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 Deep Learning


Overleaf Example

Neural Information Processing Systems

A foundation model for medical time series, pretrained on ethically approved clinical datasets, can substantially reduce annotation burdens, minimize the need for task-specific tuning, and promote reliable transferability across healthcare institutions, data modalities, and clinical tasks, especially in data-scarce or privacysensitive environments. However, existing generalist time series foundation models struggle to handle medical time series data due to their inherent challenges, including irregular intervals, heterogeneous sampling rates, and frequent missing values. To address these challenges, we introduce MIRA, a unified foundation model specifically designed for medical time series forecasting. MIRA incorporates a Continuous-Time Rotary Positional Encoding that enables fine-grained modeling of variable time intervals, a frequency-specific mixture-of-experts layer that routes computation across latent frequency regimes to further promote temporal specialization, and a Continuous Dynamics Extrapolation Block based on Neural ODE that models the continuous trajectory of latent states, enabling accurate forecasting at arbitrary target timestamps. Pretrained on a large-scale and diverse medical corpus comprising over 454 billion time points collect from publicly available datasets, MIRA achieves reductions in forecasting errors by an average of 8% and 6% in out-of-distribution and in-distribution scenarios, respectively, when compared to other zero-shot and fine-tuned baselines. We also introduce a comprehensive benchmark spanning multiple downstream clinical tasks, establishing a foundation for future research in medical time series modeling. Our code is available at Microsoft/MIRA.


An Industrial Grade for Vehicle Aerodynamic Optimization

Neural Information Processing Systems

Vehicle aerodynamics optimization has become critical for automotive electrification, where drag reduction directly determines electric vehicle range and energy efficiency. Traditional approaches face an intractable trade-off: computationally expensive Computational Fluid Dynamics (CFD) simulations requiring weeks per design iteration, or simplified models that sacrifice production-grade accuracy. While machine learning offers transformative potential, existing datasets exhibit fundamental limitations--inadequate mesh resolution, missing vehicle components, and validation errors exceeding 5%--preventing deployment in industrial workflows. We present DrivAerStar, comprising 12,000 industrial-grade automotive CFD simulations generated using STAR-CCM+ software. The dataset systematically explores three vehicle configurations through 20 Computer Aided Design (CAD) parameters via Free Form Deformation (FFD) algorithms, including complete engine compartments and cooling systems with realistic internal airflow. DrivAerStar achieves wind tunnel validation accuracy below 1.04%-- a five-fold improvement over existing datasets--through refined mesh strategies with strict wall y` control. Benchmarks demonstrate that models trained on this data achieve production-ready accuracy while reducing computational costs from weeks to minutes. This represents the first dataset bridging academic machine learning research and industrial CFD practice, establishing a new standard for data-driven aerodynamic optimization in automotive development. Beyond automotive applications, DrivAerStardemonstrates a paradigm for integrating highfidelity physics simulations with Artificial Intelligence (AI) across engineering disciplines where computational constraints currently limit innovation.


BNMusic: Blending Environmental Noises into Personalized Music

Neural Information Processing Systems

While being disturbed by environmental noises, the acoustic masking technique is a conventional way to reduce the annoyance in audio engineering that seeks to cover up the noises with other dominant yet less intrusive sounds. However, misalignment between the dominant sound and the noise--such as mismatched downbeats--often requires an excessive volume increase to achieve effective masking. Motivated by recent advances in cross-modal generation, in this work, we introduce an alternative method to acoustic masking, aiming to reduce the noticeability of environmental noises by blending them into personalized music generated based on user-provided text prompts. Following the paradigm of music generation using mel-spectrogram representations, we propose a Blending Noises into Personalized Music (BNMusic) framework with two key stages.


AgentTTS: Large Language Model Agent for Test-time Compute-optimal Scaling Strategy in Complex Tasks

Neural Information Processing Systems

Test-time scaling (TTS) enhances the performance of large language models (LLMs) by allocating additional compute resources during inference. However, existing research primarily investigates TTS in single-stage tasks; while many real-world problems are multi-stage complex tasks, composed of a sequence of heterogeneous subtasks with each subtask requires LLM of specific capability. Therefore, we study a novel problem: the test-time compute-optimal scaling in multi-stage complex tasks, aiming to select suitable models and allocate budgets per subtask to maximize overall performance. TTS in multi-stage tasks introduces two fundamental challenges: (i) The combinatorial search space of model and budget allocations, combined with the high cost of inference, makes brute-force search impractical.


Beyond Oracle: Verifier-Supervision for Instruction Hierarchy in Reasoning and Instruction-Tuned LLMs

Neural Information Processing Systems

Large language models (LLMs) are often prompted with multi-level directives, such as system instructions and user queries, that imply a hierarchy of authority. Yet models frequently fail to enforce this structure, especially in multi-step reasoning where errors propagate across intermediate steps. Existing methods rely on oracle completions but lack verifiable reward signals or intermediate traces, limiting their applicability. We introduce a unified supervision framework that embeds programmatically verifiable checkers into synthesized instruction-conflict instances. Each instance pairs a compliance directive with a conflicting one, along with an executable verifier that deterministically checks output adherence. This enables alignment without oracle labels or reasoning traces, supporting both instruction-tuned and reasoning models. The framework is instantiated via a synthesis pipeline that includes unittest-based validation, LLM-assisted repair, and a probabilistic analysis of cleaning reliability. Fine-tuning on the resulting data improves instruction hierarchy adherence and boosts safety robustness, generalizing to adversarial safety benchmarks without task-specific supervision. This highlights verifiable supervision as a scalable foundation for robust alignment.


Limitations of Normalization in Attention Mechanism

Neural Information Processing Systems

This paper investigates the limitations of the normalization in attention mechanisms. We begin with a theoretical framework that enables the identification of the model's selective ability and the geometric separation involved in token selection. Our analysis includes explicit bounds on distances and separation criteria for token vectors under softmax scaling. Through experiments with pre-trained GPT-2 model, we empirically validate our theoretical results and analyze key behaviors of the attention mechanism. Notably, we demonstrate that as the number of selected tokens increases, the model's ability to distinguish informative tokens declines, often converging toward a uniform selection pattern. We also show that gradient sensitivity under softmax normalization presents challenges during training, especially at low temperature settings. These findings advance current understanding of softmax-based attention mechanism and motivate the need for more robust normalization and selection strategies in future attention architectures.


Permutation Equivariant Neural Controlled Differential Equations for Dynamic Graph Representation Learning

Neural Information Processing Systems

Recently, Graph Neural Controlled Differential Equations (Graph Neural CDEs) successfully adapted Neural CDEs from paths on Euclidean domains to paths on graph domains. Building on this foundation, we introduce Permutation Equivariant Neural Graph CDEs, which project Graph Neural CDEs onto permutation equivariant function spaces. This significantly reduces the model's parameter count without compromising representational power, resulting in more efficient training and improved generalisation. We empirically demonstrate the advantages of our approach through experiments on simulated dynamical systems and real-world tasks, showing improved performance in both interpolation and extrapolation scenarios.



MIBP-Cert: Certified Training against Data Perturbations with Mixed-Integer Bilinear Programs

Neural Information Processing Systems

Data errors, corruptions, and poisoning attacks during training pose a major threat to the reliability of modern AI systems. While extensive effort has gone into empirical mitigations, the evolving nature of attacks and the complexity of data require a more principled, provable approach to robustly learn on such data--and to understand how perturbations influence the final model. Hence, we introduce MIBPCert, a novel certification method based on mixed-integer bilinear programming (MIBP) that computes sound, deterministic bounds to provide provable robustness even under complex threat models. By computing the set of parameters reachable through perturbed or manipulated data, we can predict all possible outcomes and guarantee robustness. To make solving this optimization problem tractable, we propose a novel relaxation scheme that bounds each training step without sacrificing soundness. We demonstrate the applicability of our approach to continuous and discrete data, as well as different threat models--including complex ones that were previously out of reach.


Fast in Slow System Unifying Fast Manipulation within Slow Reasoning

Neural Information Processing Systems

Generalized policy and execution efficiency constitute the two critical challenges in robotic manipulation. While recent foundation policies benefit from the commonsense reasoning capabilities of internet-scale pretrained vision-language models (VLMs), they often suffer from low execution frequency. To mitigate this dilemma, dual-system approaches have been proposed to leverage a VLM-based System 2 module for handling high-level decision-making, and a separate System 1 action module for ensuring real-time control. However, existing designs maintain both systems as separate models, limiting System 1 from fully leveraging the rich pretrained knowledge from the VLM-based System 2. In this work, we propose Fast-in-Slow (FiS), a unified dual-system vision-language-action (VLA) model that embeds the System 1 execution module within the VLM-based System 2 by partially sharing parameters. This innovative paradigm not only enables high-frequency execution in System 1, but also facilitates coordination between multimodal reasoning and execution components within a single foundation model of System 2. Given their fundamentally distinct roles within FiS-VLA, we design the two systems to incorporate heterogeneous modality inputs alongside asynchronous operating frequencies, enabling both fast and precise manipulation. To enable coordination between the two systems, a dual-aware co-training strategy is proposed that equips System 1 with action generation capabilities while preserving System 2's contextual understanding to provide stable latent conditions for System 1. For evaluation, FiS-VLA outperforms previous state-of-the-art methods by 8% in simulation and 11% in realworld tasks in terms of average success rate, while achieving a 117.7 Hz control frequency with action chunk set to eight.