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PRIMRose: Insights into the Per-Residue Energy Metrics of Proteins with Double InDel Mutations using Deep Learning
Brown, Stella, Preisig, Nicolas, Davis, Autumn, Hutchinson, Brian, Jagodzinski, Filip
Understanding how protein mutations affect protein structure is essential for advancements in computational biology and bioinformatics. We introduce PRIMRose, a novel approach that predicts energy values for each residue given a mutated protein sequence. Unlike previous models that assess global energy shifts, our method analyzes the localized energetic impact of double amino acid insertions or deletions (InDels) at the individual residue level, enabling residue-specific insights into structural and functional disruption. We implement a Convolutional Neural Network architecture to predict the energy changes of each residue in a protein mutation. We train our model on datasets constructed from nine proteins, grouped into three categories: one set with exhaustive double InDel mutations, another with approximately 145k randomly sampled double InDel mutations, and a third with approximately 80k randomly sampled double InDel mutations. Our model achieves high predictive accuracy across a range of energy metrics as calculated by the Rosetta molecular modeling suite and reveals localized patterns that influence model performance, such as solvent accessibility and secondary structure context. This per-residue analysis offers new insights into the mutational tolerance of specific regions within proteins and provides higher interpretable and biologically meaningful predictions of InDels' effects.
Instance Dependent Testing of Samplers using Interval Conditioning
Bhattacharyya, Rishiraj, Chakraborty, Sourav, Pote, Yash, Sarkar, Uddalok, Sen, Sayantan
Sampling algorithms play a pivotal role in probabilistic AI. However, verifying if a sampler program indeed samples from the claimed distribution is a notoriously hard problem. Provably correct testers like Barbarik, Teq, Flash, CubeProbe for testing of different kinds of samplers were proposed only in the last few years. All these testers focus on the worst-case efficiency, and do not support verification of samplers over infinite domains, a case occurring frequently in Astronomy, Finance, Network Security, etc. In this work, we design the first tester of samplers with instance-dependent efficiency, allowing us to test samplers over natural numbers. Our tests are developed via a novel distance estimation algorithm between an unknown and a known probability distribution using an interval conditioning framework. The core technical contribution is a new connection with probability mass estimation of a continuous distribution. The practical gains are also substantial: our experiments establish up to 1000x speedup over state-of-the-art testers.
BitStopper: An Efficient Transformer Attention Accelerator via Stage-fusion and Early Termination
Wang, Huizheng, Wang, Hongbin, Wei, Shaojun, Hu, Yang, Yin, Shouyi
Abstract--Attention-based large language models (LLMs) have transformed modern AI applications, but the quadratic cost of self-attention imposes significant compute and memory overhead. Dynamic sparsity (DS) attention mitigates this, yet its hardware efficiency is limited by the added prediction stage and the heavy memory traffic it entails. T o address these limitations, this paper proposes BitStopper, a fine-grained algorithm-architecture co-design that operates without a sparsity predictor . First, a bit-serial enable stage fusion (BESF) mechanism is proposed to reuse and minimize the memory access by progressively terminating trivial tokens and merging the prediction stage into the execution stage. Second, a lightweight and adaptive token selection (LA TS) strategy is developed to work in concert with the bit-level sparsity speculation. Third, a bit-level asynchronous processing (BAP) strategy is employed to improve compute utilization during the on-demand bit-grained memory fetching. Finally, an elaborate architecture is designed to translate the theoretical complexity reduction into practical performance improvement. Extensive evaluations demonstrate that, compared to state-of-the-art (SOT A) Transformer accelerators, BitStopper achieves 2.03 and 1.89 speedups over Sanger and SOF A, respectively, while delivering 2.4 and 2.1 improvements in energy efficiency.
Vec-LUT: Vector Table Lookup for Parallel Ultra-Low-Bit LLM Inference on Edge Devices
Li, Xiangyu, Yin, Chengyu, Wang, Weijun, Wei, Jianyu, Cao, Ting, Liu, Yunxin
Large language models (LLMs) are increasingly deployed on edge devices. To meet strict resource constraints, real-world deployment has pushed LLM quantization from 8-bit to 4-bit, 2-bit, and now 1.58-bit. Combined with lookup table (LUT)-based inference, CPUs run these ultra-low-bit LLMs even faster than NPUs, opening new opportunities for ubiquitous on-device intelligence. However, this paper identifies that LUT-based inference underutilizes memory bandwidth during parallel inference, which is required for prefilling, test-time scaling, and other multi-token scenarios. The root cause is the scalar LUT paradigm, which performs repetitive and non-contiguous memory accesses for each token. To solve the issue, we propose vector LUT, a new lookup paradigm that constructs a unified LUT across parallel tokens, and performs a single $1 \rightarrow N$ lookup per index. To realize it efficiently, we further introduce (1) Vector LUT-Centric Tensor Layout, and (2) Cache-Aware Streamed Lookup techniques. Evaluations on 5 edge devices across 3 LLMs show that Vec-LUT outperforms state-of-the-art baselines by up to $4.2\times$. Our implementation is integrated into llama.cpp. The code is available at https://github.com/Cipherxzc/vlut.cpp.
Automated Deep Learning Estimation of Anthropometric Measurements for Preparticipation Cardiovascular Screening
Mareque, Lucas R., Armentano, Ricardo L., Cymberknop, Leandro J.
Preparticipation cardiovascular examination (PPCE) aims to prevent sudden cardiac death (SCD) by identifying athletes with structural or electrical cardiac abnormalities. Anthropometric measurements, such as waist circumference, limb lengths, and torso proportions to detect Marfan syndrome, can indicate elevated cardiovascular risk. Traditional manual methods are labor-intensive, operator-dependent, and challenging to scale. We present a fully automated deep-learning approach to estimate five key anthropometric measurements from 2D synthetic human body images. Using a dataset of 100,000 images derived from 3D body meshes, we trained and evaluated VGG19, ResNet50, and DenseNet121 with fully connected layers for regression. All models achieved sub-centimeter accuracy, with ResNet50 performing best, achieving a mean MAE of 0.668 cm across all measurements. Our results demonstrate that deep learning can deliver accurate anthropometric data at scale, offering a practical tool to complement athlete screening protocols. Future work will validate the models on real-world images to extend applicability.
HiveMind: Contribution-Guided Online Prompt Optimization of LLM Multi-Agent Systems
Xia, Yihan, Wang, Taotao, Zhang, Shengli, Weng, Zhangyuhua, Cao, Bin, Liew, Soung Chang
Recent advances in LLM-based multi-agent systems have demonstrated remarkable capabilities in complex decision-making scenarios such as financial trading and software engineering. However, evaluating each individual agent's effectiveness and online optimization of underperforming agents remain open challenges. To address these issues, we present HiveMind, a self-adaptive framework designed to optimize LLM multi-agent collaboration through contribution analysis. At its core, HiveMind introduces Contribution-Guided Online Prompt Optimization (CG-OPO), which autonomously refines agent prompts based on their quantified contributions. We first propose the Shapley value as a grounded metric to quantify each agent's contribution, thereby identifying underperforming agents in a principled manner for automated prompt refinement. To overcome the computational complexity of the classical Shapley value, we present DAG-Shapley, a novel and efficient attribution algorithm that leverages the inherent Directed Acyclic Graph structure of the agent workflow to axiomatically prune non-viable coalitions. By hierarchically reusing intermediate outputs of agents in the DAG, our method further reduces redundant computations, and achieving substantial cost savings without compromising the theoretical guarantees of Shapley values. Evaluated in a multi-agent stock-trading scenario, HiveMind achieves superior performance compared to static baselines. Notably, DAG-Shapley reduces LLM calls by over 80\% while maintaining attribution accuracy comparable to full Shapley values, establishing a new standard for efficient credit assignment and enabling scalable, real-world optimization of multi-agent collaboration.
Smart Spatial Planning in Egypt: An Algorithm-Driven Approach to Public Service Evaluation in Qena City
Shamroukh, Mohamed, Aziz, Mohamed Alkhuzamy
The availability and sophistication degree of such services are fair measures of progress for any city. In this context, Geographic information systems " GIS " offers solutions that support the decision - making processes regarding management, planning and distribution of services, ultimately improving the standard of living in cities (Aziz, 2007, p. 11). Investigating services planning standards is one of the most relevant issues concerning human progress regarding its proper definition and needs. Planning standards can be reconsidered by studying the variation in the distribution of geographical phenomena and the characteristi cs of geographic areas. More effort should be exerted in defining these standards parallel to the characteristics of each region. Such efforts will facilitate appropriate allocation s of services and accurate definitions of future developmental efforts. The problem of the study is that the planning standards are not suitable for the characteristics of the Egyptian cities, which include more population and intensive daily use of services. The solution to this problem is to create new planning standards that suit the rapidly changing nature of cities, and to generate these criteria current services and their intensity and the built - up areas are going to be used to reflect the characteristics of the city, taking this abroach is a new way to generate such criteria. This study attempts to derive planning standards for public services in the city of Qena that are compatible with the characteristics of the city, the geographical distribution of the population, the built - up area, and the services therein.
A new initialisation to Control Gradients in Sinusoidal Neural network
Combette, Andrea, Venaille, Antoine, Pustelnik, Nelly
Proper initialisation strategy is of primary importance to mitigate gradient explosion or vanishing when training neural networks. Yet, the impact of initialisation parameters still lacks a precise theoretical understanding for several well-established architectures. Here, we propose a new initialisation for networks with sinusoidal activation functions such as \texttt{SIREN}, focusing on gradients control, their scaling with network depth, their impact on training and on generalization. To achieve this, we identify a closed-form expression for the initialisation of the parameters, differing from the original \texttt{SIREN} scheme. This expression is derived from fixed points obtained through the convergence of pre-activation distribution and the variance of Jacobian sequences. Controlling both gradients and targeting vanishing pre-activation helps preventing the emergence of inappropriate frequencies during estimation, thereby improving generalization. We further show that this initialisation strongly influences training dynamics through the Neural Tangent Kernel framework (NTK). Finally, we benchmark \texttt{SIREN} with the proposed initialisation against the original scheme and other baselines on function fitting and image reconstruction. The new initialisation consistently outperforms state-of-the-art methods across a wide range of reconstruction tasks, including those involving physics-informed neural networks.
Hankel-FNO: Fast Underwater Acoustic Charting Via Physics-Encoded Fourier Neural Operator
Sun, Yifan, Cheng, Lei, Li, Jianlong, Gerstoft, Peter
Fast and accurate underwater acoustic charting is crucial for downstream tasks such as environment-aware sensor placement optimization and autonomous vehicle path planning. Conventional methods rely on computationally expensive while accurate numerical solvers, which are not scalable for large-scale or real-time applications. Although deep learning-based surrogate models can accelerate these computations, they often suffer from limitations such as fixed-resolution constraints or dependence on explicit partial differential equation formulations. These issues hinder their applicability and generalization across diverse environments. We propose Hankel-FNO, a Fourier Neural Operator (FNO)-based model for efficient and accurate acoustic charting. By incorporating sound propagation knowledge and bathymetry, our method has high accuracy while maintaining high computational speed. Results demonstrate that Hankel-FNO outperforms traditional solvers in speed and surpasses data-driven alternatives in accuracy, especially in long-range predictions. Experiments show the model's adaptability to diverse environments and sound source settings with minimal fine-tuning.
UncertaintyZoo: A Unified Toolkit for Quantifying Predictive Uncertainty in Deep Learning Systems
Wu, Xianzong, Li, Xiaohong, Quan, Lili, Hu, Qiang
Large language models(LLMs) are increasingly expanding their real-world applications across domains, e.g., question answering, autonomous driving, and automatic software development. Despite this achievement, LLMs, as data-driven systems, often make incorrect predictions, which can lead to potential losses in safety-critical scenarios. To address this issue and measure the confidence of model outputs, multiple uncertainty quantification(UQ) criteria have been proposed. However, even though important, there are limited tools to integrate these methods, hindering the practical usage of UQ methods and future research in this domain. To bridge this gap, in this paper, we introduce UncertaintyZoo, a unified toolkit that integrates 29 uncertainty quantification methods, covering five major categories under a standardized interface. Using UncertaintyZoo, we evaluate the usefulness of existing uncertainty quantification methods under the code vulnerability detection task on CodeBERT and ChatGLM3 models. The results demonstrate that UncertaintyZoo effectively reveals prediction uncertainty. The tool with a demonstration video is available on the project site https://github.com/Paddingbuta/UncertaintyZoo.