我们探索不同的策略，将先前的领域知识整合到深神经网络（DNN）的设计中。我们专注于图形神经网络（GNN），其用例是估计表示为图的化学系统（分子和晶体）的势能。我们将域知识的两个要素集成到GNN的设计中，以限制和正规化其学习，以提高准确性和泛化。首先，关于原子之间不同类型关系（化学键）存在的知识用于调节GNN中的节点的相互作用。其次，对某些物理数量的相关性的知识用于使用简单的多任务范式将学习的特征限制为更高的物理相关性。我们通过将它们应用于两个依赖不同机制来传播节点和更新节点状态的不同机制的架构来证明我们的知识集成的一般适用性。

With growing sophistication and volume of cyber attacks combined with complex network structures, it is becoming extremely difficult for security analysts to corroborate evidences to identify multistage campaigns on their network. This work develops HeAT (Heated Alert Triage): given a critical indicator of compromise (IoC), e.g., a severe IDS alert, HeAT produces a HeATed Attack Campaign (HAC) depicting the multistage activities that led up to the critical event. We define the concept of "Alert Episode Heat" to represent the analysts opinion of how much an event contributes to the attack campaign of the critical IoC given their knowledge of the network and security expertise. Leveraging a network-agnostic feature set, HeAT learns the essence of analyst's assessment of "HeAT" for a small set of IoC's, and applies the learned model to extract insightful attack campaigns for IoC's not seen before, even across networks by transferring what have been learned. We demonstrate the capabilities of HeAT with data collected in Collegiate Penetration Testing Competition (CPTC) and through collaboration with a real-world SOC. We developed HeAT-Gain metrics to demonstrate how analysts may assess and benefit from the extracted attack campaigns in comparison to common practices where IP addresses are used to corroborate evidences. Our results demonstrates the practical uses of HeAT by finding campaigns that span across diverse attack stages, remove a significant volume of irrelevant alerts, and achieve coherency to the analyst's original assessments.

To reproduce the success of text-to-image (T2I) generation, recent works in text-to-video (T2V) generation employ large-scale text-video dataset for fine-tuning. However, such paradigm is computationally expensive. Humans have the amazing ability to learn new visual concepts from just one single exemplar. We hereby study a new T2V generation problem$\unicode{x2014}$One-Shot Video Generation, where only a single text-video pair is presented for training an open-domain T2V generator. Intuitively, we propose to adapt the T2I diffusion model pretrained on massive image data for T2V generation. We make two key observations: 1) T2I models are able to generate images that align well with the verb terms; 2) extending T2I models to generate multiple images concurrently exhibits surprisingly good content consistency. To further learn continuous motion, we propose Tune-A-Video with a tailored Sparse-Causal Attention, which generates videos from text prompts via an efficient one-shot tuning of pretrained T2I diffusion models. Tune-A-Video is capable of producing temporally-coherent videos over various applications such as change of subject or background, attribute editing, style transfer, demonstrating the versatility and effectiveness of our method.

A self-supervised adaptive low-light video enhancement (SALVE) method is proposed in this work. SALVE first conducts an effective Retinex-based low-light image enhancement on a few key frames of an input low-light video. Next, it learns mappings from the low- to enhanced-light frames via Ridge regression. Finally, it uses these mappings to enhance the remaining frames in the input video. SALVE is a hybrid method that combines components from a traditional Retinex-based image enhancement method and a learning-based method. The former component leads to a robust solution which is easily adaptive to new real-world environments. The latter component offers a fast, computationally inexpensive and temporally consistent solution. We conduct extensive experiments to show the superior performance of SALVE. Our user study shows that 87% of participants prefer SALVE over prior work.

We propose a novel task, G4C (Goal-driven Guidance Generation in Grounded Communication), for studying goal-driven and grounded natural language interactions. Specifically, we choose Dungeons and Dragons (D&D) -- a role-playing game consisting of multiple player characters and a Dungeon Master (DM) who collaborate to achieve a set of goals that are beneficial to the players -- as a testbed for this task. Here, each of the player characters is a student, with their own personas and abilities, and the DM is the teacher, an arbitrator of the rules of the world and responsible for assisting and guiding the students towards a global goal. We propose a theory-of-mind-inspired methodology for training such a DM with reinforcement learning (RL), where a DM: (1) learns to predict how the players will react to its utterances using a dataset of D&D dialogue transcripts; and (2) uses this prediction as a reward function providing feedback on how effective these utterances are at guiding the players towards a goal. Human and automated evaluations show that a DM trained with RL to generate guidance by incorporating a theory-of-mind of the players significantly improves the players' ability to achieve goals grounded in their shared world.

Adversarial attacks hamper the decision-making ability of neural networks by perturbing the input signal. The addition of calculated small distortion to images, for instance, can deceive a well-trained image classification network. In this work, we propose a novel attack technique called Sparse Adversarial and Interpretable Attack Framework (SAIF). Specifically, we design imperceptible attacks that contain low-magnitude perturbations at a small number of pixels and leverage these sparse attacks to reveal the vulnerability of classifiers. We use the Frank-Wolfe (conditional gradient) algorithm to simultaneously optimize the attack perturbations for bounded magnitude and sparsity with $O(1/\sqrt{T})$ convergence. Empirical results show that SAIF computes highly imperceptible and interpretable adversarial examples, and outperforms state-of-the-art sparse attack methods on the ImageNet dataset.

Energy management systems (EMS) are becoming increasingly important in order to utilize the continuously growing curtailed renewable energy. Promising energy storage systems (ESS), such as batteries and green hydrogen should be employed to maximize the efficiency of energy stakeholders. However, optimal decision-making, i.e., planning the leveraging between different strategies, is confronted with the complexity and uncertainties of large-scale problems. Here, we propose a sophisticated deep reinforcement learning (DRL) methodology with a policy-based algorithm to realize the real-time optimal ESS planning under the curtailed renewable energy uncertainty. A quantitative performance comparison proved that the DRL agent outperforms the scenario-based stochastic optimization (SO) algorithm, even with a wide action and observation space. Owing to the uncertainty rejection capability of the DRL, we could confirm a robust performance, under a large uncertainty of the curtailed renewable energy, with a maximizing net profit and stable system. Action-mapping was performed for visually assessing the action taken by the DRL agent according to the state. The corresponding results confirmed that the DRL agent learns the way like what a human expert would do, suggesting reliable application of the proposed methodology.

Understanding the ambient scene is imperative for several applications such as autonomous driving and navigation. While obtaining real-world image data with per-pixel labels is challenging, existing accurate synthetic image datasets primarily focus on indoor spaces with fixed lighting and scene participants, thereby severely limiting their application to outdoor scenarios. In this work we introduce OmniHorizon, a synthetic dataset with 24,335 omnidirectional views comprising of a broad range of indoor and outdoor spaces consisting of buildings, streets, and diverse vegetation. Our dataset also accounts for dynamic scene components including lighting, different times of a day settings, pedestrians, and vehicles. Furthermore, we also demonstrate a learned synthetic-to-real cross-domain inference method for in-the-wild 3D scene depth and normal estimation method using our dataset. To this end, we propose UBotNet, an architecture based on a UNet and a Bottleneck Transformer, to estimate scene-consistent normals. We show that UBotNet achieves significantly improved depth accuracy (4.6%) and normal estimation (5.75%) compared to several existing networks such as U-Net with skip-connections. Finally, we demonstrate in-the-wild depth and normal estimation on real-world images with UBotNet trained purely on our OmniHorizon dataset, showing the promise of proposed dataset and network for scene understanding.

Artificial intelligence (AI) has enormous potential to improve Air Force pilot training by providing actionable feedback to pilot trainees on the quality of their maneuvers and enabling instructor-less flying familiarization for early-stage trainees in low-cost simulators. Historically, AI challenges consisting of data, problem descriptions, and example code have been critical to fueling AI breakthroughs. The Department of the Air Force-Massachusetts Institute of Technology AI Accelerator (DAF-MIT AI Accelerator) developed such an AI challenge using real-world Air Force flight simulator data. The Maneuver ID challenge assembled thousands of virtual reality simulator flight recordings collected by actual Air Force student pilots at Pilot Training Next (PTN). This dataset has been publicly released at Maneuver-ID.mit.edu and represents the first of its kind public release of USAF flight training data. Using this dataset, we have applied a variety of AI methods to separate "good" vs "bad" simulator data and categorize and characterize maneuvers. These data, algorithms, and software are being released as baselines of model performance for others to build upon to enable the AI ecosystem for flight simulator training.

Medical treatments tailored to a patient's baseline characteristics hold the potential of improving patient outcomes while reducing negative side effects. Learning individualized treatment rules (ITRs) often requires aggregation of multiple datasets(sites); however, current ITR methodology does not take between-site heterogeneity into account, which can hurt model generalizability when deploying back to each site. To address this problem, we develop a method for individual-level meta-analysis of ITRs, which jointly learns site-specific ITRs while borrowing information about feature sign-coherency via a scientifically-motivated directionality principle. We also develop an adaptive procedure for model tuning, using information criteria tailored to the ITR learning problem. We study the proposed methods through numerical experiments to understand their performance under different levels of between-site heterogeneity and apply the methodology to estimate ITRs in a large multi-center database of electronic health records. This work extends several popular methodologies for estimating ITRs (A-learning, weighted learning) to the multiple-sites setting.