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Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation

Deep generative diffusion models are a promising avenue for 3D de novo molecular design in materials science and drug discovery. However, their utility is still limited by suboptimal performance on large molecular structures and limited training data. To address this gap, we explore the design space of E(3)-equivariant diffusion models, focusing on previously unexplored areas. Our extensive comparative analysis evaluates the interplay between continuous and discrete state spaces. From this investigation, we present the EQGAT-diff model, which consistently outperforms established models for the QM9 and GEOM-Drugs datasets. Significantly, EQGAT-diff takes continuous atom positions, while chemical elements and bond types are categorical and uses time-dependent loss weighting, substantially increasing training convergence, the quality of generated samples, and inference time. We also showcase that including chemically motivated additional features like hybridization states in the diffusion process enhances the validity of generated molecules. To further strengthen the applicability of diffusion models to limited training data, we investigate the transferability of EQGAT-diff trained on the large PubChem3D dataset with implicit hydrogen atoms to target different data distributions. Fine-tuning EQGAT-diff for just a few iterations shows an efficient distribution shift, further improving performance throughout data sets. Finally, we test our model on the Crossdocked data set for structure-based de novo ligand generation, underlining the importance of our findings showing state-of-the-art performance on Vina docking scores.

Benchmarking Trustworthiness of Multimodal Large Language Models: A Comprehensive Study

Despite the superior capabilities of Multimodal Large Language Models (MLLMs) across diverse tasks, they still face significant trustworthiness challenges. Yet, current literature on the assessment of trustworthy MLLMs remains limited, lacking a holistic evaluation to offer thorough insights into future improvements. In this work, we establish MultiTrust, the first comprehensive and unified benchmark on the trustworthiness of MLLMs across five primary aspects: truthfulness, safety, robustness, fairness, and privacy. Our benchmark employs a rigorous evaluation strategy that addresses both multimodal risks and cross-modal impacts, encompassing 32 diverse tasks with self-curated datasets. Extensive experiments with 21 modern MLLMs reveal some previously unexplored trustworthiness issues and risks, highlighting the complexities introduced by the multimodality and underscoring the necessity for advanced methodologies to enhance their reliability. For instance, typical proprietary models still struggle with the perception of visually confusing images and are vulnerable to multimodal jailbreaking and adversarial attacks; MLLMs are more inclined to disclose privacy in text and reveal ideological and cultural biases even when paired with irrelevant images in inference, indicating that the multimodality amplifies the internal risks from base LLMs. Additionally, we release a scalable toolbox for standardized trustworthiness research, aiming to facilitate future advancements in this important field. Code and resources are publicly available at: https://multi-trust.github.io/.

Efficient Pruning of Text-to-Image Models: Insights from Pruning Stable Diffusion

As text-to-image models grow increasingly powerful and complex, their burgeoning size presents a significant obstacle to widespread adoption, especially on resource-constrained devices. This paper presents a pioneering study on post-training pruning of Stable Diffusion 2, addressing the critical need for model compression in text-to-image domain. Our study tackles the pruning techniques for the previously unexplored multi-modal generation models, and particularly examines the pruning impact on the textual component and the image generation component separately. We conduct a comprehensive comparison on pruning the model or the single component of the model in various sparsities. Our results yield previously undocumented findings. For example, contrary to established trends in language model pruning, we discover that simple magnitude pruning outperforms more advanced techniques in text-to-image context. Furthermore, our results show that Stable Diffusion 2 can be pruned to 38.5% sparsity with minimal quality loss, achieving a significant reduction in model size. We propose an optimal pruning configuration that prunes the text encoder to 47.5% and the diffusion generator to 35%. This configuration maintains image generation quality while substantially reducing computational requirements. In addition, our work uncovers intriguing questions about information encoding in text-to-image models: we observe that pruning beyond certain thresholds leads to sudden performance drops (unreadable images), suggesting that specific weights encode critical semantics information. This finding opens new avenues for future research in model compression, interoperability, and bias identification in text-to-image models. By providing crucial insights into the pruning behavior of text-to-image models, our study lays the groundwork for developing more efficient and accessible AI-driven image generation systems

Merging Models with Fisher-Weighted Averaging

Averaging the parameters of models that have the same architecture and initialization can provide a means of combining their respective capabilities. In this paper, we take the perspective that this "merging" operation can be seen as choosing parameters that approximately maximize the joint likelihood of the posteriors of the models' parameters. Computing a simple average of the models' parameters therefore corresponds to making an isotropic Gaussian approximation to their posteriors. We develop an alternative merging procedure based on the Laplace approximation where we approximate each model's posterior as a Gaussian distribution whose precision matrix corresponds to its Fisher information. We first show that our "Fisher merging" technique provides a performance boost in settings where simple parameter averaging is currently used -- specifically, robust fine-tuning and model ensembling. Then, we compare merging to standard gradient-based transfer learning and demonstrate that merging enables a fundamentally different method for transferring capabilities across models. Specifically, we show that Fisher merging is competitive with gradient-based transfer learning approaches (while being significantly cheaper) in intermediate-task training and domain-adaptive pre-training. We also show that our merging procedure makes it possible to combine models in previously unexplored ways. We release our code to facilitate future research into methods for merging models.

Text2SQL is Not Enough: Unifying AI and Databases with TAG

AI systems that serve natural language questions over databases promise to unlock tremendous value. Such systems would allow users to leverage the powerful reasoning and knowledge capabilities of language models (LMs) alongside the scalable computational power of data management systems. These combined capabilities would empower users to ask arbitrary natural language questions over custom data sources. However, existing methods and benchmarks insufficiently explore this setting. Text2SQL methods focus solely on natural language questions that can be expressed in relational algebra, representing a small subset of the questions real users wish to ask. Likewise, Retrieval-Augmented Generation (RAG) considers the limited subset of queries that can be answered with point lookups to one or a few data records within the database. We propose Table-Augmented Generation (TAG), a unified and general-purpose paradigm for answering natural language questions over databases. The TAG model represents a wide range of interactions between the LM and database that have been previously unexplored and creates exciting research opportunities for leveraging the world knowledge and reasoning capabilities of LMs over data. We systematically develop benchmarks to study the TAG problem and find that standard methods answer no more than 20% of queries correctly, confirming the need for further research in this area. We release code for the benchmark at https://github.com/TAG-Research/TAG-Bench.

Entropy-Guided Attention for Private LLMs

The pervasiveness of proprietary language models has raised critical privacy concerns, necessitating advancements in private inference (PI), where computations are performed directly on encrypted data without revealing users' sensitive information. While PI offers a promising solution, its practical deployment is hindered by substantial communication and latency overheads, primarily stemming from nonlinear operations. To address this, we introduce an information-theoretic framework to characterize the role of nonlinearities in decoder-only language models, laying a principled foundation for optimizing transformer-architectures tailored to the demands of PI. By leveraging Shannon's entropy as a quantitative measure, we uncover the previously unexplored dual significance of nonlinearities: beyond ensuring training stability, they are crucial for maintaining attention head diversity. Specifically, we find that their removal triggers two critical failure modes: {\em entropy collapse} in deeper layers that destabilizes training, and {\em entropic overload} in earlier layers that leads to under-utilization of Multi-Head Attention's (MHA) representational capacity. We propose an entropy-guided attention mechanism paired with a novel entropy regularization technique to mitigate entropic overload. Additionally, we explore PI-friendly alternatives to layer normalization for preventing entropy collapse and stabilizing the training of LLMs with reduced-nonlinearities. Our study bridges the gap between information theory and architectural design, establishing entropy dynamics as a principled guide for developing efficient PI architectures. The code and implementation are available at https://github.com/Nandan91/entropy-guided-attention-llm{entropy-guided-llm}.

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.

Refining Text-to-Image Generation: Towards Accurate Training-Free Glyph-Enhanced Image Generation

Over the past few years, Text-to-Image (T2I) generation approaches based on diffusion models have gained significant attention. However, vanilla diffusion models often suffer from spelling inaccuracies in the text displayed within the generated images. The capability to generate visual text is crucial, offering both academic interest and a wide range of practical applications. To produce accurate visual text images, state-of-the-art techniques adopt a glyph-controlled image generation approach, consisting of a text layout generator followed by an image generator that is conditioned on the generated text layout. Nevertheless, our study reveals that these models still face three primary challenges, prompting us to develop a testbed to facilitate future research. We introduce a benchmark, LenCom-Eval, specifically designed for testing models' capability in generating images with Lengthy and Complex visual text. Subsequently, we introduce a training-free framework to enhance the two-stage generation approaches. We examine the effectiveness of our approach on both LenCom-Eval and MARIO-Eval benchmarks and demonstrate notable improvements across a range of evaluation metrics, including CLIPScore, OCR precision, recall, F1 score, accuracy, and edit distance scores. For instance, our proposed framework improves the backbone model, TextDiffuser, by more than 23\% and 13.5\% in terms of OCR word F1 on LenCom-Eval and MARIO-Eval, respectively. Our work makes a unique contribution to the field by focusing on generating images with long and rare text sequences, a niche previously unexplored by existing literature

Utilizing Wavelet Transform in the Analysis of Scaling Dynamics for Milk Quality Evaluation

Food safety and quality are paramount concerns worldwide, especially concerning nutritional quality and its impact on human health. Ensuring the accuracy and efficiency of milk quality assessment is vital for maintaining the quality of dairy farm produce. Milk spectral data, Mid-infrared spectra (MIRS) of milk samples, are frequently employed for milk quality evaluations, encompassing various milk quality parameters. However, conventional milk quality analyses have overlooked the scaling nature, known as stochastic similarity in different scales, inherent in milk spectral data. Wavelet transforms are among the tools used in these analyses, although they are primarily used as data pre-processing techniques without fully realizing their potential in extracting valuable insights. The primary purpose of this study is to demonstrate the importance of accounting for scaling properties in assessing milk quality. A set of 12 descriptors is computed to characterize scaling properties in milk spectral data within the wavelet domain. These descriptors are then assessed for their effectiveness in milk quality assessments utilizing 18 different milk quality parameters. They notably demonstrated comparable performance to existing methods while utilizing fewer features when applied to an MIRS dataset. This innovative approach holds substantial promise for advancing the field of milk quality assessment, offering a means to achieve more accurate and efficient evaluations while shedding light on previously unexplored aspects of milk spectral data.

AttackSeqBench: Benchmarking Large Language Models' Understanding of Sequential Patterns in Cyber Attacks

The observations documented in Cyber Threat Intelligence (CTI) reports play a critical role in describing adversarial behaviors, providing valuable insights for security practitioners to respond to evolving threats. Recent advancements of Large Language Models (LLMs) have demonstrated significant potential in various cybersecurity applications, including CTI report understanding and attack knowledge graph construction. While previous works have proposed benchmarks that focus on the CTI extraction ability of LLMs, the sequential characteristic of adversarial behaviors within CTI reports remains largely unexplored, which holds considerable significance in developing a comprehensive understanding of how adversaries operate. To address this gap, we introduce AttackSeqBench, a benchmark tailored to systematically evaluate LLMs' capability to understand and reason attack sequences in CTI reports. Our benchmark encompasses three distinct Question Answering (QA) tasks, each task focuses on the varying granularity in adversarial behavior. To alleviate the laborious effort of QA construction, we carefully design an automated dataset construction pipeline to create scalable and well-formulated QA datasets based on real-world CTI reports. To ensure the quality of our dataset, we adopt a hybrid approach of combining human evaluation and systematic evaluation metrics. We conduct extensive experiments and analysis with both fast-thinking and slow-thinking LLMs, while highlighting their strengths and limitations in analyzing the sequential patterns in cyber attacks. The overarching goal of this work is to provide a benchmark that advances LLM-driven CTI report understanding and fosters its application in real-world cybersecurity operations. Our dataset and code are available at https://github.com/Javiery3889/AttackSeqBench .

Latent Compass: Creation by Navigation

In Marius von Senden's Space and Sight, a newly sighted blind patient describes the experience of a corner as lemon-like, because corners "prick" sight like lemons prick the tongue. Prickliness, here, is a dimension in the feature space of sensory experience, an effect of the perceived on the perceiver that arises where the two interact. In the account of the newly sighted, an effect familiar from one interaction translates to a novel context. Perception serves as the vehicle for generalization, in that an effect shared across different experiences produces a concrete abstraction grounded in those experiences. Cezanne and the post-impressionists, fluent in the language of experience translation, realized that the way to paint a concrete form that best reflected reality was to paint not what they saw, but what it was like to see. We envision a future of creation using AI where what it is like to see is replicable, transferrable, manipulable - part of the artist's palette that is both grounded in a particular context, and generalizable beyond it. An active line of research maps human-interpretable features onto directions in GAN latent space. Supervised and self-supervised approaches that search for anticipated directions or use off-the-shelf classifiers to drive image manipulation in embedding space are limited in the variety of features they can uncover. Unsupervised approaches that discover useful new directions show that the space of perceptually meaningful directions is nowhere close to being fully mapped. As this space is broad and full of creative potential, we want tools for direction discovery that capture the richness and generalizability of human perception. Our approach puts creators in the discovery loop during real-time tool use, in order to identify directions that are perceptually meaningful to them, and generate interpretable image translations along those directions.

Harnessing the Hubble Space Telescope Archives: A Catalogue of 21,926 Interacting Galaxies

Mergers play a complex role in galaxy formation and evolution. Continuing to improve our understanding of these systems require ever larger samples, which can be difficult (even impossible) to select from individual surveys. We use the new platform ESA Datalabs to assemble a catalogue of interacting galaxies from the Hubble Space Telescope science archives; this catalogue is larger than previously published catalogues by nearly an order of magnitude. In particular, we apply the Zoobot convolutional neural network directly to the entire public archive of HST F814W images and make probabilistic interaction predictions for 126 million sources from the Hubble Source Catalogue. We employ a combination of automated visual representation and visual analysis to identify a clean sample of 21,926 interacting galaxy systems, mostly with z < 1. Sixty five percent of these systems have no previous references in either the NASA Extragalactic Database or Simbad. In the process of removing contamination, we also discover many other objects of interest, such as gravitational lenses, edge-on protoplanetary disks, and `backlit' overlapping galaxies. We briefly investigate the basic properties of this sample, and we make our catalogue publicly available for use by the community. In addition to providing a new catalogue of scientifically interesting objects imaged by HST, this work also demonstrates the power of the ESA Datalabs tool to facilitate substantial archival analysis without placing a high computational or storage burden on the end user.

Segmenting Known Objects and Unseen Unknowns without Prior Knowledge

Panoptic segmentation methods assign a known class to each pixel given in input. Even for state-of-the-art approaches, this inevitably enforces decisions that systematically lead to wrong predictions for objects outside the training categories. However, robustness against out-of-distribution samples and corner cases is crucial in safety-critical settings to avoid dangerous consequences. Since real-world datasets cannot contain enough data points to adequately sample the long tail of the underlying distribution, models must be able to deal with unseen and unknown scenarios as well. Previous methods targeted this by re-identifying already-seen unlabeled objects. In this work, we propose the necessary step to extend segmentation with a new setting which we term holistic segmentation. Holistic segmentation aims to identify and separate objects of unseen, unknown categories into instances without any prior knowledge about them while performing panoptic segmentation of known classes. We tackle this new problem with U3HS, which finds unknowns as highly uncertain regions and clusters their corresponding instance-aware embeddings into individual objects. By doing so, for the first time in panoptic segmentation with unknown objects, our U3HS is trained without unknown categories, reducing assumptions and leaving the settings as unconstrained as in real-life scenarios. Extensive experiments on public data from MS COCO, Cityscapes, and Lost&Found demonstrate the effectiveness of U3HS for this new, challenging, and assumptions-free setting called holistic segmentation. Project page: https://holisticseg.github.io.

OMNI: Open-endedness via Models of human Notions of Interestingness

Open-ended algorithms aim to learn new, interesting behaviors forever. That requires a vast environment search space, but there are thus infinitely many possible tasks. Even after filtering for tasks the current agent can learn (i.e., learning progress), countless learnable yet uninteresting tasks remain (e.g., minor variations of previously learned tasks). An Achilles Heel of open-endedness research is the inability to quantify (and thus prioritize) tasks that are not just learnable, but also interesting (e.g., worthwhile and novel). We propose solving this problem by Open-endedness via Models of human Notions of Interestingness (OMNI). The insight is that we can utilize foundation models (FMs) as a model of interestingness (MoI), because they already internalize human concepts of interestingness from training on vast amounts of human-generated data, where humans naturally write about what they find interesting or boring. We show that FM-based MoIs improve open-ended learning by focusing on tasks that are both learnable and interesting, outperforming baselines based on uniform task sampling or learning progress alone. This approach has the potential to dramatically advance the ability to intelligently select which tasks to focus on next (i.e., auto-curricula), and could be seen as AI selecting its own next task to learn, facilitating self-improving AI and AI-Generating Algorithms. Project website at https://www.jennyzhangzt.com/omni/

Retrieval Helps or Hurts? A Deeper Dive into the Efficacy of Retrieval Augmentation to Language Models

While large language models (LMs) demonstrate remarkable performance, they encounter challenges in providing accurate responses when queried for information beyond their pre-trained memorization. Although augmenting them with relevant external information can mitigate these issues, failure to consider the necessity of retrieval may adversely affect overall performance. Previous research has primarily focused on examining how entities influence retrieval models and knowledge recall in LMs, leaving other aspects relatively unexplored. In this work, our goal is to offer a more detailed, fact-centric analysis by exploring the effects of combinations of entities and relations. To facilitate this, we construct a new question answering (QA) dataset called WiTQA (Wikipedia Triple Question Answers). This dataset includes questions about entities and relations of various popularity levels, each accompanied by a supporting passage. Our extensive experiments with diverse LMs and retrievers reveal when retrieval does not consistently enhance LMs from the viewpoints of fact-centric popularity.Confirming earlier findings, we observe that larger LMs excel in recalling popular facts. However, they notably encounter difficulty with infrequent entity-relation pairs compared to retrievers. Interestingly, they can effectively retain popular relations of less common entities. We demonstrate the efficacy of our finer-grained metric and insights through an adaptive retrieval system that selectively employs retrieval and recall based on the frequencies of entities and relations in the question.

Harnessing Vision Foundation Models for High-Performance, Training-Free Open Vocabulary Segmentation

While Contrastive Language-Image Pre-training (CLIP) has advanced open-vocabulary predictions, its performance on semantic segmentation remains suboptimal. This shortfall primarily stems from its spatial-invariant semantic features and constrained resolution. While previous adaptations addressed spatial invariance semantic by modifying the self-attention in CLIP's image encoder, the issue of limited resolution remains unexplored. Different from previous segment-then-splice methods that segment sub-images via a sliding window and splice the results, we introduce a splice-then-segment paradigm that incorporates Segment-Anything Model (SAM) to tackle the resolution issue since SAM excels at extracting fine-grained semantic correlations from high-resolution images. Specifically, we introduce Trident, a training-free framework that first splices features extracted by CLIP and DINO from sub-images, then leverages SAM's encoder to create a correlation matrix for global aggregation, enabling a broadened receptive field for effective segmentation. Besides, we propose a refinement strategy for CLIP's coarse segmentation outputs by transforming them into prompts for SAM, further enhancing the segmentation performance. Trident achieves a significant improvement in the mIoU across eight benchmarks compared with the current SOTA, increasing from 44.4 to 48.6.Code is available at https://github.com/YuHengsss/Trident.

Understanding Disparities in Post Hoc Machine Learning Explanation

Previous work has highlighted that existing post-hoc explanation methods exhibit disparities in explanation fidelity (across 'race' and 'gender' as sensitive attributes), and while a large body of work focuses on mitigating these issues at the explanation metric level, the role of the data generating process and black box model in relation to explanation disparities remains largely unexplored. Accordingly, through both simulations as well as experiments on a real-world dataset, we specifically assess challenges to explanation disparities that originate from properties of the data: limited sample size, covariate shift, concept shift, omitted variable bias, and challenges based on model properties: inclusion of the sensitive attribute and appropriate functional form. Through controlled simulation analyses, our study demonstrates that increased covariate shift, concept shift, and omission of covariates increase explanation disparities, with the effect pronounced higher for neural network models that are better able to capture the underlying functional form in comparison to linear models. We also observe consistent findings regarding the effect of concept shift and omitted variable bias on explanation disparities in the Adult income dataset. Overall, results indicate that disparities in model explanations can also depend on data and model properties. Based on this systematic investigation, we provide recommendations for the design of explanation methods that mitigate undesirable disparities.

Discovering Failure Modes of Text-guided Diffusion Models via Adversarial Search

Text-guided diffusion models (TDMs) are widely applied but can fail unexpectedly. Common failures include: (i) natural-looking text prompts generating images with the wrong content, or (ii) different random samples of the latent variables that generate vastly different, and even unrelated, outputs despite being conditioned on the same text prompt. In this work, we aim to study and understand the failure modes of TDMs in more detail. To achieve this, we propose SAGE, the first adversarial search method on TDMs that systematically explores the discrete prompt space and the high-dimensional latent space, to automatically discover undesirable behaviors and failure cases in image generation. We use image classifiers as surrogate loss functions during searching, and employ human inspections to validate the identified failures. For the first time, our method enables efficient exploration of both the discrete and intricate human language space and the challenging latent space, overcoming the gradient vanishing problem. Then, we demonstrate the effectiveness of SAGE on five widely used generative models and reveal four typical failure modes: (1) We find a variety of natural text prompts that generate images failing to capture the semantics of input texts. We further discuss the underlying causes and potential solutions based on the results. (2) We find regions in the latent space that lead to distorted images independent of the text prompt, suggesting that parts of the latent space are not well-structured. (3) We also find latent samples that result in natural-looking images unrelated to the text prompt, implying a possible misalignment between the latent and prompt spaces. (4) By appending a single adversarial token embedding to any input prompts, we can generate a variety of specified target objects. Project page: https://sage-diffusion.github.io/

3D-Mem: 3D Scene Memory for Embodied Exploration and Reasoning

Constructing compact and informative 3D scene representations is essential for effective embodied exploration and reasoning, especially in complex environments over extended periods. Existing representations, such as object-centric 3D scene graphs, oversimplify spatial relationships by modeling scenes as isolated objects with restrictive textual relationships, making it difficult to address queries requiring nuanced spatial understanding. Moreover, these representations lack natural mechanisms for active exploration and memory management, hindering their application to lifelong autonomy. In this work, we propose 3D-Mem, a novel 3D scene memory framework for embodied agents. 3D-Mem employs informative multi-view images, termed Memory Snapshots, to represent the scene and capture rich visual information of explored regions. It further integrates frontier-based exploration by introducing Frontier Snapshots-glimpses of unexplored areas-enabling agents to make informed decisions by considering both known and potential new information. To support lifelong memory in active exploration settings, we present an incremental construction pipeline for 3D-Mem, as well as a memory retrieval technique for memory management. Experimental results on three benchmarks demonstrate that 3D-Mem significantly enhances agents' exploration and reasoning capabilities in 3D environments, highlighting its potential for advancing applications in embodied AI.

Selection Function of Clusters in Dark Energy Survey Year 3 Data from Cross-Matching with South Pole Telescope Detections

Galaxy clusters selected based on overdensities of galaxies in photometric surveys provide the largest cluster samples. Yet modeling the selection function of such samples is complicated by non-cluster members projected along the line of sight (projection effects) and the potential detection of unvirialized objects (contamination). We empirically constrain the magnitude of these effects by cross-matching galaxy clusters selected in the Dark Energy survey data with the \rdmpr, algorithm with significant detections in three South Pole Telescope surveys (SZ, pol-ECS, pol-500d). For matched clusters, we augment the \rdmpr,catalog by the SPT detection significance. For unmatched objects we use the SPT detection threshold as an upper limit on the SZe signature. Using a Bayesian population model applied to the collected multi-wavelength data, we explore various physically motivated models to describe the relationship between observed richness and halo mass. Our analysis reveals the limitations of a simple lognormal scatter model in describing the data. We rule out significant contamination by unvirialized objects at the high-richness end of the sample. While dedicated simulations offer a well-fitting calibration of projection effects, our findings suggest the presence of redshift-dependent trends that these simulations may not have captured. Our findings highlight that modeling the selection function of optically detected clusters remains a complicated challenge, requiring a combination of simulation and data-driven approaches.

Learning in Sparse Rewards settings through Quality-Diversity algorithms

In the Reinforcement Learning (RL) framework, the learning is guided through a reward signal. This means that in situations of sparse rewards the agent has to focus on exploration, in order to discover which action, or set of actions leads to the reward. RL agents usually struggle with this. Exploration is the focus of Quality-Diversity (QD) methods. In this thesis, we approach the problem of sparse rewards with these algorithms, and in particular with Novelty Search (NS). This is a method that only focuses on the diversity of the possible policies behaviors. The first part of the thesis focuses on learning a representation of the space in which the diversity of the policies is evaluated. In this regard, we propose the TAXONS algorithm, a method that learns a low-dimensional representation of the search space through an AutoEncoder. While effective, TAXONS still requires information on when to capture the observation used to learn said space. For this, we study multiple ways, and in particular the signature transform, to encode information about the whole trajectory of observations. The thesis continues with the introduction of the SERENE algorithm, a method that can efficiently focus on the interesting parts of the search space. This method separates the exploration of the search space from the exploitation of the reward through a two-alternating-steps approach. The exploration is performed through NS. Any discovered reward is then locally exploited through emitters. The third and final contribution combines TAXONS and SERENE into a single approach: STAX. Throughout this thesis, we introduce methods that lower the amount of prior information needed in sparse rewards settings. These contributions are a promising step towards the development of methods that can autonomously explore and find high-performance policies in a variety of sparse rewards settings.

Hyp-OW: Exploiting Hierarchical Structure Learning with Hyperbolic Distance Enhances Open World Object Detection

Open World Object Detection (OWOD) is a challenging and realistic task that extends beyond the scope of standard Object Detection task. It involves detecting both known and unknown objects while integrating learned knowledge for future tasks. However, the level of "unknownness" varies significantly depending on the context. For example, a tree is typically considered part of the background in a self-driving scene, but it may be significant in a household context. We argue that this contextual information should already be embedded within the known classes. In other words, there should be a semantic or latent structure relationship between the known and unknown items to be discovered. Motivated by this observation, we propose Hyp-OW, a method that learns and models hierarchical representation of known items through a SuperClass Regularizer. Leveraging this representation allows us to effectively detect unknown objects using a similarity distance-based relabeling module. Extensive experiments on benchmark datasets demonstrate the effectiveness of Hyp-OW, achieving improvement in both known and unknown detection (up to 6 percent). These findings are particularly pronounced in our newly designed benchmark, where a strong hierarchical structure exists between known and unknown objects. Our code can be found at https://github.com/tldoan/-HYP-OW-AAAI-2024-

A Study of Global and Episodic Bonuses for Exploration in Contextual MDPs

Exploration in environments which differ across episodes has received increasing attention in recent years. Current methods use some combination of global novelty bonuses, computed using the agent's entire training experience, and episodic novelty bonuses, computed using only experience from the current episode. However, the use of these two types of bonuses has been ad-hoc and poorly understood. In this work, we shed light on the behavior of these two types of bonuses through controlled experiments on easily interpretable tasks as well as challenging pixel-based settings. We find that the two types of bonuses succeed in different settings, with episodic bonuses being most effective when there is little shared structure across episodes and global bonuses being effective when more structure is shared. We develop a conceptual framework which makes this notion of shared structure precise by considering the variance of the value function across contexts, and which provides a unifying explanation of our empirical results. We furthermore find that combining the two bonuses can lead to more robust performance across different degrees of shared structure, and investigate different algorithmic choices for defining and combining global and episodic bonuses based on function approximation. This results in an algorithm which sets a new state of the art across 16 tasks from the MiniHack suite used in prior work, and also performs robustly on Habitat and Montezuma's Revenge.

Discovering and Exploiting Sparse Rewards in a Learned Behavior Space

Learning optimal policies in sparse rewards settings is difficult as the learning agent has little to no feedback on the quality of its actions. In these situations, a good strategy is to focus on exploration, hopefully leading to the discovery of a reward signal to improve on. A learning algorithm capable of dealing with this kind of settings has to be able to (1) explore possible agent behaviors and (2) exploit any possible discovered reward. Efficient exploration algorithms have been proposed that require to define a behavior space, that associates to an agent its resulting behavior in a space that is known to be worth exploring. The need to define this space is a limitation of these algorithms. In this work, we introduce STAX, an algorithm designed to learn a behavior space on-the-fly and to explore it while efficiently optimizing any reward discovered. It does so by separating the exploration and learning of the behavior space from the exploitation of the reward through an alternating two-steps process. In the first step, STAX builds a repertoire of diverse policies while learning a low-dimensional representation of the high-dimensional observations generated during the policies evaluation. In the exploitation step, emitters are used to optimize the performance of the discovered rewarding solutions. Experiments conducted on three different sparse reward environments show that STAX performs comparably to existing baselines while requiring much less prior information about the task as it autonomously builds the behavior space.

METRA: Scalable Unsupervised RL with Metric-Aware Abstraction

Unsupervised pre-training strategies have proven to be highly effective in natural language processing and computer vision. Likewise, unsupervised reinforcement learning (RL) holds the promise of discovering a variety of potentially useful behaviors that can accelerate the learning of a wide array of downstream tasks. Previous unsupervised RL approaches have mainly focused on pure exploration and mutual information skill learning. However, despite the previous attempts, making unsupervised RL truly scalable still remains a major open challenge: pure exploration approaches might struggle in complex environments with large state spaces, where covering every possible transition is infeasible, and mutual information skill learning approaches might completely fail to explore the environment due to the lack of incentives. To make unsupervised RL scalable to complex, high-dimensional environments, we propose a novel unsupervised RL objective, which we call Metric-Aware Abstraction (METRA). Our main idea is, instead of directly covering the entire state space, to only cover a compact latent space Z that is metrically connected to the state space S by temporal distances. By learning to move in every direction in the latent space, METRA obtains a tractable set of diverse behaviors that approximately cover the state space, being scalable to high-dimensional environments. Through our experiments in five locomotion and manipulation environments, we demonstrate that METRA can discover a variety of useful behaviors even in complex, pixel-based environments, being the first unsupervised RL method that discovers diverse locomotion behaviors in pixel-based Quadruped and Humanoid. Our code and videos are available at https://seohong.me/projects/metra/

From Posterior Sampling to Meaningful Diversity in Image Restoration

Image restoration problems are typically ill-posed in the sense that each degraded image can be restored in infinitely many valid ways. To accommodate this, many works generate a diverse set of outputs by attempting to randomly sample from the posterior distribution of natural images given the degraded input. Here we argue that this strategy is commonly of limited practical value because of the heavy tail of the posterior distribution. Consider for example inpainting a missing region of the sky in an image. Since there is a high probability that the missing region contains no object but clouds, any set of samples from the posterior would be entirely dominated by (practically identical) completions of sky. However, arguably, presenting users with only one clear sky completion, along with several alternative solutions such as airships, birds, and balloons, would better outline the set of possibilities. In this paper, we initiate the study of meaningfully diverse image restoration. We explore several post-processing approaches that can be combined with any diverse image restoration method to yield semantically meaningful diversity. Moreover, we propose a practical approach for allowing diffusion based image restoration methods to generate meaningfully diverse outputs, while incurring only negligent computational overhead. We conduct extensive user studies to analyze the proposed techniques, and find the strategy of reducing similarity between outputs to be significantly favorable over posterior sampling. Code and examples are available at https://noa-cohen.github.io/MeaningfulDiversityInIR.

A Wholistic View of Continual Learning with Deep Neural Networks: Forgotten Lessons and the Bridge to Active and Open World Learning

Current deep learning methods are regarded as favorable if they empirically perform well on dedicated test sets. This mentality is seamlessly reflected in the resurfacing area of continual learning, where consecutively arriving data is investigated. The core challenge is framed as protecting previously acquired representations from being catastrophically forgotten. However, comparison of individual methods is nevertheless performed in isolation from the real world by monitoring accumulated benchmark test set performance. The closed world assumption remains predominant, i.e. models are evaluated on data that is guaranteed to originate from the same distribution as used for training. This poses a massive challenge as neural networks are well known to provide overconfident false predictions on unknown and corrupted instances. In this work we critically survey the literature and argue that notable lessons from open set recognition, identifying unknown examples outside of the observed set, and the adjacent field of active learning, querying data to maximize the expected performance gain, are frequently overlooked in the deep learning era. Hence, we propose a consolidated view to bridge continual learning, active learning and open set recognition in deep neural networks. Finally, the established synergies are supported empirically, showing joint improvement in alleviating catastrophic forgetting, querying data, selecting task orders, while exhibiting robust open world application.

PlaNet - Photo Geolocation with Convolutional Neural Networks

Is it possible to build a system to determine the location where a photo was taken using just its pixels? In general, the problem seems exceptionally difficult: it is trivial to construct situations where no location can be inferred. Yet images often contain informative cues such as landmarks, weather patterns, vegetation, road markings, and architectural details, which in combination may allow one to determine an approximate location and occasionally an exact location. Websites such as GeoGuessr and View from your Window suggest that humans are relatively good at integrating these cues to geolocate images, especially en-masse. In computer vision, the photo geolocation problem is usually approached using image retrieval methods. In contrast, we pose the problem as one of classification by subdividing the surface of the earth into thousands of multi-scale geographic cells, and train a deep network using millions of geotagged images. While previous approaches only recognize landmarks or perform approximate matching using global image descriptors, our model is able to use and integrate multiple visible cues. We show that the resulting model, called PlaNet, outperforms previous approaches and even attains superhuman levels of accuracy in some cases. Moreover, we extend our model to photo albums by combining it with a long short-term memory (LSTM) architecture. By learning to exploit temporal coherence to geolocate uncertain photos, we demonstrate that this model achieves a 50% performance improvement over the single-image model.

HaLo-NeRF: Learning Geometry-Guided Semantics for Exploring Unconstrained Photo Collections

Internet image collections containing photos captured by crowds of photographers show promise for enabling digital exploration of large-scale tourist landmarks. However, prior works focus primarily on geometric reconstruction and visualization, neglecting the key role of language in providing a semantic interface for navigation and fine-grained understanding. In constrained 3D domains, recent methods have leveraged vision-and-language models as a strong prior of 2D visual semantics. While these models display an excellent understanding of broad visual semantics, they struggle with unconstrained photo collections depicting such tourist landmarks, as they lack expert knowledge of the architectural domain. In this work, we present a localization system that connects neural representations of scenes depicting large-scale landmarks with text describing a semantic region within the scene, by harnessing the power of SOTA vision-and-language models with adaptations for understanding landmark scene semantics. To bolster such models with fine-grained knowledge, we leverage large-scale Internet data containing images of similar landmarks along with weakly-related textual information. Our approach is built upon the premise that images physically grounded in space can provide a powerful supervision signal for localizing new concepts, whose semantics may be unlocked from Internet textual metadata with large language models. We use correspondences between views of scenes to bootstrap spatial understanding of these semantics, providing guidance for 3D-compatible segmentation that ultimately lifts to a volumetric scene representation. Our results show that HaLo-NeRF can accurately localize a variety of semantic concepts related to architectural landmarks, surpassing the results of other 3D models as well as strong 2D segmentation baselines. Our project page is at https://tau-vailab.github.io/HaLo-NeRF/.

Dynamics of the Beta Pictoris planetary system and possibility of an additional planet

The Beta Pictoris system is characterized by a dusty debris disk, in addition to the presence of two already known planets. This makes it a particularly interesting case for studying the formation and evolution of planetary systems at a stage where giant planets have already formed, most of the protoplanetary gas has dissipated, and terrestrial planets could emerge. Our goal here is to explore the possibility of additional planets orbiting beyond the outermost known one, beta Pic b. More specifically, we aim to assess whether additional planets in the system could explain the discrepancy between the predicted cutoff of the disk inner cavity at sim28 au with only two planets, and the observed one at sim50 au. We perform an exhaustive dynamical modeling of the debris disk and the carving of its inner edge, by introducing one or two additional planets beyond beta Pic b, coplanar with the disk. Guided by theoretical predictions for the parameter space - mass, semi-major axis, eccentricity - allowed for additional planets, we further carry out a set of N-body simulations, using the symplectic integrator RMVS3. Our simulations indicate that an additional planet with a low eccentricity of 0.05, a mass between 0.15 and 1 M_{Jup}, and a semi-major axis between 30 and 36 au, would be consistent with the observations of an inner debris disk edge at 50 au. We have also explored the hypotheses of a higher eccentricity and the presence of two additional lower mass planets instead of one, which could also account for these observations. While we have found that one or even two additional planets could explain the observed location of the disk inner edge, these hypothetical planets remain in most cases below the current observational limits of high contrast imaging. Future observational campaigns with improved sensitivity will help lowering these limits and perhaps detect that planet.

SESA: Supervised Explicit Semantic Analysis

In recent years supervised representation learning has provided state of the art or close to the state of the art results in semantic analysis tasks including ranking and information retrieval. The core idea is to learn how to embed items into a latent space such that they optimize a supervised objective in that latent space. The dimensions of the latent space have no clear semantics, and this reduces the interpretability of the system. For example, in personalization models, it is hard to explain why a particular item is ranked high for a given user profile. We propose a novel model of representation learning called Supervised Explicit Semantic Analysis (SESA) that is trained in a supervised fashion to embed items to a set of dimensions with explicit semantics. The model learns to compare two objects by representing them in this explicit space, where each dimension corresponds to a concept from a knowledge base. This work extends Explicit Semantic Analysis (ESA) with a supervised model for ranking problems. We apply this model to the task of Job-Profile relevance in LinkedIn in which a set of skills defines our explicit dimensions of the space. Every profile and job are encoded to this set of skills their similarity is calculated in this space. We use RNNs to embed text input into this space. In addition to interpretability, our model makes use of the web-scale collaborative skills data that is provided by users for each LinkedIn profile. Our model provides state of the art result while it remains interpretable.

UnUnlearning: Unlearning is not sufficient for content regulation in advanced generative AI

Exact unlearning was first introduced as a privacy mechanism that allowed a user to retract their data from machine learning models on request. Shortly after, inexact schemes were proposed to mitigate the impractical costs associated with exact unlearning. More recently unlearning is often discussed as an approach for removal of impermissible knowledge i.e. knowledge that the model should not possess such as unlicensed copyrighted, inaccurate, or malicious information. The promise is that if the model does not have a certain malicious capability, then it cannot be used for the associated malicious purpose. In this paper we revisit the paradigm in which unlearning is used for in Large Language Models (LLMs) and highlight an underlying inconsistency arising from in-context learning. Unlearning can be an effective control mechanism for the training phase, yet it does not prevent the model from performing an impermissible act during inference. We introduce a concept of ununlearning, where unlearned knowledge gets reintroduced in-context, effectively rendering the model capable of behaving as if it knows the forgotten knowledge. As a result, we argue that content filtering for impermissible knowledge will be required and even exact unlearning schemes are not enough for effective content regulation. We discuss feasibility of ununlearning for modern LLMs and examine broader implications.