measures the confidence margin between the observed label and competing labels, and thresholds it with a conformal quantile estimated per batch to focus training on high-margin samples while suppressing likely mislabeled ones. We derive a learning bound for CMRM under arbitrary label noise requiring only mild regularity of the margin distribution. Across five base methods and six benchmarks with synthetic and real-world noise, CMRM consistently improves accuracy (up to +3.39%), reduces conformal prediction set size (up to -20.44%) and does not hurt under 0% noise, showing that CMRM captures a method-agnostic uncertainty signal that existing mechanisms did not exploit.

Modern artificial intelligence systems make critical decisions yet often fail silently when uncertain -- even well-calibrated models provide no mechanism to identify \textit{which specific predictions} are unreliable. We develop a geometric framework addressing both calibration and instance-level uncertainty quantification for neural network probability outputs. Treating probability vectors as points on the $(c-1)$-dimensional probability simplex equipped with the Fisher--Rao metric, we construct: (i) Additive Log-Ratio (ALR) calibration maps that reduce exactly to Platt scaling for binary problems while extending naturally to multi-class settings, and (ii) geometric reliability scores that translate calibrated probabilities into actionable uncertainty measures, enabling principled deferral of ambiguous predictions to human review. Theoretical contributions include: consistency of the calibration estimator at rate $O_p(n^{-1/2})$ via M-estimation theory (Theorem~1), and tight concentration bounds for reliability scores with explicit sub-Gaussian parameters enabling sample size calculations for validation set design (Theorem~2). We conjecture Neyman--Pearson optimality of our neutral zone construction based on connections to Bhattacharyya coefficients. Empirical validation on Adeno-Associated Virus classification demonstrates that the two-stage framework captures 72.5\% of errors while deferring 34.5\% of samples, reducing automated decision error rates from 16.8\% to 6.9\%. Notably, calibration alone yields marginal accuracy gains; the operational benefit arises primarily from the reliability scoring mechanism, which applies to any well-calibrated probability output. This work bridges information geometry and statistical learning, offering formal guarantees for uncertainty-aware classification in applications requiring rigorous validation.

Heterogeneous chiplet-based systems improve scaling by disag-gregating CPUs/GPUs and emerging technologies (HBM/DRAM).However this on-package disaggregation introduces a latency inNetwork-on-Interposer(NoI). We observe that in modern large-modelinference, parameters and activations routinely move backand forth from HBM/DRAM, injecting large, bursty flows into theinterposer. These memory-driven transfers inflate tail latency andviolate Service Level Agreements (SLAs) across k-ary n-cube base-line NoI topologies. To address this gap we introduce an InterferenceScore (IS) that quantifies worst-case slowdown under contention.We then formulate NoI synthesis as a multi-objective optimization(MOO) problem. We develop PARL (Partition-Aware ReinforcementLearner), a topology generator that balances throughput, latency,and power. PARL-generated topologies reduce contention at the memory cut, meet SLAs, and cut worst-case slowdown to 1.2 times while maintaining competitive mean throughput relative to link-rich meshes. Overall, this reframes NoI design for heterogeneouschiplet accelerators with workload-aware objectives.

While multiple sensors are used for real-time monitoring in additive manufacturing, not all provide practical or reliable process insights. For example, high-speed X-ray imaging offers valuable spatial information about subsurface melt pool behavior but is costly and impractical for most industrial settings. In contrast, absorptivity data from low-cost photodiodes correlate with melt pool dynamics but is often too noisy for accurate prediction when used alone. In this paper, we propose a multimodal data fusion approach for predicting melt pool dynamics by combining high-fidelity X-ray data with low-fidelity absorptivity data in the Laser Powder Bed Fusion (LPBF) process. Our multimodal learning framework integrates convolutional neural networks (CNNs) for spatial feature extraction from X-ray data with recurrent neural networks (RNNs) for temporal feature extraction from absorptivity signals, using an early fusion strategy. The multimodal model is further used as a transfer learning model to fine-tune the RNN model that can predict melt pool dynamics only with absorptivity, with greater accuracy compared to the multimodal model. Results show that training with both modalities significantly improves prediction accuracy compared to using either modality alone. Furthermore, once trained, the model can infer melt pool characteristics using only absorptivity data, eliminating the need for expensive X-ray imaging. This multimodal fusion approach enables cost-effective, real-time monitoring and has broad applicability in additive manufacturing.

Processing-In-Memory (PIM) architectures offer a promising approach to accelerate Graph Neural Network (GNN) training and inference. However, various PIM devices such as ReRAM, FeFET, PCM, MRAM, and SRAM exist, with each device offering unique trade-offs in terms of power, latency, area, and non-idealities. A heterogeneous manycore architecture enabled by 3D integration can combine multiple PIM devices on a single platform, to enable energy-efficient and high-performance GNN training. In this work, we propose a 3D heterogeneous PIM-based accelerator for GNN training referred to as HePGA. We leverage the unique characteristics of GNN layers and associated computing kernels to optimize their mapping on to different PIM devices as well as planar tiers. Our experimental analysis shows that HePGA outperforms existing PIM-based architectures by up to 3.8x and 6.8x in energy-efficiency (TOPS/W) and compute efficiency (TOPS/mm2) respectively, without sacrificing the GNN prediction accuracy. Finally, we demonstrate the applicability of HePGA to accelerate inferencing of emerging transformer models.

New discoveries in c hemistry and materials science, with increasingly expanding volume of requisite knowledge and experimental workload, provide unique opportunities for machine learning (ML) to take critical roles in accelerat ing research efficiency . Here, we demonstrate (1) the use of large language models (LLMs) for automated literature reviews, and (2) the training of an ML model to predict chemical knowledge (thermodynamic parameters) . Our LLM - based literature review tool (LMExt) successfully extracted chemical information and beyond into a machine - readable structure, including stability constants for metal cation - ligand interactions, thermodynamic properties, and other broader data types ( medical research papers, and financial reports), effectively overcoming the challenges inherent in each domain. Using the autonomous acquisition of thermodynamic data, an ML model was trained using the CatBoost algorithm for accurately predict ing thermodynamic parameters (e.g., enthalpy of formation) of minerals. This work highlights the transformative potential of integrated ML approaches to reshape chemistry and materials science research . Keywords: Thermodynamics, Machine L earning, Large Language Model, D ata M ining, Database Introduction Chemi cal thermodynamics are fundamental for understanding chemical reactions, proposing novel methods to control these reactions, and pred icting chemical equilibria /reactions for new materials. Although scientific breakthroughs occur regularly, contributing to these advances becomes progressively more complex. T ypical research project necessitates a comprehensive literature review that should cover the current state of the field and identify knowledge gaps . Subsequently, rigorous experimentation and modeling are performed to fill such gaps or check hypothesis - driven predictions . Both these steps are essential research steps not unique in chemical research, which however, are inherently mentally - intensive and time - consuming .

Conformal prediction (CP) is a promising uncertainty quantification framework which works as a wrapper around a black-box classifier to construct prediction sets (i.e., subset of candidate classes) with provable guarantees. However, standard calibration methods for CP tend to produce large prediction sets which makes them less useful in practice. This paper considers the problem of integrating conformal principles into the training process of deep classifiers to directly minimize the size of prediction sets. We formulate conformal training as a bilevel optimization problem and propose the {\em Direct Prediction Set Minimization (DPSM)} algorithm to solve it. The key insight behind DPSM is to minimize a measure of the prediction set size (upper level) that is conditioned on the learned quantile of conformity scores (lower level). We analyze that DPSM has a learning bound of $O(1/\sqrt{n})$ (with $n$ training samples), while prior conformal training methods based on stochastic approximation for the quantile has a bound of $Ω(1/s)$ (with batch size $s$ and typically $s \ll \sqrt{n}$). Experiments on various benchmark datasets and deep models show that DPSM significantly outperforms the best prior conformal training baseline with $20.46\%\downarrow$ in the prediction set size and validates our theory.

This paper introduces a novel approach to budgeted online active learning from finite-horizon data streams with extremely limited labeling budgets. In agricultural applications, such streams might include daily weather data over a growing season, and labels require costly measurements of weather-dependent plant characteristics. Our method integrates two key sources of prior information: a collection of preexisting expert predictors and episodic behavioral knowledge of the experts based on unlabeled data streams. Unlike previous research on online active learning with experts, our work simultaneously considers query budgets, finite horizons, and episodic knowledge, enabling effective learning in applications with severely limited labeling capacity. We demonstrate the utility of our approach through experiments on various prediction problems derived from both a realistic agricultural crop simulator and real-world data from multiple grape cultivars. The results show that our method significantly outperforms baseline expert predictions, uniform query selection, and existing approaches that consider budgets and limited horizons but neglect episodic knowledge, even under highly constrained labeling budgets.

Adherence to prescribed treatments is crucial for individuals with chronic conditions to avoid costly or adverse health outcomes. For certain patient groups, intensive lifestyle interventions are vital for enhancing medication adherence. Accurate forecasting of treatment adherence can open pathways to developing an on-demand intervention tool, enabling timely and personalized support. With the increasing popularity of smartphones and wearables, it is now easier than ever to develop and deploy smart activity monitoring systems. However, effective forecasting systems for treatment adherence based on wearable sensors are still not widely available. We close this gap by proposing Adherence Forecasting and Intervention with Machine Intelligence (AIMI). AIMI is a knowledge-guided adherence forecasting system that leverages smartphone sensors and previous medication history to estimate the likelihood of forgetting to take a prescribed medication. A user study was conducted with 27 participants who took daily medications to manage their cardiovascular diseases. We designed and developed CNN and LSTM-based forecasting models with various combinations of input features and found that LSTM models can forecast medication adherence with an accuracy of 0.932 and an F-1 score of 0.936. Moreover, through a series of ablation studies involving convolutional and recurrent neural network architectures, we demonstrate that leveraging known knowledge about future and personalized training enhances the accuracy of medication adherence forecasting. Code available: https://github.com/ab9mamun/AIMI.

Offline design optimization problem arises in numerous science and engineering applications including material and chemical design, where expensive online experimentation necessitates the use of in silico surrogate functions to predict and maximize the target objective over candidate designs. Although these surrogates can be learned from offline data, their predictions are often inaccurate outside the offline data regime. This challenge raises a fundamental question about the impact of imperfect surrogate model on the performance gap between its optima and the true optima, and to what extent the performance loss can be mitigated. Although prior work developed methods to improve the robustness of surrogate models and their associated optimization processes, a provably quantifiable relationship between an imperfect surrogate and the corresponding performance gap, as well as whether prior methods directly address it, remain elusive. To shed light on this important question, we present a theoretical framework to understand offline black-box optimization, by explicitly bounding the optimization quality based on how well the surrogate matches the latent gradient field that underlines the offline data. Inspired by our theoretical analysis, we propose a principled black-box gradient matching algorithm to create effective surrogate models for offline optimization, improving over prior approaches on various real-world benchmarks.