Implicit Neural Representations for Chemical Reaction Paths

We show that neural networks can be optimized to represent minimum energy paths as continuous functions, offering a flexible alternative to discrete path-search methods like Nudged Elastic Band (NEB). Our approach parameterizes reaction paths with a network trained on a loss function that discards tangential energy gradients and enables instant estimation of the transition state. We first validate the method on two-dimensional potentials and then demonstrate its advantages over NEB on challenging atomistic systems where (i) poor initial guesses yield unphysical paths, (ii) multiple competing paths exist, or (iii) the reaction follows a complex multi-step mechanism. Results highlight the versatility of the method -- for instance, a simple adjustment to the sampling strategy during optimization can help escape local-minimum solutions. Finally, in a low-dimensional setting, we demonstrate that a single neural network can learn from existing paths and generalize to unseen systems, showing promise for a universal reaction path representation.

PSyDUCK: Training-Free Steganography for Latent Diffusion

Recent advances in AI-generated steganography highlight its potential for safeguarding the privacy of vulnerable democratic actors, including aid workers, journalists, and whistleblowers operating in oppressive regimes. In this work, we address current limitations and establish the foundations for large-throughput generative steganography. We introduce a novel approach that enables secure and efficient steganography within latent diffusion models. We show empirically that our methods perform well across a variety of open-source latent diffusion models, particularly in generative image and video tasks.

Vision-Language Models Do Not Understand Negation

Many practical vision-language applications require models that understand negation, e.g., when using natural language to retrieve images which contain certain objects but not others. Despite advancements in vision-language models (VLMs) through large-scale training, their ability to comprehend negation remains underexplored. This study addresses the question: how well do current VLMs understand negation? We introduce NegBench, a new benchmark designed to evaluate negation understanding across 18 task variations and 79k examples spanning image, video, and medical datasets. The benchmark consists of two core tasks designed to evaluate negation understanding in diverse multimodal settings: Retrieval with Negation and Multiple Choice Questions with Negated Captions. Our evaluation reveals that modern VLMs struggle significantly with negation, often performing at chance level. To address these shortcomings, we explore a data-centric approach wherein we finetune CLIP models on large-scale synthetic datasets containing millions of negated captions. We show that this approach can result in a 10% increase in recall on negated queries and a 40% boost in accuracy on multiple-choice questions with negated captions.

Open Problems in Machine Unlearning for AI Safety

As AI systems become more capable, widely deployed, and increasingly autonomous in critical areas such as cybersecurity, biological research, and healthcare, ensuring their safety and alignment with human values is paramount. Machine unlearning -- the ability to selectively forget or suppress specific types of knowledge -- has shown promise for privacy and data removal tasks, which has been the primary focus of existing research. More recently, its potential application to AI safety has gained attention. In this paper, we identify key limitations that prevent unlearning from serving as a comprehensive solution for AI safety, particularly in managing dual-use knowledge in sensitive domains like cybersecurity and chemical, biological, radiological, and nuclear (CBRN) safety. In these contexts, information can be both beneficial and harmful, and models may combine seemingly harmless information for harmful purposes -- unlearning this information could strongly affect beneficial uses. We provide an overview of inherent constraints and open problems, including the broader side effects of unlearning dangerous knowledge, as well as previously unexplored tensions between unlearning and existing safety mechanisms. Finally, we investigate challenges related to evaluation, robustness, and the preservation of safety features during unlearning. By mapping these limitations and open challenges, we aim to guide future research toward realistic applications of unlearning within a broader AI safety framework, acknowledging its limitations and highlighting areas where alternative approaches may be required.

Detecting LLM Hallucination Through Layer-wise Information Deficiency: Analysis of Unanswerable Questions and Ambiguous Prompts

Large language models (LLMs) frequently generate confident yet inaccurate responses, introducing significant risks for deployment in safety-critical domains. We present a novel approach to detecting model hallucination through systematic analysis of information flow across model layers when processing inputs with insufficient or ambiguous context. Our investigation reveals that hallucination manifests as usable information deficiencies in inter-layer transmissions. While existing approaches primarily focus on final-layer output analysis, we demonstrate that tracking cross-layer information dynamics ($\mathcal{L}$I) provides robust indicators of model reliability, accounting for both information gain and loss during computation. $\mathcal{L}$I improves model reliability by immediately integrating with universal LLMs without additional training or architectural modifications.

SafetyDPO: Scalable Safety Alignment for Text-to-Image Generation

Text-to-image (T2I) models have become widespread, but their limited safety guardrails expose end users to harmful content and potentially allow for model misuse. Current safety measures are typically limited to text-based filtering or concept removal strategies, able to remove just a few concepts from the model's generative capabilities. In this work, we introduce SafetyDPO, a method for safety alignment of T2I models through Direct Preference Optimization (DPO). We enable the application of DPO for safety purposes in T2I models by synthetically generating a dataset of harmful and safe image-text pairs, which we call CoProV2. Using a custom DPO strategy and this dataset, we train safety experts, in the form of low-rank adaptation (LoRA) matrices, able to guide the generation process away from specific safety-related concepts. Then, we merge the experts into a single LoRA using a novel merging strategy for optimal scaling performance. This expert-based approach enables scalability, allowing us to remove 7 times more harmful concepts from T2I models compared to baselines. SafetyDPO consistently outperforms the state-of-the-art on many benchmarks and establishes new practices for safety alignment in T2I networks. Code and data will be shared at https://safetydpo.github.io/.

Learning Camera Movement Control from Real-World Drone Videos

This study seeks to automate camera movement control for filming existing subjects into attractive videos, contrasting with the creation of non-existent content by directly generating the pixels. We select drone videos as our test case due to their rich and challenging motion patterns, distinctive viewing angles, and precise controls. Existing AI videography methods struggle with limited appearance diversity in simulation training, high costs of recording expert operations, and difficulties in designing heuristic-based goals to cover all scenarios. To avoid these issues, we propose a scalable method that involves collecting real-world training data to improve diversity, extracting camera trajectories automatically to minimize annotation costs, and training an effective architecture that does not rely on heuristics. Specifically, we collect 99k high-quality trajectories by running 3D reconstruction on online videos, connecting camera poses from consecutive frames to formulate 3D camera paths, and using Kalman filter to identify and remove low-quality data. Moreover, we introduce DVGFormer, an auto-regressive transformer that leverages the camera path and images from all past frames to predict camera movement in the next frame. We evaluate our system across 38 synthetic natural scenes and 7 real city 3D scans. We show that our system effectively learns to perform challenging camera movements such as navigating through obstacles, maintaining low altitude to increase perceived speed, and orbiting towers and buildings, which are very useful for recording high-quality videos. Data and code are available at dvgformer.github.io.

Video Motion Transfer with Diffusion Transformers

We propose DiTFlow, a method for transferring the motion of a reference video to a newly synthesized one, designed specifically for Diffusion Transformers (DiT). We first process the reference video with a pre-trained DiT to analyze cross-frame attention maps and extract a patch-wise motion signal called the Attention Motion Flow (AMF). We guide the latent denoising process in an optimization-based, training-free, manner by optimizing latents with our AMF loss to generate videos reproducing the motion of the reference one. We also apply our optimization strategy to transformer positional embeddings, granting us a boost in zero-shot motion transfer capabilities. We evaluate DiTFlow against recently published methods, outperforming all across multiple metrics and human evaluation.

Benchmarking Open-ended Audio Dialogue Understanding for Large Audio-Language Models

Large Audio-Language Models (LALMs) have unclocked audio dialogue capabilities, where audio dialogues are a direct exchange of spoken language between LALMs and humans. Recent advances, such as GPT-4o, have enabled LALMs in back-and-forth audio dialogues with humans. This progression not only underscores the potential of LALMs but also broadens their applicability across a wide range of practical scenarios supported by audio dialogues. However, given these advancements, a comprehensive benchmark to evaluate the performance of LALMs in the open-ended audio dialogue understanding remains absent currently. To address this gap, we propose an Audio Dialogue Understanding Benchmark (ADU-Bench), which consists of 4 benchmark datasets. They assess the open-ended audio dialogue ability for LALMs in 3 general scenarios, 12 skills, 9 multilingual languages, and 4 categories of ambiguity handling. Notably, we firstly propose the evaluation of ambiguity handling in audio dialogues that expresses different intentions beyond the same literal meaning of sentences, e.g., "Really!?" with different intonations. In summary, ADU-Bench includes over 20,000 open-ended audio dialogues for the assessment of LALMs. Through extensive experiments conducted on 13 LALMs, our analysis reveals that there is still considerable room for improvement in the audio dialogue understanding abilities of existing LALMs. In particular, they struggle with mathematical symbols and formulas, understanding human behavior such as roleplay, comprehending multiple languages, and handling audio dialogue ambiguities from different phonetic elements, such as intonations, pause positions, and homophones.

Effortless Efficiency: Low-Cost Pruning of Diffusion Models

Diffusion models have achieved impressive advancements in various vision tasks. However, these gains often rely on increasing model size, which escalates computational complexity and memory demands, complicating deployment, raising inference costs, and causing environmental impact. While some studies have explored pruning techniques to improve the memory efficiency of diffusion models, most existing methods require extensive retraining to retain the model performance. Retraining a modern large diffusion model is extremely costly and resource-intensive, which limits the practicality of these methods. In this work, we achieve low-cost diffusion pruning without retraining by proposing a model-agnostic structural pruning framework for diffusion models that learns a differentiable mask to sparsify the model. To ensure effective pruning that preserves the quality of the final denoised latent, we design a novel end-to-end pruning objective that spans the entire diffusion process. As end-to-end pruning is memory-intensive, we further propose time step gradient checkpointing, a technique that significantly reduces memory usage during optimization, enabling end-to-end pruning within a limited memory budget. Results on state-of-the-art U-Net diffusion models SDXL and diffusion transformers (FLUX) demonstrate that our method can effectively prune up to 20% parameters with minimal perceptible performance degradation, and notably, without the need for model retraining. We also showcase that our method can still prune on top of time step distilled diffusion models.