A Geometry-Aware Message Passing Neural Network for Modeling Aerodynamics over Airfoils

Computational modeling of aerodynamics is a key problem in aerospace engineering, often involving flows interacting with solid objects such as airfoils. Deep surrogate models have emerged as purely data-driven approaches that learn direct mappings from simulation conditions to solutions based on either simulation or experimental data. Here, we consider modeling of incompressible flows over solid objects, wherein geometric structures are a key factor in determining aerodynamics. To effectively incorporate geometries, we propose a message passing scheme that efficiently and expressively integrates the airfoil shape with the mesh representation. Under this framework, we first obtain a representation of the geometry in the form of a latent graph on the airfoil surface. We subsequently propagate this representation to all collocation points through message passing on a directed, bipartite graph. We demonstrate that this framework supports efficient training by downsampling the solution mesh while avoiding distribution shifts at test time when evaluated on the full mesh. To enable our model to be able to distinguish between distinct spatial regimes of dynamics relative to the airfoil, we represent mesh points in both a leading edge and trailing edge coordinate system. We further enhance the expressiveness of our coordinate system representations by embedding our hybrid Polar-Cartesian coordinates using sinusoidal and spherical harmonics bases. We additionally find that a change of basis to canonicalize input representations with respect to inlet velocity substantially improves generalization. Altogether, these design choices lead to a purely data-driven machine learning framework known as GeoMPNN, which won the Best Student Submission award at the NeurIPS 2024 ML4CFD Competition, placing 4th overall. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

Dynamic-VLM: Simple Dynamic Visual Token Compression for VideoLLM

The application of Large Vision-Language Models (LVLMs) for analyzing images and videos is an exciting and rapidly evolving field. In recent years, we've seen significant growth in high-quality image-text datasets for fine-tuning image understanding, but there is still a lack of comparable datasets for videos. Additionally, many VideoLLMs are extensions of single-image VLMs, which may not efficiently handle the complexities of longer videos. In this study, we introduce a large-scale synthetic dataset created from proprietary models, using carefully designed prompts to tackle a wide range of questions. We also explore a dynamic visual token compression architecture that strikes a balance between computational efficiency and performance. Our proposed \model{} achieves state-of-the-art results across various video tasks and shows impressive generalization, setting new baselines in multi-image understanding. Notably, \model{} delivers an absolute improvement of 2.7\% over LLaVA-OneVision on VideoMME and 10.7\% on MuirBench. Codes are available at https://github.com/Hon-Wong/ByteVideoLLM

Stag-1: Towards Realistic 4D Driving Simulation with Video Generation Model

4D driving simulation is essential for developing realistic autonomous driving simulators. Despite advancements in existing methods for generating driving scenes, significant challenges remain in view transformation and spatial-temporal dynamic modeling. To address these limitations, we propose a Spatial-Temporal simulAtion for drivinG (Stag-1) model to reconstruct real-world scenes and design a controllable generative network to achieve 4D simulation. Stag-1 constructs continuous 4D point cloud scenes using surround-view data from autonomous vehicles. It decouples spatial-temporal relationships and produces coherent keyframe videos. Additionally, Stag-1 leverages video generation models to obtain photo-realistic and controllable 4D driving simulation videos from any perspective. To expand the range of view generation, we train vehicle motion videos based on decomposed camera poses, enhancing modeling capabilities for distant scenes. Furthermore, we reconstruct vehicle camera trajectories to integrate 3D points across consecutive views, enabling comprehensive scene understanding along the temporal dimension. Following extensive multi-level scene training, Stag-1 can simulate from any desired viewpoint and achieve a deep understanding of scene evolution under static spatial-temporal conditions. Compared to existing methods, our approach shows promising performance in multi-view scene consistency, background coherence, and accuracy, and contributes to the ongoing advancements in realistic autonomous driving simulation. Code: https://github.com/wzzheng/Stag.

DEMO: Reframing Dialogue Interaction with Fine-grained Element Modeling

Large language models (LLMs) have made dialogue one of the central modes of human-machine interaction, leading to the accumulation of vast amounts of conversation logs and increasing demand for dialogue generation. A conversational life-cycle spans from the Prelude through the Interlocution to the Epilogue, encompassing various elements. Despite the existence of numerous dialogue-related studies, there is a lack of benchmarks that encompass comprehensive dialogue elements, hindering precise modeling and systematic evaluation. To bridge this gap, we introduce an innovative research task $\textbf{D}$ialogue $\textbf{E}$lement $\textbf{MO}$deling, including $\textit{Element Awareness}$ and $\textit{Dialogue Agent Interaction}$, and propose a novel benchmark, $\textbf{DEMO}$, designed for a comprehensive dialogue modeling and assessment. Inspired by imitation learning, we further build the agent which possesses the adept ability to model dialogue elements based on the DEMO benchmark. Extensive experiments indicate that existing LLMs still exhibit considerable potential for enhancement, and our DEMO agent has superior performance in both in-domain and out-of-domain tasks.

USTCCTSU at SemEval-2024 Task 1: Reducing Anisotropy for Cross-lingual Semantic Textual Relatedness Task

Cross-lingual semantic textual relatedness task is an important research task that addresses challenges in cross-lingual communication and text understanding. It helps establish semantic connections between different languages, crucial for downstream tasks like machine translation, multilingual information retrieval, and cross-lingual text understanding.Based on extensive comparative experiments, we choose the XLM-R-base as our base model and use pre-trained sentence representations based on whitening to reduce anisotropy.Additionally, for the given training data, we design a delicate data filtering method to alleviate the curse of multilingualism. With our approach, we achieve a 2nd score in Spanish, a 3rd in Indonesian, and multiple entries in the top ten results in the competition's track C. We further do a comprehensive analysis to inspire future research aimed at improving performance on cross-lingual tasks.

BackdoorMBTI: A Backdoor Learning Multimodal Benchmark Tool Kit for Backdoor Defense Evaluation

We introduce BackdoorMBTI, the first backdoor learning toolkit and benchmark designed for multimodal evaluation across three representative modalities from eleven commonly used datasets. BackdoorMBTI provides a systematic backdoor learning pipeline, encompassing data processing, data poisoning, backdoor training, and evaluation. The generated poison datasets and backdoor models enable detailed evaluation of backdoor defense methods. Given the diversity of modalities, BackdoorMBTI facilitates systematic evaluation across different data types. Furthermore, BackdoorMBTI offers a standardized approach to handling practical factors in backdoor learning, such as issues related to data quality and erroneous labels. We anticipate that BackdoorMBTI will expedite future research in backdoor defense methods within a multimodal context. Code is available at https://anonymous.4open.science/r/BackdoorMBTI-D6A1/README.md.

IOPO: Empowering LLMs with Complex Instruction Following via Input-Output Preference Optimization

In the realm of large language models (LLMs), the ability of models to accurately follow instructions is paramount as more agents and applications leverage LLMs for construction, where the complexity of instructions are rapidly increasing. However, on the one hand, there is only a certain amount of complex instruction evaluation data; on the other hand, there are no dedicated algorithms to improve the ability to follow complex instructions. To this end, this paper introduces TRACE, a benchmark for improving and evaluating the complex instructionfollowing ability, which consists of 120K training data and 1K evaluation data. Furthermore, we propose IOPO (Input-Output Preference Optimization) alignment method which takes both input and output preference pairs into consideration, where LLMs not only rapidly align with response preferences but also meticulously explore the instruction preferences. Extensive experiments on both in-domain and outof-domain datasets confirm the effectiveness of IOPO, showing 8.15%, 2.18% improvements on in-domain data and 6.29%, 3.13% on outof-domain data compared to SFT and DPO respectively.

Equivariant Graph Network Approximations of High-Degree Polynomials for Force Field Prediction

Recent advancements in equivariant deep models have shown promise in accurately predicting atomic potentials and force fields in molecular dynamics simulations. Using spherical harmonics (SH) and tensor products (TP), these equivariant networks gain enhanced physical understanding, like symmetries and many-body interactions. Beyond encoding physical insights, SH and TP are also crucial to represent equivariant polynomial functions. In this work, we analyze the equivariant polynomial functions for the equivariant architecture, and introduce a novel equivariant network, named PACE. The proposed PACE utilizes edge booster and the Atomic Cluster Expansion (ACE) technique to approximate a greater number of $SE(3) \times S_n$ equivariant polynomial functions with enhanced degrees. As experimented in commonly used benchmarks, PACE demonstrates state-of-the-art performance in predicting atomic energy and force fields, with robust generalization capability across various geometric distributions under molecular dynamics (MD) across different temperature conditions. Our code is publicly available as part of the AIRS library https://github.com/divelab/AIRS/.

Transferable Post-training via Inverse Value Learning

As post-training processes utilize increasingly large datasets and base models continue to grow in size, the computational demands and implementation challenges of existing algorithms are escalating significantly. In this paper, we propose modeling the changes at the logits level during post-training using a separate neural network (i.e., the value network). After training this network on a small base model using demonstrations, this network can be seamlessly integrated with other pre-trained models during inference, enables them to achieve similar capability enhancements. We systematically investigate the best practices for this paradigm in terms of pre-training weights and connection schemes. We demonstrate that the resulting value network has broad transferability across pre-trained models of different parameter sizes within the same family, models undergoing continuous pre-training within the same family, and models with different vocabularies across families. In certain cases, it can achieve performance comparable to full-parameter fine-tuning. Furthermore, we explore methods to enhance the transferability of the value model and prevent overfitting to the base model used during training.

On the Role of Attention Heads in Large Language Model Safety

Large language models (LLMs) achieve state-of-the-art performance on multiple language tasks, yet their safety guardrails can be circumvented, leading to harmful generations. In light of this, recent research on safety mechanisms has emerged, revealing that when safety representations or component are suppressed, the safety capability of LLMs are compromised. However, existing research tends to overlook the safety impact of multi-head attention mechanisms, despite their crucial role in various model functionalities. Hence, in this paper, we aim to explore the connection between standard attention mechanisms and safety capability to fill this gap in the safety-related mechanistic interpretability. We propose a novel metric which tailored for multi-head attention, the Safety Head ImPortant Score (Ships), to assess the individual heads' contributions to model safety. Based on this, we generalize Ships to the dataset level and further introduce the Safety Attention Head AttRibution Algorithm (Sahara) to attribute the critical safety attention heads inside the model. Our findings show that the special attention head has a significant impact on safety. Ablating a single safety head allows aligned model (e.g., Llama-2-7b-chat) to respond to 16 times more harmful queries, while only modifying 0.006% of the parameters, in contrast to the ~ 5% modification required in previous studies. More importantly, we demonstrate that attention heads primarily function as feature extractors for safety and models fine-tuned from the same base model exhibit overlapping safety heads through comprehensive experiments. Together, our attribution approach and findings provide a novel perspective for unpacking the black box of safety mechanisms within large models.