Deep Learning
Energy Loss Functions for Physical Systems
Kaba, Sékou-Oumar, Sareen, Kusha, Levy, Daniel, Ravanbakhsh, Siamak
Effectively leveraging prior knowledge of a system's physics is crucial for applications of machine learning to scientific domains. Previous approaches mostly focused on incorporating physical insights at the architectural level. In this paper, we propose a framework to leverage physical information directly into the loss function for prediction and generative modeling tasks on systems like molecules and spins. We derive energy loss functions assuming that each data sample is in thermal equilibrium with respect to an approximate energy landscape. By using the reverse KL divergence with a Boltzmann distribution around the data, we obtain the loss as an energy difference between the data and the model predictions. This perspective also recasts traditional objectives like MSE as energy-based, but with a physically meaningless energy. In contrast, our formulation yields physically grounded loss functions with gradients that better align with valid configurations, while being architecture-agnostic and computationally efficient. The energy loss functions also inherently respect physical symmetries. We demonstrate our approach on molecular generation and spin ground-state prediction and report significant improvements over baselines.
Watermarking Discrete Diffusion Language Models
Bagchi, Avi, Bhimaraju, Akhil, Choraria, Moulik, Alabi, Daniel, Varshney, Lav R.
Watermarking has emerged as a promising technique to track AI-generated content and differentiate it from authentic human creations. While prior work extensively studies watermarking for autoregressive large language models (LLMs) and image diffusion models, none address discrete diffusion language models, which are becoming popular due to their high inference throughput. In this paper, we introduce the first watermarking method for discrete diffusion models by applying the distribution-preserving Gumbel-max trick at every diffusion step and seeding the randomness with the sequence index to enable reliable detection. We experimentally demonstrate that our scheme is reliably detectable on state-of-the-art diffusion language models and analytically prove that it is distortion-free with an exponentially decaying probability of false detection in the token sequence length.
Human-AI Co-Embodied Intelligence for Scientific Experimentation and Manufacturing
Lin, Xinyi, Zhang, Yuyang, Gan, Yuanhang, Chen, Juntao, Shen, Hao, He, Yichun, Li, Lijun, Yuan, Ze, Wang, Shuang, Wang, Chaohao, Zhang, Rui, Li, Na, Liu, Jia
Scientific experiment and manufacture rely on complex, multi-step procedures that demand continuous human expertise for precise execution and decision-making. Despite advances in machine learning and automation, conventional models remain confined to virtual domains, while real-world experiment and manufacture still rely on human supervision and expertise. This gap between machine intelligence and physical execution limits reproducibility, scalability, and accessibility across scientific and manufacture workflows. Here, we introduce human-AI co-embodied intelligence, a new form of physical AI that unites human users, agentic AI, and wearable hardware into an integrated system for real-world experiment and intelligent manufacture. In this paradigm, humans provide precise execution and control, while agentic AI contributes memory, contextual reasoning, adaptive planning, and real-time feedback. The wearable interface continuously captures the experimental and manufacture processes, facilitates seamless communication between humans and AI for corrective guidance and interpretable collaboration. As a demonstration, we present Agentic-Physical Experimentation (APEX) system, coupling agentic reasoning with physical execution through mixed-reality. APEX observes and interprets human actions, aligns them with standard operating procedures, provides 3D visual guidance, and analyzes every step. Implemented in a cleanroom for flexible electronics fabrication, APEX system achieves context-aware reasoning with accuracy exceeding general multimodal large language models, corrects errors in real time, and transfers expertise to beginners. These results establish a new class of agentic-physical-human intelligence that extends agentic reasoning beyond computation into the physical domain, transforming scientific research and manufacturing into autonomous, traceable, interpretable, and scalable processes.
Vortex: Hosting ML Inference and Knowledge Retrieval Services With Tight Latency and Throughput Requirements
Yang, Yuting, Yuan, Tiancheng, Hashim, Jamal, Garrett, Thiago, Qian, Jeffrey, Zhang, Ann, Wang, Yifan, Song, Weijia, Birman, Ken
There is growing interest in deploying ML inference and knowledge retrieval as services that could support both interactive queries by end users and more demanding request flows that arise from AIs integrated into a end-user applications and deployed as agents. Our central premise is that these latter cases will bring service level latency objectives (SLOs). Existing ML serving platforms use batching to optimize for high throughput, exposing them to unpredictable tail latencies. Vortex enables an SLO-first approach. For identical tasks, Vortex's pipelines achieve significantly lower and more stable latencies than TorchServe and Ray Serve over a wide range of workloads, often enabling a given SLO target at more than twice the request rate. When RDMA is available, the Vortex advantage is even more significant.
A Dual-Use Framework for Clinical Gait Analysis: Attention-Based Sensor Optimization and Automated Dataset Auditing
Objective gait analysis using wearable sensors and AI is critical for managing neurological and orthopedic conditions. However, models are vulnerable to hidden dataset biases, and task-specific sensor optimization remains a challenge. We propose a multi-stream attention-based deep learning framework that functions as both a sensor optimizer and an automated data auditor. Applied to the Voisard et al. (2025) multi-cohort gait dataset on four clinical tasks (PD, OA, CVA screening; PD vs CVA differential), the model's attention mechanism quantitatively discovered a severe dataset confound. For OA and CVA screening, tasks where bilateral assessment is clinically essential, the model assigned more than 70 percent attention to the Right Foot while statistically ignoring the Left Foot (less than 0.1 percent attention, 95 percent CI [0.0-0.1]). This was not a clinical finding but a direct reflection of a severe laterality bias (for example, 15 of 15 right-sided OA) in the public dataset. The primary contribution of this work is methodological, demonstrating that an interpretable framework can automatically audit dataset integrity. As a secondary finding, the model proposes novel, data-driven sensor synergies (for example, Head plus Foot for PD screening) as hypotheses for future optimized protocols.
Text-VQA Aug: Pipelined Harnessing of Large Multimodal Models for Automated Synthesis
Joshi, Soham, Mishra, Shwet Kamal, Gopalakrishnan, Viswanath
Creation of large-scale databases for Visual Question Answering tasks pertaining to the text data in a scene (text-VQA) involves skilful human annotation, which is tedious and challenging. With the advent of foundation models that handle vision and language modalities, and with the maturity of OCR systems, it is the need of the hour to establish an end-to-end pipeline that can synthesize Question-Answer (QA) pairs based on scene-text from a given image. We propose a pipeline for automated synthesis for text-VQA dataset that can produce faithful QA pairs, and which scales up with the availability of scene text data. Our proposed method harnesses the capabilities of multiple models and algorithms involving OCR detection and recognition (text spotting), region of interest (ROI) detection, caption generation, and question generation. These components are streamlined into a cohesive pipeline to automate the synthesis and validation of QA pairs. To the best of our knowledge, this is the first pipeline proposed to automatically synthesize and validate a large-scale text-VQA dataset comprising around 72K QA pairs based on around 44K images.
Quantum-Enhanced Generative Models for Rare Event Prediction
Haider, M. Z., Ghouri, M. U., Noreen, Tayyaba, Salman, M.
Rare events such as financial crashes, climate extremes, and biological anomalies are notoriously difficult to model due to their scarcity and heavy-tailed distributions. Classical deep generative models often struggle to capture these rare occurrences, either collapsing low-probability modes or producing poorly calibrated uncertainty estimates. In this work, we propose the Quantum-Enhanced Generative Model (QEGM), a hybrid classical-quantum framework that integrates deep latent-variable models with variational quantum circuits. The framework introduces two key innovations: (1) a hybrid loss function that jointly optimizes reconstruction fidelity and tail-aware likelihood, and (2) quantum randomness-driven noise injection to enhance sample diversity and mitigate mode collapse. Training proceeds via a hybrid loop where classical parameters are updated through backpropagation while quantum parameters are optimized using parameter-shift gradients. We evaluate QEGM on synthetic Gaussian mixtures and real-world datasets spanning finance, climate, and protein structure. Results demonstrate that QEGM reduces tail KL divergence by up to 50 percent compared to state-of-the-art baselines (GAN, VAE, Diffusion), while improving rare-event recall and coverage calibration. These findings highlight the potential of QEGM as a principled approach for rare-event prediction, offering robustness beyond what is achievable with purely classical methods.
Shared Parameter Subspaces and Cross-Task Linearity in Emergently Misaligned Behavior
Arturi, Daniel Aarao Reis, Zhang, Eric, Ansah, Andrew, Zhu, Kevin, Panda, Ashwinee, Balwani, Aishwarya
Recent work has discovered that large language models can develop broadly misaligned behaviors after being fine-tuned on narrowly harmful datasets, a phenomenon known as emergent misalignment (EM). However, the fundamental mechanisms enabling such harmful generalization across disparate domains remain poorly understood. In this work, we adopt a geometric perspective to study EM and demonstrate that it exhibits a fundamental cross-task linear structure in how harmful behavior is encoded across different datasets. Specifically, we find a strong convergence in EM parameters across tasks, with the fine-tuned weight updates showing relatively high cosine similarities, as well as shared lower-dimensional subspaces as measured by their principal angles and projection overlaps. Furthermore, we also show functional equivalence via linear mode connectivity, wherein interpolated models across narrow misalignment tasks maintain coherent, broadly misaligned behavior. Our results indicate that EM arises from different narrow tasks discovering the same set of shared parameter directions, suggesting that harmful behaviors may be organized into specific, predictable regions of the weight landscape. By revealing this fundamental connection between parametric geometry and behavioral outcomes, we hope our work catalyzes further research on parameter space interpretability and weight-based interventions.
Bulk-boundary decomposition of neural networks
Lee, Donghee, Lee, Hye-Sung, Yi, Jaeok
Department of Physics, Korea Advanced Institute of Science and Technology, Daejeon 34141, Korea (Dated: November 2025) We present the bulk-boundary decomposition as a new framework for understanding the training dynamics of deep neural networks. Starting from the stochastic gradient descent formulation, we show that the Lagrangian can be reorganized into a data-independent bulk term and a data-dependent boundary term. The bulk captures the intrinsic dynamics set by network architecture and activation functions, while the boundary reflects stochastic interactions from training samples at the input and output layers. As a natural extension, we develop a field-theoretic formulation of neural dynamics based on this decomposition. Introduction-- Deep neural networks have achieved remarkable empirical success across diverse domains, yet the fundamental principles governing their learning dynamics remain unclear [1-3].
TRACE: Textual Reasoning for Affordance Coordinate Extraction
Park, Sangyun, Kim, Jin, Cui, Yuchen, Brown, Matthew S.
Vision-Language Models (VLMs) struggle to translate high-level instructions into the precise spatial affordances required for robotic manipulation. While visual Chain-of-Thought (CoT) methods exist, they are often computationally intensive. In this work, we introduce TRACE (Textual Reasoning for Affordance Coordinate Extraction), a novel methodology that integrates a textual Chain of Reasoning (CoR) into the affordance prediction process. We use this methodology to create the TRACE dataset, a large-scale collection created via an autonomous pipeline that pairs instructions with explicit textual rationales. By fine-tuning a VLM on this data, our model learns to externalize its spatial reasoning before acting. Our experiments show that our TRACE-tuned model achieves state-of-the-art performance, reaching 48.1% accuracy on the primary Where2Place (W2P) benchmark (a 9.6% relative improvement) and 55.0% on the more challenging W2P(h) subset. Crucially, an ablation study demonstrates that performance scales directly with the amount of reasoning data used, confirming the CoR's effectiveness. Furthermore, analysis of the model's attention maps reveals an interpretable reasoning process where focus shifts dynamically across reasoning steps. This work shows that training VLMs to generate a textual CoR is an effective and robust strategy for enhancing the precision, reliability, and interpretability of VLM-based robot control. Our dataset and code are available at https://github.com/jink-ucla/TRACE