Large Language Models (LLMs) have demonstrated remarkable performance on coding related tasks, particularly on assisting humans in programming and facilitating programming automation. However, existing benchmarks for evaluating the code understanding and generation capacities of LLMs suffer from severe limitations. First, most benchmarks are deficient as they focus on a narrow range of popular programming languages and specific tasks, whereas the real-world software development scenarios show dire need to implement systems with multilingual programming environments to satisfy diverse requirements. Practical programming practices also strongly expect multi-task settings for testing coding capabilities of LLMs comprehensively and robustly. Second, most benchmarks also fail to consider the actual executability and the consistency of execution results of the generated code. To bridge these gaps between existing benchmarks and expectations from practical applications, we introduce CodeScope, an execution-based, multilingual, multi-task, multi-dimensional evaluation benchmark for comprehensively gauging LLM capabilities on coding tasks. CodeScope covers 43 programming languages and 8 coding tasks. It evaluates the coding performance of LLMs from three dimensions (perspectives): difficulty, efficiency, and length. To facilitate execution-based evaluations of code generation, we develop MultiCodeEngine, an automated code execution engine that supports 14 programming languages. Finally, we systematically evaluate and analyze 8 mainstream LLMs on CodeScope tasks and demonstrate the superior breadth and challenges of CodeScope for evaluating LLMs on code understanding and generation tasks compared to other benchmarks. The CodeScope benchmark and datasets are publicly available at https://github.com/WeixiangYAN/CodeScope.

--Accurate and efficient power flow (PF) analysis is crucial in modern electrical networks' operation and planning. Therefore, there is a need for scalable algorithms that can provide accurate and fast solutions for both small and large scale power networks. As the power network can be interpreted as a graph, Graph Neural Networks (GNNs) have emerged as a promising approach for improving the accuracy and speed of PF approximations by exploiting information sharing via the underlying graph structure. In this study, we introduce PowerFlowNet, a novel GNN architecture for PF approximation that showcases similar performance with the traditional Newton-Raphson method but achieves it 4 times faster in the simple IEEE 14-bus system and 145 times faster in the realistic case of the French high voltage network (6470rte). Meanwhile, it significantly outperforms other traditional approximation methods, such as the DC relaxation method, in terms of performance and execution time; therefore, making PowerFlowNet a highly promising solution for real-world PF analysis. Furthermore, we verify the efficacy of our approach by conducting an in-depth experimental evaluation, thoroughly examining the performance, scalability, interpretability, and architectural dependability of PowerFlowNet. The evaluation provides insights into the behavior and potential applications of GNNs in power system analysis. HE complexity of electrical power systems is continuously rising, largely attributed to the substantial integration of decentralized renewable energy resources. Within this context, power flow (PF) stands as a fundamental challenge in ensuring the stability of power systems, playing a pivotal role in both the operational management and long-term planning of electrical networks. This work used the Dutch national e-infrastructure with the support of the SURF Cooperative using grant no. This publication is part of the project ALIGN4energy (with project number NW A.1389.20.251) of the research programme NW A ORC 2020 which is (partly) financed by the Dutch Research Council (NWO). Stavros is by the HORIZON Europe Drive2X Project 101056934.

Generative AI models garnered a large amount of public attention and speculation with the release of OpenAIs chatbot, ChatGPT. At least two opinion camps exist: one excited about possibilities these models offer for fundamental changes to human tasks, and another highly concerned about power these models seem to have. To address these concerns, we assessed several LLMs, primarily GPT 3.5, using standard, normed, and validated cognitive and personality measures. For this seedling project, we developed a battery of tests that allowed us to estimate the boundaries of some of these models capabilities, how stable those capabilities are over a short period of time, and how they compare to humans. Our results indicate that LLMs are unlikely to have developed sentience, although its ability to respond to personality inventories is interesting. GPT3.5 did display large variability in both cognitive and personality measures over repeated observations, which is not expected if it had a human-like personality. Variability notwithstanding, LLMs display what in a human would be considered poor mental health, including low self-esteem, marked dissociation from reality, and in some cases narcissism and psychopathy, despite upbeat and helpful responses.

Matbench Discovery simulates the deployment of machine learning (ML) energy models in a high-throughput search for stable inorganic crystals. We address the disconnect between (i) thermodynamic stability and formation energy and (ii) in-domain vs out-of-distribution performance. Alongside this paper, we publish a Python package to aid with future model submissions and a growing online leaderboard with further insights into trade-offs between various performance metrics. To answer the question which ML methodology performs best at materials discovery, our initial release explores a variety of models including random forests, graph neural networks (GNN), one-shot predictors, iterative Bayesian optimizers and universal interatomic potentials (UIP). Ranked best-to-worst by their test set F1 score on thermodynamic stability prediction, we find CHGNet > M3GNet > MACE > ALIGNN > MEGNet > CGCNN > CGCNN+P > Wrenformer > BOWSR > Voronoi tessellation fingerprints with random forest. The top 3 models are UIPs, the winning methodology for ML-guided materials discovery, achieving F1 scores of ~0.6 for crystal stability classification and discovery acceleration factors (DAF) of up to 5x on the first 10k most stable predictions compared to dummy selection from our test set. We also highlight a sharp disconnect between commonly used global regression metrics and more task-relevant classification metrics. Accurate regressors are susceptible to unexpectedly high false-positive rates if those accurate predictions lie close to the decision boundary at 0 eV/atom above the convex hull where most materials are. Our results highlight the need to focus on classification metrics that actually correlate with improved stability hit rate.

Fluid prediction is a long-standing challenge due to the intrinsic high-dimensional non-linear dynamics. Previous methods usually utilize the non-linear modeling capability of deep models to directly estimate velocity fields for future prediction. However, skipping over inherent physical properties but directly learning superficial velocity fields will overwhelm the model from generating precise or physics-reliable results. In this paper, we propose the HelmFluid toward an accurate and interpretable predictor for fluid. Inspired by the Helmholtz theorem, we design a HelmDynamics block to learn Helmholtz dynamics, which decomposes fluid dynamics into more solvable curl-free and divergence-free parts, physically corresponding to potential and stream functions of fluid. By embedding the HelmDynamics block into a Multiscale Multihead Integral Architecture, HelmFluid can integrate learned Helmholtz dynamics along temporal dimension in multiple spatial scales to yield future fluid. Compared with previous velocity estimating methods, HelmFluid is faithfully derived from Helmholtz theorem and ravels out complex fluid dynamics with physically interpretable evidence. Experimentally, HelmFluid achieves consistent state-of-the-art in both numerical simulated and real-world observed benchmarks, even for scenarios with complex boundaries.

Transformers have empowered many milestones across various fields and have recently been applied to solve partial differential equations (PDEs). However, since PDEs are typically discretized into large-scale meshes with complex geometries, it is challenging for Transformers to capture intricate physical correlations directly from massive individual points. Going beyond superficial and unwieldy meshes, we present Transolver based on a more foundational idea, which is learning intrinsic physical states hidden behind discretized geometries. Specifically, we propose a new Physics-Attention to adaptively split the discretized domain into a series of learnable slices of flexible shapes, where mesh points under similar physical states will be ascribed to the same slice. By calculating attention to physics-aware tokens encoded from slices, Transovler can effectively capture intricate physical correlations under complex geometrics, which also empowers the solver with endogenetic geometry-general modeling capacity and can be efficiently computed in linear complexity. Transolver achieves consistent state-of-the-art with 22\% relative gain across six standard benchmarks and also excels in large-scale industrial simulations, including car and airfoil designs.

Inspired by animals that co-adapt their brain and body to interact with the environment, we present a tendon-driven and over-actuated (i.e., n joint, n+1 actuators) bipedal robot that (i) exploits its backdrivable mechanical properties to manage body-environment interactions without explicit control, and (ii) uses a simple 3-layer neural network to learn to walk after only 2 minutes of 'natural' motor babbling (i.e., an exploration strategy that is compatible with leg and task dynamics; akin to childsplay). This brain-body collaboration first learns to produce feet cyclical movements 'in air' and, without further tuning, can produce locomotion when the biped is lowered to be in slight contact with the ground. In contrast, training with 2 minutes of 'naive' motor babbling (i.e., an exploration strategy that ignores leg task dynamics), does not produce consistent cyclical movements 'in air', and produces erratic movements and no locomotion when in slight contact with the ground. When further lowering the biped and making the desired leg trajectories reach 1cm below ground (causing the desired-vs-obtained trajectories error to be unavoidable), cyclical movements based on either natural or naive babbling presented almost equally persistent trends, and locomotion emerged with naive babbling. Therefore, we show how continual learning of walking in unforeseen circumstances can be driven by continual physical adaptation rooted in the backdrivable properties of the plant and enhanced by exploration strategies that exploit plant dynamics. Our studies also demonstrate that the bio-inspired codesign and co-adaptations of limbs and control strategies can produce locomotion without explicit control of trajectory errors.

Tensor network structure search (TN-SS), aiming at searching for suitable tensor network (TN) structures in representing high-dimensional problems, largely promotes the efficacy of TN in various machine learning applications. Nonetheless, finding a satisfactory TN structure using existing algorithms remains challenging. To develop more effective algorithms and avoid the human labor-intensive development process, we explore the knowledge embedded in large language models (LLMs) for the automatic design of TN-SS algorithms. Our approach, dubbed GPTN-SS, leverages an elaborate crafting LLM-based prompting system that operates in an evolutionary-like manner. The experimental results, derived from real-world data, demonstrate that GPTN-SS can effectively leverage the insights gained from existing methods to develop novel TN-SS algorithms that achieve a better balance between exploration and exploitation. These algorithms exhibit superior performance in searching the high-quality TN structures for natural image compression and model parameters compression while also demonstrating generalizability in their performance.

Bilevel optimization deals with nested problems in which a leader takes the first decision to minimize their objective function while accounting for a follower's best-response reaction. Constrained bilevel problems with integer variables are particularly notorious for their hardness. While exact solvers have been proposed for mixed-integer linear bilevel optimization, they tend to scale poorly with problem size and are hard to generalize to the non-linear case. On the other hand, problem-specific algorithms (exact and heuristic) are limited in scope. Under a data-driven setting in which similar instances of a bilevel problem are solved routinely, our proposed framework, Neur2BiLO, embeds a neural network approximation of the leader's or follower's value function, trained via supervised regression, into an easy-to-solve mixed-integer program. Neur2BiLO serves as a heuristic that produces high-quality solutions extremely fast for the bilevel knapsack interdiction problem, the "critical node game" from network security, a donor-recipient healthcare problem, and discrete network design from transportation planning. These problems are diverse in that they have linear or non-linear objectives/constraints and integer or mixed-integer variables, making Neur2BiLO unique in its versatility.

The performance of prediction-based assistance for robot teleoperation degrades in unseen or goal-rich environments due to incorrect or quickly-changing intent inferences. Poor predictions can confuse operators or cause them to change their control input to implicitly signal their goal, resulting in unnatural movement. We present a new assistance algorithm and interface for robotic manipulation where an operator can explicitly communicate a manipulation goal by pointing the end-effector. Rapid optimization and parallel collision checking in a local region around the pointing target enable direct, interactive control over grasp and place pose candidates. We compare the explicit pointing interface to an implicit inference-based assistance scheme in a within-subjects user study (N=20) where participants teleoperate a simulated robot to complete a multi-step singulation and stacking task in cluttered environments. We find that operators prefer the explicit interface, which improved completion time, pick and place success rates, and NASA TLX scores. Our code is available at https://github.com/NVlabs/fast-explicit-teleop