Building effective and efficient Transformer-based large language models (LLMs) has recently become a research focus, requiring maximizing model language capabilities and minimizing training and deployment costs. Existing efforts have primarily described complex relationships among model performance, parameter size, and data size, as well as searched for the optimal compute allocation to train LLMs. However, they overlook the impacts of context length and attention head configuration (the number of query and key-value heads in grouped-query attention) on training and inference. In this paper, we systematically compare models with different parameter sizes, context lengths, and attention head configurations in terms of model performance, computational cost, and memory cost. Then, we extend the existing scaling methods, which are based solely on parameter size and training compute, to guide the construction of cost-optimal LLMs during both training and inference. Our quantitative scaling studies show that, when processing sufficiently long sequences, a larger model with fewer attention heads can achieve a lower loss while incurring lower computational and memory costs. Our findings provide valuable insights for developing practical LLMs, especially in long-context processing scenarios. We will publicly release our code and data.

The rapid development and large body of literature on machine learning interatomic potentials (MLIPs) can make it difficult to know how to proceed for researchers who are not experts but wish to use these tools. The spirit of this review is to help such researchers by serving as a practical, accessible guide to the state-of-the-art in MLIPs. This review paper covers a broad range of topics related to MLIPs, including (i) central aspects of how and why MLIPs are enablers of many exciting advancements in molecular modeling, (ii) the main underpinnings of different types of MLIPs, including their basic structure and formalism, (iii) the potentially transformative impact of universal MLIPs for both organic and inorganic systems, including an overview of the most recent advances, capabilities, downsides, and potential applications of this nascent class of MLIPs, (iv) a practical guide for estimating and understanding the execution speed of MLIPs, including guidance for users based on hardware availability, type of MLIP used, and prospective simulation size and time, (v) a manual for what MLIP a user should choose for a given application by considering hardware resources, speed requirements, energy and force accuracy requirements, as well as guidance for choosing pre-trained potentials or fitting a new potential from scratch, (vi) discussion around MLIP infrastructure, including sources of training data, pre-trained potentials, and hardware resources for training, (vii) summary of some key limitations of present MLIPs and current approaches to mitigate such limitations, including methods of including long-range interactions, handling magnetic systems, and treatment of excited states, and finally (viii) we finish with some more speculative thoughts on what the future holds for the development and application of MLIPs over the next 3-10+ years.

-- We introduce Vision-Language Attention Distillation (Vi-LAD), a novel approach for distilling socially compliant navigation knowledge from a large Vision-Language Model (VLM) into a lightweight transformer model for real-time robotic navigation. Unlike traditional methods that rely on expert demonstrations or human-annotated datasets, Vi-LAD performs knowledge distillation and fine-tuning at the intermediate layer representation level (i.e., attention maps) by leveraging the backbone of a pre-trained vision-action model. These attention maps highlight key navigational regions in a given scene, which serve as implicit guidance for socially aware motion planning. Vi-LAD fine-tunes a transformer-based model using intermediate attention maps extracted from the pre-trained vision-action model, combined with attention-like semantic maps constructed from a large VLM. T o achieve this, we introduce a novel attention-level distillation loss that fuses knowledge from both sources, generating augmented attention maps with enhanced social awareness. These refined attention maps are then utilized as a traversability costmap within a socially aware model predictive controller (MPC) for navigation. We validate our approach through real-world experiments on a Husky wheeled robot, demonstrating significant improvements over state-of-the-art (SOT A) navigation methods. Our results show up to 14.2% - 50% improvement in success rate, which highlights the effectiveness of Vi-LAD in enabling socially compliant and efficient robot navigation. I NTRODUCTION As autonomous robots become increasingly integrated into human-centered environments, ensuring safe, efficient, and socially compliant navigation is a critical challenge [1].

Algorithmic fairness has received considerable attention due to the failures of various predictive AI systems that have been found to be unfairly biased against subgroups of the population. Many approaches have been proposed to mitigate such biases in predictive systems, however, they often struggle to provide accurate estimates and transparent correction mechanisms in the case where multiple sensitive variables, such as a combination of gender and race, are involved. This paper introduces a new open source Python package, EquiPy, which provides a easy-to-use and model agnostic toolbox for efficiently achieving fairness across multiple sensitive variables. It also offers comprehensive graphic utilities to enable the user to interpret the influence of each sensitive variable within a global context. EquiPy makes use of theoretical results that allow the complexity arising from the use of multiple variables to be broken down into easier-to-solve sub-problems. We demonstrate the ease of use for both mitigation and interpretation on publicly available data derived from the US Census and provide sample code for its use.

We propose a 3D U-Net model to predict the spatial distribution of electromagnetic fields inside a radio-frequency (RF) coil with a subject present, using the phase, amplitude, and position of the coils, along with the density, permittivity, and conductivity of the surrounding medium as inputs. To improve accuracy, we introduce a physics-augmented variant, U-Net Phys, which incorporates Gauss's law of magnetism into the loss function using finite differences. We train our models on electromagnetic field simulations from CST Studio Suite for an eight-channel dipole array RF coil at 7T MRI. Experimental results show that U-Net Phys significantly outperforms the standard U-Net, particularly in predicting fields within the subject, demonstrating the advantage of integrating physical constraints into deep learning-based field prediction.

Predictive models of the future are fundamental for an agent's ability to reason and plan. A common strategy learns a world model and unrolls it step-by-step at inference, where small errors can rapidly compound. Geometric Horizon Models (GHMs) offer a compelling alternative by directly making predictions of future states, avoiding cumulative inference errors. While GHMs can be conveniently learned by a generative analog to temporal difference (TD) learning, existing methods are negatively affected by bootstrapping predictions at train time and struggle to generate high-quality predictions at long horizons. This paper introduces Temporal Difference Flows (TD-Flow), which leverages the structure of a novel Bellman equation on probability paths alongside flow-matching techniques to learn accurate GHMs at over 5x the horizon length of prior methods. Theoretically, we establish a new convergence result and primarily attribute TD-Flow's efficacy to reduced gradient variance during training. We further show that similar arguments can be extended to diffusion-based methods. Empirically, we validate TD-Flow across a diverse set of domains on both generative metrics and downstream tasks including policy evaluation. Moreover, integrating TD-Flow with recent behavior foundation models for planning over pre-trained policies demonstrates substantial performance gains, underscoring its promise for long-horizon decision-making.

Given the recent rate of progress in artificial intelligence (AI) and robotics, a tantalizing question is emerging: would robots controlled by emerging AI systems be strongly aligned with human values? In this work, we propose a scalable way to probe this question by generating a benchmark spanning the key moments in 824 major pieces of science fiction literature (movies, tv, novels and scientific books) where an agent (AI or robot) made critical decisions (good or bad). We use a LLM's recollection of each key moment to generate questions in similar situations, the decisions made by the agent, and alternative decisions it could have made (good or bad). We then measure an approximation of how well models align with human values on a set of human-voted answers. We also generate rules that can be automatically improved via amendment process in order to generate the first Sci-Fi inspired constitutions for promoting ethical behavior in AIs and robots in the real world. Our first finding is that modern LLMs paired with constitutions turn out to be well-aligned with human values (95.8%), contrary to unsettling decisions typically made in SciFi (only 21.2% alignment). Secondly, we find that generated constitutions substantially increase alignment compared to the base model (79.4% to 95.8%), and show resilience to an adversarial prompt setting (23.3% to 92.3%). Additionally, we find that those constitutions are among the top performers on the ASIMOV Benchmark which is derived from real-world images and hospital injury reports. Sci-Fi-inspired constitutions are thus highly aligned and applicable in real-world situations. We release SciFi-Benchmark: a large-scale dataset to advance robot ethics and safety research. It comprises 9,056 questions and 53,384 answers, in addition to a smaller human-labeled evaluation set. Data is available at https://scifi-benchmark.github.io

The fundamental thermodynamic bound is derived for the energy cost of inference in Deep Neural Networks (DNNs). By applying Landauer's principle, we demonstrate that the linear operations in DNNs can, in principle, be performed reversibly, whereas the non-linear activation functions impose an unavoidable energy cost. The resulting theoretical lower bound on the inference energy is determined by the average number of neurons undergoing state transition for each inference. We also restate the thermodynamic bound in terms of negentropy, a metric which is more universal than energy for assessing thermodynamic cost of information processing. Concept of negentropy is further elaborated in the context of information processing in biological and engineered system as well as human intelligence. Our analysis provides insight into the physical limits of DNN efficiency and suggests potential directions for developing energy-efficient AI architectures that leverage reversible analog computing.

This paper introduces a data-driven graphical framework for the real-time search of risky cascading fault chains (FCs) in power-grids, crucial for enhancing grid resiliency in the face of climate change. As extreme weather events driven by climate change increase, identifying risky FCs becomes crucial for mitigating cascading failures and ensuring grid stability. However, the complexity of the spatio-temporal dependencies among grid components and the exponential growth of the search space with system size pose significant challenges to modeling and risky FC search. To tackle this, we model the search process as a partially observable Markov decision process (POMDP), which is subsequently solved via a time-varying graph recurrent neural network (GRNN). This approach captures the spatial and temporal structure induced by the system's topology and dynamics, while efficiently summarizing the system's history in the GRNN's latent space, enabling scalable and effective identification of risky FCs.

The deployment of sensors for air quality monitoring is constrained by high costs, leading to inadequate network coverage and data deficits in some areas. Utilizing existing observations, spatio-temporal kriging is a method for estimating air quality at unobserved locations during a specific period. Inductive spatio-temporal kriging with increment training strategy has demonstrated its effectiveness using virtual nodes to simulate unobserved nodes. However, a disparity between virtual and real nodes persists, complicating the application of learning patterns derived from virtual nodes to actual unobserved ones. To address these limitations, this paper presents a Physics-Guided Increment Training Strategy (PGITS). Specifically, we design a dynamic graph generation module to incorporate the advection and diffusion processes of airborne particles as physical knowledge into the graph structure, dynamically adjusting the adjacency matrix to reflect physical interactions between nodes. By using physics principles as a bridge between virtual and real nodes, this strategy ensures the features of virtual nodes and their pseudo labels are closer to actual nodes. Consequently, the learned patterns of virtual nodes can be applied to actual unobserved nodes for effective kriging.