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The hallucination problem in multimodal large language models (MLLMs) remains a common issue. Although image tokens occupy a majority of the input sequence of MLLMs, there is limited research to explore the relationship between image tokens and hallucinations. In this paper, we analyze the distribution of attention scores for image tokens across each layer and head of the model, revealing an intriguing and common phenomenon: most hallucinations are closely linked to the pattern of attention sinks in the self-attention matrix of image tokens, where shallow layers exhibit dense attention sinks and deeper layers show sparse attention sinks. We further analyze the attention heads of different layers and find that heads with high-density attention sink in the image part play a positive role in alleviating hallucinations. In this paper, we propose a training-free method named \textcolor{red}{\textbf{E}}nhancing \textcolor{red}{\textbf{A}}ttention \textcolor{red}{\textbf{H}}eads (EAH), an approach designed to enhance the convergence of image tokens attention sinks in the shallow layers. EAH identifies the attention head that shows the vision sink in a shallow layer and extracts its attention matrix. This attention map is then broadcast to other heads in the layer, thereby strengthening the layer to pay more attention to the image itself. With extensive experiments, EAH shows significant hallucination-mitigating performance on different MLLMs and metrics, proving its effectiveness and generality.

Large language models (LMs) are typically adapted to improve performance on new contexts (\eg text prompts that define new tasks or domains) through fine-tuning or prompting. However, there is an accuracy compute tradeoff -- fine-tuning incurs significant training cost and prompting increases inference overhead. We introduce $GenerativeAdapter$, an effective and efficient adaptation method that directly maps new contexts to low-rank LM adapters, thereby significantly reducing inference overhead with no need for finetuning. The adapter generator is trained via self-supervised learning, and can be used to adapt a single frozen LM for any new task simply by mapping the associated task or domain context to a new adapter. We apply $GenerativeAdapter$ to two pretrained LMs (Mistral-7B-Instruct and Llama2-7B-Chat) and evaluate the adapted models in three adaption scenarios: knowledge acquisition from documents, learning from demonstrations, and personalization for users. In StreamingQA, our approach is effective in injecting knowledge into the LM's parameters, achieving a 63.5% improvement in F1 score over the model with supervised fine-tuning (from $19.5$ to $31.5$) for contexts as long as 32K tokens. In the MetaICL in-context learning evaluation, our method achieves an average accuracy of $44.9$ across 26 tasks, outperforming the base model. On MSC, our method proves to be highly competitive in memorizing user information from conversations with a 4x reduction in computation and memory costs compared to prompting with full conversation history. Together, these results suggest that $GenerativeAdapter$ should allow for general adaption to a wide range of different contexts.

In this paper, we present a novel algorithm for probabilistically updating and rasterizing semantic maps within 3D Gaussian Splatting (3D-GS). Although previous methods have introduced algorithms which learn to rasterize features in 3D-GS for enhanced scene understanding, 3D-GS can fail without warning which presents a challenge for safety-critical robotic applications. To address this gap, we propose a method which advances the literature of continuous semantic mapping from voxels to ellipsoids, combining the precise structure of 3D-GS with the ability to quantify uncertainty of probabilistic robotic maps. Given a set of images, our algorithm performs a probabilistic semantic update directly on the 3D ellipsoids to obtain an expectation and variance through the use of conjugate priors. We also propose a probabilistic rasterization which returns per-pixel segmentation predictions with quantifiable uncertainty. We compare our method with similar probabilistic voxel-based methods to verify our extension to 3D ellipsoids, and perform ablation studies on uncertainty quantification and temporal smoothing.

Deep Learning methods are notorious for relying on extensive labeled datasets to train and assess their performance. This can cause difficulties in practical situations where models should be trained for new applications for which very little data is available. While few-shot learning algorithms can address the first problem, they still lack sufficient explanations for the results. This research presents a workflow that tackles both challenges by proposing an explainable few-shot learning workflow for detecting invasive and exotic tree species in the Atlantic Forest of Brazil using Unmanned Aerial Vehicle (UAV) images. By integrating a Siamese network with explainable AI (XAI), the workflow enables the classification of tree species with minimal labeled data while providing visual, case-based explanations for the predictions. Results demonstrate the effectiveness of the proposed workflow in identifying new tree species, even in data-scarce conditions. With a lightweight backbone, e.g., MobileNet, it achieves a F1-score of 0.86 in 3-shot learning, outperforming a shallow CNN. A set of explanation metrics, i.e., correctness, continuity, and contrastivity, accompanied by visual cases, provide further insights about the prediction results. This approach opens new avenues for using AI and UAVs in forest management and biodiversity conservation, particularly concerning rare or under-studied species.

Recent research has shown that Large Language Models (LLMs) are vulnerable to automated jailbreak attacks, where adversarial suffixes crafted by algorithms appended to harmful queries bypass safety alignment and trigger unintended responses. Current methods for generating these suffixes are computationally expensive and have low Attack Success Rates (ASR), especially against well-aligned models like Llama2 and Llama3. To overcome these limitations, we introduce ADV-LLM, an iterative self-tuning process that crafts adversarial LLMs with enhanced jailbreak ability. Our framework significantly reduces the computational cost of generating adversarial suffixes while achieving nearly 100\% ASR on various open-source LLMs. Moreover, it exhibits strong attack transferability to closed-source models, achieving 99% ASR on GPT-3.5 and 49% ASR on GPT-4, despite being optimized solely on Llama3. Beyond improving jailbreak ability, ADV-LLM provides valuable insights for future safety alignment research through its ability to generate large datasets for studying LLM safety., Comment: 18 pages

In the field of automated programming, large language models (LLMs) have demonstrated foundational generative capabilities when given detailed task descriptions. However, their current functionalities are primarily limited to function-level development, restricting their effectiveness in complex project environments and specific application scenarios, such as complicated image-processing tasks. This paper presents a multi-agent framework that utilises a hybrid set of LLMs, including GPT-4o and locally deployed open-source models, which collaboratively complete auto-programming tasks. Each agent plays a distinct role in the software development cycle, collectively forming a virtual organisation that works together to produce software products. By establishing a tree-structured thought distribution and development mechanism across project, module, and function levels, this framework offers a cost-effective and efficient solution for code generation. We evaluated our approach using benchmark datasets, and the experimental results demonstrate that VisionCoder significantly outperforms existing methods in image processing auto-programming tasks.

Existing math datasets evaluate the reasoning abilities of large language models (LLMs) by either using the final answer or the intermediate reasoning steps derived from static examples. However, the former approach fails to surface model's uses of shortcuts and wrong reasoning while the later poses challenges in accommodating alternative solutions. In this work, we seek to use symbolic programs as a means for automated evaluation if a model can consistently produce correct final answers across various inputs to the program. We begin by extracting programs for popular math datasets (GSM8K and MATH) using GPT4-o. For those executable programs verified using the original input-output pairs, they are found to encapsulate the proper reasoning required to solve the original text questions. We then prompt GPT4-o to generate new questions using alternative input-output pairs based the extracted program. We apply the resulting datasets to evaluate a collection of LLMs. In our experiments, we observe significant accuracy drops using our proposed evaluation compared with original static examples, suggesting the fragility of math reasoning in state-of-the-art LLMs.

Large language models (LLMs) have demonstrated self-improvement capabilities via feedback and refinement, but current small language models (SLMs) have had limited success in this area. Existing correction approaches often rely on distilling knowledge from LLMs, which imposes significant computation demands. In this work, we introduce CORRECTIONLM, a novel correction framework that enables SLMs to self-correct using in-context exemplars without LLM involvement. Applied to two dialogue state tracking (DST) tasks in low-resource settings, CORRECTIONLM achieves results similar to a state-of-the-art LLM at a small fraction of the computation costs.

Channel resolvability concerns the minimum resolution for approximating the channel output. We study the resolvability of classical-quantum channels in two settings, for the channel output generated from the worst input, and form the fixed independent and identically distributed (i.i.d.) input. The direct part of the worst-input setting is derived from sequential hypothesis testing as it involves of non-i.i.d.~inputs. The strong converse of the worst-input setting is obtained via the connection to identification codes. For the fixed-input setting, while the direct part follows from the known quantum soft covering result, we exploit the recent alternative quantum Sanov theorem to solve the strong converse., Comment: 20 pages, 3 figures. Comments are welcome!

This paper presents a method for generating large-scale datasets to improve class-agnostic video segmentation across robots with different form factors. Specifically, we consider the question of whether video segmentation models trained on generic segmentation data could be more effective for particular robot platforms if robot embodiment is factored into the data generation process. To answer this question, a pipeline is formulated for using 3D reconstructions (e.g. from HM3DSem) to generate segmented videos that are configurable based on a robot's embodiment (e.g. sensor type, sensor placement, and illumination source). A resulting massive RGB-D video panoptic segmentation dataset (MVPd) is introduced for extensive benchmarking with foundation and video segmentation models, as well as to support embodiment-focused research in video segmentation. Our experimental findings demonstrate that using MVPd for finetuning can lead to performance improvements when transferring foundation models to certain robot embodiments, such as specific camera placements. These experiments also show that using 3D modalities (depth images and camera pose) can lead to improvements in video segmentation accuracy and consistency. The project webpage is available at https://topipari.com/projects/MVPd, Comment: Accepted in IEEE Robotics and Automation Letters October 2024

In 1927, during the fifth Solvay Conference, Einstein and Bohr described a double-slit interferometer with a "movable slit" that can detect the momentum recoil of one photon. Here, we report a faithful realization of the Einstein-Bohr interferometer using a single atom in an optical tweezer, cooled to the motional ground state in three dimensions. The single atom has an intrinsic momentum uncertainty comparable to a single photon, which serves as a movable slit obeying the minimum Heisenberg uncertainty principle. The atom's momentum wavefunction is dynamically tunable by the tweezer laser power, which enables observation of an interferometric visibility reduction at a shallower trap, demonstrating the quantum nature of this interferometer. We further identify classical noise due to atom heating and precession, illustrating a quantum-to-classical transition., Comment: 18 pages, 4 figures

3D object generation from a single image involves estimating the full 3D geometry and texture of unseen views from an unposed RGB image captured in the wild. Accurately reconstructing an object's complete 3D structure and texture has numerous applications in real-world scenarios, including robotic manipulation, grasping, 3D scene understanding, and AR/VR. Recent advancements in 3D object generation have introduced techniques that reconstruct an object's 3D shape and texture by optimizing the efficient representation of Gaussian Splatting, guided by pre-trained 2D or 3D diffusion models. However, a notable disparity exists between the training datasets of these models, leading to distinct differences in their outputs. While 2D models generate highly detailed visuals, they lack cross-view consistency in geometry and texture. In contrast, 3D models ensure consistency across different views but often result in overly smooth textures. We propose bridging the gap between 2D and 3D diffusion models to address this limitation by integrating a two-stage frequency-based distillation loss with Gaussian Splatting. Specifically, we leverage geometric priors in the low-frequency spectrum from a 3D diffusion model to maintain consistent geometry and use a 2D diffusion model to refine the fidelity and texture in the high-frequency spectrum of the generated 3D structure, resulting in more detailed and fine-grained outcomes. Our approach enhances geometric consistency and visual quality, outperforming the current SOTA. Additionally, we demonstrate the easy adaptability of our method for efficient object pose estimation and tracking.

The trade-offs between error probabilities in quantum hypothesis testing are by now well-understood in the centralized setting, but much less is known for distributed settings. Here, we study a distributed binary hypothesis testing problem to infer a bipartite quantum state shared between two remote parties, where one of these parties communicates classical information to the tester at zero-rate (while the other party communicates classical or quantum information to the tester at zero-rate or higher). As our main contribution, we derive an efficiently computable single-letter formula for the Stein's exponent of this problem, when the state under the alternative is product. For the general case, we show that the Stein's exponent is given by a multi-letter expression involving max-min optimization of regularized measured relative entropy. While this becomes single-letter for the fully classical case, we further prove that this already does not happen in the same way for classical-quantum states in general. As a key tool for proving the converse direction of our results, we develop a quantum version of the blowing-up lemma which may be of independent interest.

We determine the exact error and strong converse exponents of shared randomness-assisted channel simulation in worst case total-variation distance. Namely, we find that these exponents can be written as simple optimizations over the R\'enyi channel mutual information. Strikingly, and in stark contrast to channel coding, there are no critical rates, allowing a tight characterization for arbitrary rates below and above the simulation capacity. We derive our results by asymptotically expanding the meta-converse for channel simulation [Cao {\it et al.}, IEEE Trans.~Inf.~Theory (2024)], which corresponds to non-signaling assisted codes. We prove this to be asymptotically tight by employing the approximation algorithms from [Berta {\it et al.}, Proc.~IEEE ISIT (2024)], which show how to round any non-signaling assisted strategy to a strategy that only uses shared randomness. Notably, this implies that any additional quantum entanglement-assistance does not change the error or the strong converse exponents., Comment: 27+6 pages

Computer simulation platforms offer an alternative solution by emulating complex systems in a controlled manner. However, existing Edge Computing (EC) simulators, as well as general-purpose vehicular network simulators, are not tailored for VEC and lack dedicated support for modeling the distinct access pattern, entity mobility trajectory and other unique characteristics of VEC networks. To fill this gap, this paper proposes VEC-Sim, a versatile simulation platform for in-depth evaluation and analysis of various service caching and computation offloading policies in VEC networks. VEC-Sim incorporates realistic mechanisms to replicate real-world access patterns, including service feature vector, vehicle mobility modeling, evolving service popularity, new service upload and user preference shifts, etc. Moreover, its modular architecture and extensive Application Programming Interfaces (APIs) allow seamless integration of customized scheduling policies and user-defined metrics. A comprehensive evaluation of VEC-Sim's capabilities is undertaken in comparison to real-world ground truths. Results prove it to be accurate in reproducing classical scheduling algorithms and extremely effective in conducting case studies.

Quantum discord can demonstrate quantum nonlocality in the context of a semi-device-independent Bell or steering scenario, i.e., by assuming only the Hilbert-space dimension. This work addresses which aspect of bipartite coherence is essential to such semi-device-independent quantum information tasks going beyond standard Bell nonlocality or quantum steering. It has been shown that the global coherence of a single system can be transformed into bipartite entanglement. However, global coherence can also be present in quantum discord. At the same time, discord can display bipartite coherence locally, i.e., only in a subsystem or both subsystems. Thus, global coherence of bipartite separable states is defined here as a form of bipartite coherence that is not reducible to local coherence in any of the subsystems or both subsystems. To answer the above-mentioned question, we demonstrate that global coherence is necessary to demonstrate semi-device-independent nonlocality of quantum discord in Bell or steering scenarios. From this result, it follows that any local operations of the form $\Phi_A \otimes \Phi_B$ that may create coherence locally are free operations in the resource theory of semi-device-independent nonlocality of discord. As a byproduct, we identify the precise quantum resource for the quantum communication task of remote state preparation using two-qubit separable states., Comment: 12 pages, 4 figures

The Key-Value (KV) cache is a crucial component in serving transformer-based autoregressive large language models (LLMs), enabling faster inference by storing previously computed KV vectors. However, its memory consumption scales linearly with sequence length and batch size, posing a significant bottleneck in LLM deployment. Existing approaches to mitigate this issue include: (1) efficient attention variants integrated in upcycling stages, which requires extensive parameter tuning thus unsuitable for pre-trained LLMs; (2) KV cache compression at test time, primarily through token eviction policies, which often overlook inter-layer dependencies and can be task-specific. This paper introduces an orthogonal approach to KV cache compression. We propose a low-rank approximation of KV weight matrices, allowing for plug-in integration with existing transformer-based LLMs without model retraining. To effectively compress KV cache at the weight level, we adjust for layerwise sensitivity and introduce a progressive compression strategy, which is supported by our theoretical analysis on how compression errors accumulate in deep networks. Our method is designed to function without model tuning in upcycling stages or task-specific profiling in test stages. Extensive experiments with LLaMA models ranging from 8B to 70B parameters across various tasks show that our approach significantly reduces the GPU memory footprint while maintaining performance., Comment: 15 pages, 4 figures

Event-based cameras are attracting significant interest as they provide rich edge information, high dynamic range, and high temporal resolution. Many state-of-the-art event-based algorithms rely on splitting the events into fixed groups, resulting in the omission of crucial temporal information, particularly when dealing with diverse motion scenarios (\eg, high/low speed).In this work, we propose SpikeSlicer, a novel-designed plug-and-play event processing method capable of splitting events stream adaptively.SpikeSlicer utilizes a low-energy spiking neural network (SNN) to trigger event slicing. To guide the SNN to fire spikes at optimal time steps, we propose the Spiking Position-aware Loss (SPA-Loss) to modulate the neuron's state. Additionally, we develop a Feedback-Update training strategy that refines the slicing decisions using feedback from the downstream artificial neural network (ANN). Extensive experiments demonstrate that our method yields significant performance improvements in event-based object tracking and recognition. Notably, SpikeSlicer provides a brand-new SNN-ANN cooperation paradigm, where the SNN acts as an efficient, low-energy data processor to assist the ANN in improving downstream performance, injecting new perspectives and potential avenues of exploration., Comment: Accepted to NeurIPS 2024

Autonomous agents have demonstrated significant potential in automating complex multistep decision-making tasks. However, even state-of-the-art vision-language models (VLMs), such as GPT-4o, still fall short of human-level performance, particularly in intricate web environments and long-horizon tasks. To address these limitations, we present ExACT, an approach to combine test-time search and self-learning to build o1-like models for agentic applications. We first introduce Reflective Monte Carlo Tree Search (R-MCTS), a novel test time algorithm designed to enhance AI agents' ability to explore decision space on the fly. R-MCTS extends traditional MCTS by 1) incorporating contrastive reflection, allowing agents to learn from past interactions and dynamically improve their search efficiency; and 2) using multi-agent debate for reliable state evaluation. Next, we introduce Exploratory Learning, a novel learning strategy to teach agents to search at inference time without relying on any external search algorithms. On the challenging VisualWebArena benchmark, our GPT-4o based R-MCTS agent achieves a 6% to 30% relative improvement across various tasks compared to the previous state-of-the-art. Additionally, we show that the knowledge and experience gained from test-time search can be effectively transferred back to GPT-4o via fine-tuning. After Exploratory Learning, GPT-4o 1) demonstrates the ability to explore the environment, evaluate a state, and backtrack to viable ones when it detects that the current state cannot lead to success, and 2) matches 87% of R-MCTS's performance while using significantly less compute. Notably, our work demonstrates the compute scaling properties in both training - data collection with R-MCTS - and testing time. These results suggest a promising research direction to enhance VLMs' capabilities for agentic applications via test-time search and self-learning.

Parameter-efficient transfer learning (PETL) has attracted significant attention lately, due to the increasing size of pre-trained models and the need to fine-tune (FT) them for superior downstream performance. This community-wide enthusiasm has sparked a plethora of approaches. Nevertheless, a systematic study to understand their performance and suitable application scenarios is lacking, leaving questions like when to apply PETL and which approach to use largely unanswered. In this paper, we conduct a unifying empirical study of representative PETL methods in the context of Vision Transformers. We systematically tune their hyper-parameters to fairly compare their accuracy on downstream tasks. Our study not only offers a valuable user guide but also unveils several new insights. First, if tuned carefully, different PETL methods can obtain similar accuracy in the low-shot benchmark VTAB-1K. This includes simple methods like FT the bias terms that were reported inferior. Second, though with similar accuracy, we find that PETL methods make different mistakes and high-confidence predictions, likely due to their different inductive biases. Such an inconsistency (or complementariness) opens up the opportunity for ensemble methods, and we make preliminary attempts at this. Third, going beyond the commonly used low-shot tasks, we find that PETL is also useful in many-shot regimes -- it achieves comparable and sometimes better accuracy than full FT, using much fewer learnable parameters. Last but not least, we investigate PETL's ability to preserve a pre-trained model's robustness to distribution shifts (e.g., a CLIP backbone). Perhaps not surprisingly, PETL methods outperform full FT alone. However, with weight-space ensembles, the fully fine-tuned model can better balance target (i.e., downstream) distribution and distribution shift performance, suggesting a future research direction for PETL., Comment: Code is available at https://github.com/OSU-MLB/PETL_Vision

Fine-tuning is arguably the most straightforward way to tailor a pre-trained model (e.g., a foundation model) to downstream applications, but it also comes with the risk of losing valuable knowledge the model had learned in pre-training. For example, fine-tuning a pre-trained classifier capable of recognizing a large number of classes to master a subset of classes at hand is shown to drastically degrade the model's accuracy in the other classes it had previously learned. As such, it is hard to further use the fine-tuned model when it encounters classes beyond the fine-tuning data. In this paper, we systematically dissect the issue, aiming to answer the fundamental question, "What has been damaged in the fine-tuned model?" To our surprise, we find that the fine-tuned model neither forgets the relationship among the other classes nor degrades the features to recognize these classes. Instead, the fine-tuned model often produces more discriminative features for these other classes, even if they were missing during fine-tuning! {What really hurts the accuracy is the discrepant logit scales between the fine-tuning classes and the other classes}, implying that a simple post-processing calibration would bring back the pre-trained model's capability and at the same time unveil the feature improvement over all classes. We conduct an extensive empirical study to demonstrate the robustness of our findings and provide preliminary explanations underlying them, suggesting new directions for future theoretical analysis. Our code is available at https://github.com/OSU-MLB/Fine-Tuning-Is-Fine-If-Calibrated., Comment: The paper has been accepted to NeurIPS 2024. The first three authors contribute equally

In this work, we consider decoupling a bipartite quantum state via a general quantum channel. We propose a joint state-channel decoupling approach to obtain a one-shot error exponent bound without smoothing, in which trace distance is used to measure how good the decoupling is. The established exponent is expressed in terms of a sum of two sandwiched R{\'e}nyi entropies, one quantifying the amount of initial correlation between the state and environment, while the other characterizing the effectiveness of the quantum channel. This gives an explicit exponential decay of the decoupling error in the whole achievable region, which was missing in the previous results [Commun. Math. Phys. 328, 2014]. Moreover, it strengthens the error exponent bound obtained in a recent work [IEEE Trans. Inf. Theory, 69(12), 2023], for exponent from the channel part. As an application, we establish a one-shot error exponent bound for quantum channel coding given by a sandwiched R\'enyi coherent information., Comment: 25 pages, 2 figures. Presented in QIP 2023. Comments are very welcome

Plastic pollution presents an escalating global issue, impacting health and environmental systems, with micro- and nanoplastics found across mediums from potable water to air. Traditional methods for studying these contaminants are labor-intensive and time-consuming, necessitating a shift towards more efficient technologies. In response, this paper introduces micro- and nanoplastics (MiNa), a novel and open-source dataset engineered for the automatic detection and classification of micro and nanoplastics using object detection algorithms. The dataset, comprising scanning electron microscopy images simulated under realistic aquatic conditions, categorizes plastics by polymer type across a broad size spectrum. We demonstrate the application of state-of-the-art detection algorithms on MiNa, assessing their effectiveness and identifying the unique challenges and potential of each method. The dataset not only fills a critical gap in available resources for microplastic research but also provides a robust foundation for future advancements in the field.

Recently, driven by advancements in Multimodal Large Language Models (MLLMs), Vision Language Action Models (VLAMs) are being proposed to achieve better performance in open-vocabulary scenarios for robotic manipulation tasks. Since manipulation tasks involve direct interaction with the physical world, ensuring robustness and safety during the execution of this task is always a very critical issue. In this paper, by synthesizing current safety research on MLLMs and the specific application scenarios of the manipulation task in the physical world, we comprehensively evaluate VLAMs in the face of potential physical threats. Specifically, we propose the Physical Vulnerability Evaluating Pipeline (PVEP) that can incorporate as many visual modal physical threats as possible for evaluating the physical robustness of VLAMs. The physical threats in PVEP specifically include Out-of-Distribution, Typography-based Visual Prompts, and Adversarial Patch Attacks. By comparing the performance fluctuations of VLAMs before and after being attacked, we provide generalizable Analyses of how VLAMs respond to different physical security threats. Our project page is in this link: https://chaducheng.github.io/Manipulat-Facing-Threats/.

Mixture-of-Experts (MoE) models scale more effectively than dense models due to sparse computation through expert routing, selectively activating only a small subset of expert modules. However, sparse computation challenges traditional training practices, as discrete expert routing hinders standard backpropagation and thus gradient-based optimization, which are the cornerstone of deep learning. To better pursue the scaling power of MoE, we introduce GRIN (GRadient-INformed MoE training), which incorporates sparse gradient estimation for expert routing and configures model parallelism to avoid token dropping. Applying GRIN to autoregressive language modeling, we develop a top-2 16$\times$3.8B MoE model. Our model, with only 6.6B activated parameters, outperforms a 7B dense model and matches the performance of a 14B dense model trained on the same data. Extensive evaluations across diverse tasks demonstrate the potential of GRIN to significantly enhance MoE efficacy, achieving 79.4 on MMLU, 83.7 on HellaSwag, 74.4 on HumanEval, and 58.9 on MATH., Comment: 58 pages

Reliable photo-nuclear reaction rates at the stellar conditions are essential to understand the origin of the heavy stable neutron-deficient isotopes between $^{74}$Se and $^{196}$Hg-p-nuclei, however, many reaction rates of relevance still have to rely on the Hauser-Feshbach model due to rare experimental progress. One such case is in the mass range of 160 for Dy, Er, Ho and Tm isotopes. In this work we attempt to constrain the Hauser-Feshbach model in the TALYS package by reproducing the available experimental data of $^{160}$Dy($p,\gamma$)$^{161}$Ho and $^{162}$Er($p,\gamma$)$^{163}$Tm in the $A\sim 160$ mass region, and examine the effects of level density, gamma strength function and the optical model potential. The constrained model then allows us to calculate the reaction rates of $^{157, 159}$Ho($\gamma$, $p$) and $^{163,165}$Tm($\gamma$, $p$) for the $\gamma$-process nucleosynthesis in carbon-deflagration SNe Ia model. Our recommended rates differ from the JINA REACLIB by more than 1 order of magnitude in the temperature range of 2-3 GK. This results in the changes of final abundance of $p$-nuclei in the $A\sim 160$ mass range by -5.5-3\% from those with JINA, which means that the ($\gamma$, $p$) reactions uncertainty is not predominant for the synthesis of these nuclei., Comment: 12 pages,7 figures

Large language models (LLMs) have demonstrated remarkable performance across various real-world tasks. However, they often struggle to fully comprehend and effectively utilize their input contexts, resulting in responses that are unfaithful or hallucinated. This difficulty increases for contexts that are long or contain distracting information, which can divert LLMs from fully capturing essential evidence. To address this issue, many works use prompting to help LLMs utilize contextual information more faithfully. For instance, iterative prompting highlights key information in two steps that first ask the LLM to identify important pieces of context and then derive answers accordingly. However, prompting methods are constrained to highlighting key information implicitly in token space, which is often insufficient to fully steer the model's attention. To improve model faithfulness more reliably, we propose AutoPASTA, a method that automatically identifies key contextual information and explicitly highlights it by steering an LLM's attention scores. Like prompting, AutoPASTA is applied at inference time and does not require changing any model parameters. Our experiments on open-book QA demonstrate that AutoPASTA effectively enables models to grasp essential contextual information, leading to substantially improved model faithfulness and performance, e.g., an average improvement of 7.95% for LLAMA3-70B-Instruct. Code will be publicly available at https://github.com/QingruZhang/AutoPASTA ., Comment: 12 pages, 4 figures

Diffusion models have been widely employed in the field of 3D manipulation due to their efficient capability to learn distributions, allowing for precise prediction of action trajectories. However, diffusion models typically rely on large parameter UNet backbones as policy networks, which can be challenging to deploy on resource-constrained devices. Recently, the Mamba model has emerged as a promising solution for efficient modeling, offering low computational complexity and strong performance in sequence modeling. In this work, we propose the Mamba Policy, a lighter but stronger policy that reduces the parameter count by over 80% compared to the original policy network while achieving superior performance. Specifically, we introduce the XMamba Block, which effectively integrates input information with conditional features and leverages a combination of Mamba and Attention mechanisms for deep feature extraction. Extensive experiments demonstrate that the Mamba Policy excels on the Adroit, Dexart, and MetaWorld datasets, requiring significantly fewer computational resources. Additionally, we highlight the Mamba Policy's enhanced robustness in long-horizon scenarios compared to baseline methods and explore the performance of various Mamba variants within the Mamba Policy framework. Our project page is in https://andycao1125.github.io/mamba_policy/., Comment: 7 pages, 5 figures

Consider the problems of computing the Augustin information and a R\'{e}nyi information measure of statistical independence, previously explored by Lapidoth and Pfister (IEEE Information Theory Workshop, 2018) and Tomamichel and Hayashi (IEEE Trans. Inf. Theory, 64(2):1064--1082, 2018). Both quantities are defined as solutions to optimization problems and lack closed-form expressions. This paper analyzes two iterative algorithms: Augustin's fixed-point iteration for computing the Augustin information, and the algorithm by Kamatsuka et al. (arXiv:2404.10950) for the R\'{e}nyi information measure. Previously, it was only known that these algorithms converge asymptotically. We establish the linear convergence of Augustin's algorithm for the Augustin information of order $\alpha \in (1/2, 1) \cup (1, 3/2)$ and Kamatsuka et al.'s algorithm for the R\'{e}nyi information measure of order $\alpha \in [1/2, 1) \cup (1, \infty)$, using Hilbert's projective metric., Comment: 15 pages, last sentence of the first paragraph and Eq. (2) corrected

Recent years have witnessed Spiking Neural Networks (SNNs) gaining attention for their ultra-low energy consumption and high biological plausibility compared with traditional Artificial Neural Networks (ANNs). Despite their distinguished properties, the application of SNNs in the computationally intensive field of image generation is still under exploration. In this paper, we propose the Spiking Diffusion Models (SDMs), an innovative family of SNN-based generative models that excel in producing high-quality samples with significantly reduced energy consumption. In particular, we propose a Temporal-wise Spiking Mechanism (TSM) that allows SNNs to capture more temporal features from a bio-plasticity perspective. In addition, we propose a threshold-guided strategy that can further improve the performances by up to 16.7% without any additional training. We also make the first attempt to use the ANN-SNN approach for SNN-based generation tasks. Extensive experimental results reveal that our approach not only exhibits comparable performance to its ANN counterpart with few spiking time steps, but also outperforms previous SNN-based generative models by a large margin. Moreover, we also demonstrate the high-quality generation ability of SDM on large-scale datasets, e.g., LSUN bedroom. This development marks a pivotal advancement in the capabilities of SNN-based generation, paving the way for future research avenues to realize low-energy and low-latency generative applications. Our code is available at https://github.com/AndyCao1125/SDM., Comment: Accepted by IEEE Transactions on Artificial Intelligence

This paper introduces a robust unsupervised SE(3) point cloud registration method that operates without requiring point correspondences. The method frames point clouds as functions in a reproducing kernel Hilbert space (RKHS), leveraging SE(3)-equivariant features for direct feature space registration. A novel RKHS distance metric is proposed, offering reliable performance amidst noise, outliers, and asymmetrical data. An unsupervised training approach is introduced to effectively handle limited ground truth data, facilitating adaptation to real datasets. The proposed method outperforms classical and supervised methods in terms of registration accuracy on both synthetic (ModelNet40) and real-world (ETH3D) noisy, outlier-rich datasets. To our best knowledge, this marks the first instance of successful real RGB-D odometry data registration using an equivariant method. The code is available at {https://sites.google.com/view/eccv24-equivalign}, Comment: 10 pages, to be published in ECCV 2024

We present a new algorithm, Cross-Source-Context Place Recognition (CSCPR), for RGB-D indoor place recognition that integrates global retrieval and reranking into a single end-to-end model. Unlike prior approaches that primarily focus on the RGB domain, CSCPR is designed to handle the RGB-D data. We extend the Context-of-Clusters (CoCs) for handling noisy colorized point clouds and introduce two novel modules for reranking: the Self-Context Cluster (SCC) and Cross Source Context Cluster (CSCC), which enhance feature representation and match query-database pairs based on local features, respectively. We also present two new datasets, ScanNetIPR and ARKitIPR. Our experiments demonstrate that CSCPR significantly outperforms state-of-the-art models on these datasets by at least 36.5% in Recall@1 at ScanNet-PR dataset and 44% in new datasets. Code and datasets will be released.

Text-to-music models allow users to generate nearly realistic musical audio with textual commands. However, editing music audios remains challenging due to the conflicting desiderata of performing fine-grained alterations on the audio while maintaining a simple user interface. To address this challenge, we propose Audio Prompt Adapter (or AP-Adapter), a lightweight addition to pretrained text-to-music models. We utilize AudioMAE to extract features from the input audio, and construct attention-based adapters to feedthese features into the internal layers of AudioLDM2, a diffusion-based text-to-music model. With 22M trainable parameters, AP-Adapter empowers users to harness both global (e.g., genre and timbre) and local (e.g., melody) aspects of music, using the original audio and a short text as inputs. Through objective and subjective studies, we evaluate AP-Adapter on three tasks: timbre transfer, genre transfer, and accompaniment generation. Additionally, we demonstrate its effectiveness on out-of-domain audios containing unseen instruments during training., Comment: Accepted by the 25th International Society for Music Information Retrieval (ISMIR)

Existing text-to-music models can produce high-quality audio with great diversity. However, textual prompts alone cannot precisely control temporal musical features such as chords and rhythm of the generated music. To address this challenge, we introduce MusiConGen, a temporally-conditioned Transformer-based text-to-music model that builds upon the pretrained MusicGen framework. Our innovation lies in an efficient finetuning mechanism, tailored for consumer-grade GPUs, that integrates automatically-extracted rhythm and chords as the condition signal. During inference, the condition can either be musical features extracted from a reference audio signal, or be user-defined symbolic chord sequence, BPM, and textual prompts. Our performance evaluation on two datasets -- one derived from extracted features and the other from user-created inputs -- demonstrates that MusiConGen can generate realistic backing track music that aligns well with the specified conditions. We open-source the code and model checkpoints, and provide audio examples online, https://musicongen.github.io/musicongen_demo/., Comment: Accepted by the 25th International Society for Music Information Retrieval (ISMIR)

Polygonal building outlines are crucial for geographic and cartographic applications. The existing approaches for outline extraction from aerial or satellite imagery are typically decomposed into subtasks, e.g., building masking and vectorization, or treat this task as a sequence-to-sequence prediction of ordered vertices. The former lacks efficiency, and the latter often generates redundant vertices, both resulting in suboptimal performance. To handle these issues, we propose a novel Region-of-Interest (RoI) query-based approach called RoIPoly. Specifically, we formulate each vertex as a query and constrain the query attention on the most relevant regions of a potential building, yielding reduced computational overhead and more efficient vertex level interaction. Moreover, we introduce a novel learnable logit embedding to facilitate vertex classification on the attention map; thus, no post-processing is needed for redundant vertex removal. We evaluated our method on the vectorized building outline extraction dataset CrowdAI and the 2D floorplan reconstruction dataset Structured3D. On the CrowdAI dataset, RoIPoly with a ResNet50 backbone outperforms existing methods with the same or better backbones on most MS-COCO metrics, especially on small buildings, and achieves competitive results in polygon quality and vertex redundancy without any post-processing. On the Structured3D dataset, our method achieves the second-best performance on most metrics among existing methods dedicated to 2D floorplan reconstruction, demonstrating our cross-domain generalization capability. The code will be released upon acceptance of this paper.

Sparse RGBD scene completion is a challenging task especially when considering consistent textures and geometries throughout the entire scene. Different from existing solutions that rely on human-designed text prompts or predefined camera trajectories, we propose GenRC, an automated training-free pipeline to complete a room-scale 3D mesh with high-fidelity textures. To achieve this, we first project the sparse RGBD images to a highly incomplete 3D mesh. Instead of iteratively generating novel views to fill in the void, we utilized our proposed E-Diffusion to generate a view-consistent panoramic RGBD image which ensures global geometry and appearance consistency. Furthermore, we maintain the input-output scene stylistic consistency through textual inversion to replace human-designed text prompts. To bridge the domain gap among datasets, E-Diffusion leverages models trained on large-scale datasets to generate diverse appearances. GenRC outperforms state-of-the-art methods under most appearance and geometric metrics on ScanNet and ARKitScenes datasets, even though GenRC is not trained on these datasets nor using predefined camera trajectories. Project page: https://minfenli.github.io/GenRC, Comment: ECCV 2024

By increasing model parameters but activating them sparsely when performing a task, the use of Mixture-of-Experts (MoE) architecture significantly improves the performance of Large Language Models (LLMs) without increasing the inference cost. However, the memory consumption due to the growing number of experts presents a challenge to the deployment of these models in many real world settings. Our empirical study reveals that some experts encode redundant knowledge during pre-training. We thus propose a method of grouping and pruning similar experts to improve the model's parameter efficiency. We validate the effectiveness of our method by pruning three state-of-the-art MoE architectures, including Mixtral, Deepseek-MoE, and Qwen. The evaluation shows that our method outperforms other model pruning methods on a range of natural language tasks. We will release our code to facilitate future research., Comment: 13 pages, 6 figures

Recent proposed neural network-based Temporal Action Detection (TAD) models are inherently limited to extracting the discriminative representations and modeling action instances with various lengths from complex scenes by shared-weights detection heads. Inspired by the successes in dynamic neural networks, in this paper, we build a novel dynamic feature aggregation (DFA) module that can simultaneously adapt kernel weights and receptive fields at different timestamps. Based on DFA, the proposed dynamic encoder layer aggregates the temporal features within the action time ranges and guarantees the discriminability of the extracted representations. Moreover, using DFA helps to develop a Dynamic TAD head (DyHead), which adaptively aggregates the multi-scale features with adjusted parameters and learned receptive fields better to detect the action instances with diverse ranges from videos. With the proposed encoder layer and DyHead, a new dynamic TAD model, DyFADet, achieves promising performance on a series of challenging TAD benchmarks, including HACS-Segment, THUMOS14, ActivityNet-1.3, Epic-Kitchen 100, Ego4D-Moment QueriesV1.0, and FineAction. Code is released to https://github.com/yangle15/DyFADet-pytorch., Comment: ECCV 2024

Quantum state discrimination is an important problem in many information processing tasks. In this work we are concerned with finding its best possible sample complexity when the states are preprocessed by a quantum channel that is required to be locally differentially private. To that end we provide achievability and converse bounds for different settings. This includes symmetric state discrimination in various regimes and the asymmetric case. On the way, we also prove new sample complexity bounds for the general unconstrained setting. An important tool in this endeavor are new entropy inequalities that we believe to be of independent interest., Comment: 24 pages. Short version accepted at ISIT 2024. This work is independent and concurrent to "Contraction of Private Quantum Channels and Private Quantum Hypothesis Testing" by Theshani Nuradha and Mark M. Wilde

Interactive image segmentation enables users to interact minimally with a machine, facilitating the gradual refinement of the segmentation mask for a target of interest. Previous studies have demonstrated impressive performance in extracting a single target mask through interactive segmentation. However, the information cues of previously interacted objects have been overlooked in the existing methods, which can be further explored to speed up interactive segmentation for multiple targets in the same category. To this end, we introduce novel interactive segmentation frameworks for both a single object and multiple objects in the same category. Specifically, our model leverages transformer backbones to extract interaction-focused visual features from the image and the interactions to obtain a satisfactory mask of a target as an exemplar. For multiple objects, we propose an exemplar-informed module to enhance the learning of similarities among the objects of the target category. To combine attended features from different modules, we incorporate cross-attention blocks followed by a feature fusion module. Experiments conducted on mainstream benchmarks demonstrate that our models achieve superior performance compared to previous methods. Particularly, our model reduces users' labor by around 15\%, requiring two fewer clicks to achieve target IoUs 85\% and 90\%. The results highlight our models' potential as a flexible and practical annotation tool. The source code will be released after publication., Comment: Under review

Large-scale pretrained vision-language models like CLIP have demonstrated remarkable zero-shot image classification capabilities across diverse domains. To enhance CLIP's performance while preserving the zero-shot paradigm, various test-time prompt tuning methods have been introduced to refine class embeddings through unsupervised learning objectives during inference. However, these methods often encounter challenges in selecting appropriate learning rates to prevent collapsed training in the absence of validation data during test-time adaptation. In this study, we propose a novel backpropagation-free algorithm BaFTA for test-time adaptation of vision-language models. Instead of fine-tuning text prompts to refine class embeddings, our approach directly estimates class centroids using online clustering within a projected embedding space that aligns text and visual embeddings. We dynamically aggregate predictions from both estimated and original class embeddings, as well as from distinct augmented views, by assessing the reliability of each prediction using R\'enyi Entropy. Through extensive experiments, we demonstrate that BaFTA consistently outperforms state-of-the-art test-time adaptation methods in both effectiveness and efficiency., Comment: Preprint updated from our earlier manuscript submitted to ICLR 2024 (https://openreview.net/forum?id=KNtcoAM5Gy)

Robotic blimps, as lighter-than-air aerial systems, offer prolonged duration and enhanced safety in human-robot interactions due to their buoyant lift. However, robust flight against environmental airflow disturbances remains a significant challenge, limiting the broader application of these robots. Drawing inspiration from the flight mechanics of birds and their ability to perch against natural wind, this article introduces RGBlimp-Q, a robotic gliding blimp equipped with a bird-inspired continuum arm. This arm allows for flexible attitude adjustments through moving mass control to enhance disturbance resilience, while also enabling object capture by using claws to counteract environmental disturbances, similar to a bird. This article presents the design, modeling, and prototyping of RGBlimp-Q, thus extending the advantages of robotic blimps to more complex environments. To the best of the authors' knowledge, this is the first interdisciplinary design integrating continuum mechanisms onto robotic blimps. Experimental results from both indoor and outdoor settings validate the improved flight robustness against environmental disturbances offered by this novel design.

Generating safety-critical scenarios, which are essential yet difficult to collect at scale, offers an effective method to evaluate the robustness of autonomous vehicles (AVs). Existing methods focus on optimizing adversariality while preserving the naturalness of scenarios, aiming to achieve a balance through data-driven approaches. However, without an appropriate upper bound for adversariality, the scenarios might exhibit excessive adversariality, potentially leading to unavoidable collisions. In this paper, we introduce FREA, a novel safety-critical scenarios generation method that incorporates the Largest Feasible Region (LFR) of AV as guidance to ensure the reasonableness of the adversarial scenarios. Concretely, FREA initially pre-calculates the LFR of AV from offline datasets. Subsequently, it learns a reasonable adversarial policy that controls the scene's critical background vehicles (CBVs) to generate adversarial yet AV-feasible scenarios by maximizing a novel feasibility-dependent adversarial objective function. Extensive experiments illustrate that FREA can effectively generate safety-critical scenarios, yielding considerable near-miss events while ensuring AV's feasibility. Generalization analysis also confirms the robustness of FREA in AV testing across various surrogate AV methods and traffic environments., Comment: Accepted by CoRL 2024

Sequential modeling has demonstrated remarkable capabilities in offline reinforcement learning (RL), with Decision Transformer (DT) being one of the most notable representatives, achieving significant success. However, RL trajectories possess unique properties to be distinguished from the conventional sequence (e.g., text or audio): (1) local correlation, where the next states in RL are theoretically determined solely by current states and actions based on the Markov Decision Process (MDP), and (2) global correlation, where each step's features are related to long-term historical information due to the time-continuous nature of trajectories. In this paper, we propose a novel action sequence predictor, named Mamba Decision Maker (MambaDM), where Mamba is expected to be a promising alternative for sequence modeling paradigms, owing to its efficient modeling of multi-scale dependencies. In particular, we introduce a novel mixer module that proficiently extracts and integrates both global and local features of the input sequence, effectively capturing interrelationships in RL datasets. Extensive experiments demonstrate that MambaDM achieves state-of-the-art performance in Atari and OpenAI Gym datasets. Furthermore, we empirically investigate the scaling laws of MambaDM, finding that increasing model size does not bring performance improvement, but scaling the dataset amount by 2x for MambaDM can obtain up to 33.7% score improvement on Atari dataset. This paper delves into the sequence modeling capabilities of MambaDM in the RL domain, paving the way for future advancements in robust and efficient decision-making systems., Comment: 8 pages, 4 figures

Generative Flow Networks (GFlowNets), a new family of probabilistic samplers, have recently emerged as a promising framework for learning stochastic policies that generate high-quality and diverse objects proportionally to their rewards. However, existing GFlowNets often suffer from low data efficiency due to the direct parameterization of edge flows or reliance on backward policies that may struggle to scale up to large action spaces. In this paper, we introduce Bifurcated GFlowNets (BN), a novel approach that employs a bifurcated architecture to factorize the flows into separate representations for state flows and edge-based flow allocation. This factorization enables BN to learn more efficiently from data and better handle large-scale problems while maintaining the convergence guarantee. Through extensive experiments on standard evaluation benchmarks, we demonstrate that BN significantly improves learning efficiency and effectiveness compared to strong baselines.

Generative models hold great promise for small molecule discovery, significantly increasing the size of search space compared to traditional in silico screening libraries. However, most existing machine learning methods for small molecule generation suffer from poor synthesizability of candidate compounds, making experimental validation difficult. In this paper we propose Reaction-GFlowNet (RGFN), an extension of the GFlowNet framework that operates directly in the space of chemical reactions, thereby allowing out-of-the-box synthesizability while maintaining comparable quality of generated candidates. We demonstrate that with the proposed set of reactions and building blocks, it is possible to obtain a search space of molecules orders of magnitude larger than existing screening libraries coupled with low cost of synthesis. We also show that the approach scales to very large fragment libraries, further increasing the number of potential molecules. We demonstrate the effectiveness of the proposed approach across a range of oracle models, including pretrained proxy models and GPU-accelerated docking.

Proteins are essential for almost all biological processes and derive their diverse functions from complex 3D structures, which are in turn determined by their amino acid sequences. In this paper, we exploit the rich biological inductive bias of amino acid sequences and introduce FoldFlow-2, a novel sequence-conditioned SE(3)-equivariant flow matching model for protein structure generation. FoldFlow-2 presents substantial new architectural features over the previous FoldFlow family of models including a protein large language model to encode sequence, a new multi-modal fusion trunk that combines structure and sequence representations, and a geometric transformer based decoder. To increase diversity and novelty of generated samples -- crucial for de-novo drug design -- we train FoldFlow-2 at scale on a new dataset that is an order of magnitude larger than PDB datasets of prior works, containing both known proteins in PDB and high-quality synthetic structures achieved through filtering. We further demonstrate the ability to align FoldFlow-2 to arbitrary rewards, e.g. increasing secondary structures diversity, by introducing a Reinforced Finetuning (ReFT) objective. We empirically observe that FoldFlow-2 outperforms previous state-of-the-art protein structure-based generative models, improving over RFDiffusion in terms of unconditional generation across all metrics including designability, diversity, and novelty across all protein lengths, as well as exhibiting generalization on the task of equilibrium conformation sampling. Finally, we demonstrate that a fine-tuned FoldFlow-2 makes progress on challenging conditional design tasks such as designing scaffolds for the VHH nanobody., Comment: preprint

Recently, Multimodal Large Language Models (MLLMs) achieve remarkable performance in numerous zero-shot tasks due to their outstanding cross-modal interaction and comprehension abilities. However, MLLMs are found to still be vulnerable to human-imperceptible adversarial examples. In the exploration of security vulnerabilities in real-world scenarios, transferability, which can achieve cross-model impact, is considered the greatest threat posed by adversarial examples. However, there is currently no systematic research on the threat of cross-MLLMs adversarial transferability. Therefore, this paper as the first step to provide a comprehensive evaluation of the transferability of adversarial examples generated by various MLLMs. Furthermore, leveraging two key factors that influence transferability performance: 1) The strength of information diversity involved in the adversarial generation process; 2) Editing across vision-language modality information. We propose a boosting method called Typography Augment Transferability Method (TATM) to investigate the adversarial transferability performance across MLLMs further. Through extensive experimental validation, our TATM demonstrates exceptional performance in real-world applications of "Harmful Word Insertion" and "Important Information Protection".

In the vast and dynamic landscape of urban settings, Traffic Safety Description and Analysis plays a pivotal role in applications ranging from insurance inspection to accident prevention. This paper introduces CityLLaVA, a novel fine-tuning framework for Visual Language Models (VLMs) designed for urban scenarios. CityLLaVA enhances model comprehension and prediction accuracy through (1) employing bounding boxes for optimal visual data preprocessing, including video best-view selection and visual prompt engineering during both training and testing phases; (2) constructing concise Question-Answer sequences and designing textual prompts to refine instruction comprehension; (3) implementing block expansion to fine-tune large VLMs efficiently; and (4) advancing prediction accuracy via a unique sequential questioning-based prediction augmentation. Demonstrating top-tier performance, our method achieved a benchmark score of 33.4308, securing the leading position on the leaderboard. The code can be found: https://github.com/alibaba/AICITY2024_Track2_AliOpenTrek_CityLLaVA, Comment: Accepted by AICITY2024 Workshop Track2 at CVPR2024

Despite substantial progress in machine learning for scientific discovery in recent years, truly de novo design of small molecules which exhibit a property of interest remains a significant challenge. We introduce LambdaZero, a generative active learning approach to search for synthesizable molecules. Powered by deep reinforcement learning, LambdaZero learns to search over the vast space of molecules to discover candidates with a desired property. We apply LambdaZero with molecular docking to design novel small molecules that inhibit the enzyme soluble Epoxide Hydrolase 2 (sEH), while enforcing constraints on synthesizability and drug-likeliness. LambdaZero provides an exponential speedup in terms of the number of calls to the expensive molecular docking oracle, and LambdaZero de novo designed molecules reach docking scores that would otherwise require the virtual screening of a hundred billion molecules. Importantly, LambdaZero discovers novel scaffolds of synthesizable, drug-like inhibitors for sEH. In in vitro experimental validation, a series of ligands from a generated quinazoline-based scaffold were synthesized, and the lead inhibitor N-(4,6-di(pyrrolidin-1-yl)quinazolin-2-yl)-N-methylbenzamide (UM0152893) displayed sub-micromolar enzyme inhibition of sEH.