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BLoB: Bayesian Low-Rank Adaptation by Backpropagation for Large Language Models

Neural Information Processing Systems

Large Language Models (LLMs) often suffer from overconfidence during inference, particularly when adapted to downstream domain-specific tasks with limited data. Previous work addresses this issue by employing approximate Bayesian estimation after the LLMs are trained, enabling them to quantify uncertainty. However, such post-training approaches' performance is severely limited by the parameters learned during training. In this paper, we go beyond post-training Bayesianization and propose Bayesian Low-Rank Adaptation by Backpropagation (BLoB), an algorithm that continuously and jointly adjusts both the mean and covariance of LLM parameters throughout the whole fine-tuning process. Our empirical results verify the effectiveness of BLoB in terms of generalization and uncertainty estimation, when evaluated on both in-distribution and out-of-distribution data.


Do LLMs dream of elephants (when told not to)? Latent concept association and associative memory in transformers

Neural Information Processing Systems

Large Language Models (LLMs) have the capacity to store and recall facts. Through experimentation with open-source models, we observe that this ability to retrieve facts can be easily manipulated by changing contexts, even without altering their factual meanings. These findings highlight that LLMs might behave like an associative memory model where certain tokens in the contexts serve as clues to retrieving facts. We mathematically explore this property by studying how transformers, the building blocks of LLMs, can complete such memory tasks. We study a simple latent concept association problem with a one-layer transformer and we show theoretically and empirically that the transformer gathers information using self-attention and uses the value matrix for associative memory.


Beware of Road Markings: A New Adversarial Patch Attack to Monocular Depth Estimation

Neural Information Processing Systems

Monocular Depth Estimation (MDE) enables the prediction of scene depths from a single RGB image, having been widely integrated into production-grade autonomous driving systems, e.g., Tesla Autopilot. Current adversarial attacks to MDE models focus on attaching an optimized adversarial patch to a designated obstacle. Although effective, this approach presents two inherent limitations: its reliance on specific obstacles and its limited malicious impact. In contrast, we propose a pioneering attack to MDE models that \textit{decouples obstacles from patches physically and deploys optimized patches on roads}, thereby extending the attack scope to arbitrary traffic participants. This approach is inspired by our groundbreaking discovery: \textit{various MDE models with different architectures, trained for autonomous driving, heavily rely on road regions} when predicting depths for different obstacles. Based on this discovery, we design the Adversarial Road Marking (AdvRM) attack, which camouflages patches as ordinary road markings and deploys them on roads, thereby posing a continuous threat within the environment. Experimental results from both dataset simulations and real-world scenarios demonstrate that AdvRM is effective, stealthy, and robust against various MDE models, achieving about 1.507 of Mean Relative Shift Ratio (MRSR) over 8 MDE models.


Subwords as Skills: Tokenization for Sparse-Reward Reinforcement Learning

Neural Information Processing Systems

Exploration in sparse-reward reinforcement learning (RL) is difficult due to the need for long, coordinated sequences of actions in order to achieve any reward. Skill learning, from demonstrations or interaction, is a promising approach to address this, but skill extraction and inference are expensive for current methods. We present a novel method to extract skills from demonstrations for use in sparse-reward RL, inspired by the popular Byte-Pair Encoding (BPE) algorithm in natural language processing. With these skills, we show strong performance in a variety of tasks, 1000$\times$ acceleration for skill-extraction and 100$\times$ acceleration for policy inference. Given the simplicity of our method, skills extracted from 1\% of the demonstrations in one task can be transferred to a new loosely related task. We also note that such a method yields a finite set of interpretable behaviors.


ACES: Generating a Diversity of Challenging Programming Puzzles with Autotelic Generative Models

Neural Information Processing Systems

The ability to invent novel and interesting problems is a remarkable feature of human intelligence that drives innovation, art, and science. We propose a method that aims to automate this process by harnessing the power of state-of-the-art generative models to produce a diversity of challenging yet solvable problems, here in the context of Python programming puzzles. Inspired by the intrinsically motivated literature, Autotelic CodE Search (ACES) jointly optimizes for the diversity and difficulty of generated problems. We represent problems in a space of LLM-generated semantic descriptors describing the programming skills required to solve them (e.g.


Zero-Shot Transfer of Neural ODEs

Neural Information Processing Systems

Autonomous systems often encounter environments and scenarios beyond the scope of their training data, which underscores a critical challenge: the need to generalize and adapt to unseen scenarios in real time. This challenge necessitates new mathematical and algorithmic tools that enable adaptation and zero-shot transfer. To this end, we leverage the theory of function encoders, which enables zero-shot transfer by combining the flexibility of neural networks with the mathematical principles of Hilbert spaces. Using this theory, we first present a method for learning a space of dynamics spanned by a set of neural ODE basis functions. After training, the proposed approach can rapidly identify dynamics in the learned space using an efficient inner product calculation. Critically, this calculation requires no gradient calculations or retraining during the online phase. This method enables zero-shot transfer for autonomous systems at runtime and opens the door for a new class of adaptable control algorithms. We demonstrate state-of-the-art system modeling accuracy for two MuJoCo robot environments and show that the learned models can be used for more efficient MPC control of a quadrotor.


Architect: Generating Vivid and Interactive 3D Scenes with Hierarchical 2D Inpainting

Neural Information Processing Systems

Creating large-scale interactive 3D environments is essential for the development of Robotics and Embodied AI research. However, generating diverse embodied environments with realistic detail and considerable complexity remains a significant challenge. Current methods, including manual design, procedural generation, diffusion-based scene generation, and large language model (LLM) guided scene design, are hindered by limitations such as excessive human effort, reliance on predefined rules or training datasets, and limited 3D spatial reasoning ability. Since pre-trained 2D image generative models better capture scene and object configuration than LLMs, we address these challenges by introducing $\textit{Architect}$, a generative framework that creates complex and realistic 3D embodied environments leveraging diffusion-based 2D image inpainting. In detail, we utilize foundation visual perception models to obtain each generated object from the image and leverage pre-trained depth estimation models to lift the generated 2D image to 3D space. While there are still challenges that the camera parameters and scale of depth are still absent in the generated image, we address those problems by ''controlling'' the diffusion model by $\textit{hierarchical inpainting}$.


Evidential Stochastic Differential Equations for Time-Aware Sequential Recommendation

Neural Information Processing Systems

Sequential recommender systems are designed to capture users' evolving interests over time. Existing methods typically assume a uniform time interval among consecutive user interactions and may not capture users' continuously evolving behavior in the short and long term. In reality, the actual time intervals of user interactions vary dramatically. Consequently, as the time interval between interactions increases, so does the uncertainty in user behavior. Intuitively, it is beneficial to establish a correlation between the interaction time interval and the model uncertainty to provide effective recommendations. To this end, we formulate a novel Evidential Neural Stochastic Differential Equation () to seamlessly integrate NSDE and evidential learning for effective time-aware sequential recommendations. The NSDE enables the model to learn users' fine-grained time-evolving behavior by capturing continuous user representation while evidential learning quantifies both aleatoric and epistemic uncertainties considering interaction time interval to provide model confidence during prediction. Furthermore, we derive a mathematical relationship between the interaction time interval and model uncertainty to guide the learning process. Experiments on real-world data demonstrate the effectiveness of the proposed method compared to the SOTA methods.


PACE: Pacing Operator Learning to Accurate Optical Field Simulation for Complicated Photonic Devices

Neural Information Processing Systems

Electromagnetic field simulation is central to designing, optimizing, and validating photonic devices and circuits. However, costly computation associated with numerical simulation poses a significant bottleneck, hindering scalability and turnaround time in the photonic circuit design process.Neural operators offer a promising alternative, but existing SOTA approaches, Neurolight, struggle with predicting high-fidelity fields for real-world complicated photonic devices, with the best reported 0.38 normalized mean absolute error in Neurolight.The interplays of highly complex light-matter interaction, e.g., scattering and resonance, sensitivity to local structure details, non-uniform learning complexity for full-domain simulation, and rich frequency information, contribute to the failure of existing neural PDE solvers.In this work, we boost the prediction fidelity to an unprecedented level for simulating complex photonic devices with a novel operator design driven by the above challenges.We propose a novel cross-axis factorized PACE operator with a strong long-distance modeling capacity to connect the full-domain complex field pattern with local device structures.Inspired by human learning, we further divide and conquer the simulation task for extremely hard cases into two progressively easy tasks, with a first-stage model learning an initial solution refined by a second model.On various complicated photonic device benchmarks, we demonstrate one sole PACE model is capable of achieving 73% lower error with 50% fewer parameters compared with various recent ML for PDE solvers.The two-stage setup further advances high-fidelity simulation for even more intricate cases.In terms of runtime, PACE demonstrates 154-577x and 11.8-12x simulation speedup over numerical solver using scipy or highly-optimized pardiso solver, respectively.We open-sourced the code and optical device dataset at PACE-Light .


GraphVis: Boosting LLMs with Visual Knowledge Graph Integration

Neural Information Processing Systems

The rapid evolution of large language models (LLMs) has expanded their capabilities across various data modalities, extending from well-established image data to increasingly popular graph data. Given the limitation of LLMs in hallucinations and inaccuracies in recalling factual knowledge, Knowledge Graph (KG) has emerged as a crucial data modality to support more accurate reasoning by LLMs. However, integrating structured knowledge from KGs into LLMs remains challenging, as most current KG-enhanced LLM methods directly convert the KG into linearized text triples, which is not as expressive as the original structured data. To address this, we introduce GraphVis, which conserves the intricate graph structure through the visual modality to enhance the comprehension of KGs with the aid of Large Vision Language Models (LVLMs). Our approach incorporates a unique curriculum fine-tuning scheme which first instructs LVLMs to recognize basic graphical features from the images, and subsequently incorporates reasoning on QA tasks with the visual graphs. This cross-modal methodology not only markedly enhances performance on standard textual QA but also shows improved zero-shot VQA performance by utilizing synthetic graph images to augment the data for VQA tasks. We present comprehensive evaluations across commonsense reasoning QA benchmarks, where GraphVis provides an average improvement of 11.1% over its base model and outperforms existing KG-enhanced LLM approaches. Across VQA benchmarks such as ScienceQA that share similar scientific diagram images, GraphVis provides a notable gain of 4.32%.