OpenRaiser/Intern-Atlas huggingface dataset:
Physiome-ODE: A Benchmark for Irregularly Sampled Multivariate Time-Series Forecasting Based on Biological ODEs
Venue: Conference ICLR 2025
Year: 2025

State-of-the-art methods for forecasting irregularly sampled time series with missing values predominantly rely on just four datasets and a few small toy examples for evaluation. While ordinary differential equations (ODE) are the prevalent models in science and engineering, a baseline model that forecasts a constant value outperforms ODE-based models from the last five years on three of these existing datasets. This unintuitive finding hampers further research on ODE-based models, a more plausible model family. In this paper, we develop a methodology to generate irregularly sampled multivariate time series (IMTS) datasets from ordinary differential equations and to select challenging instances via rejection sampling. Using this methodology, we create Physiome-ODE, a large and sophisticated benchmark of IMTS datasets consisting of 50 individual datasets, derived from real-world ordinary differential equations from research in biology. Physiome-ODE is the first benchmark for IMTS forecasting that we are aware of and an order of magnitude larger than the current evaluation setting of four datasets. Using our benchmark Physiome-ODE, we show qualitatively completely different results than those derived from the current four datasets: on Physiome-ODE ODE-based models can play to their strength and our benchmark can differentiate in a meaningful way between different IMTS forecasting models. This way, we expect to give a new impulse to research on ODE-based time series modeling.
Learning Color Equivariant Representations
Venue: Conference ICLR 2025
Year: 2025

In this paper, we introduce group convolutional neural networks (GCNNs) equivariant to color variation. GCNNs have been designed for a variety of geometric transformations from 2D and 3D rotation groups, to semi-groups such as scale. Despite the improved interpretability, accuracy and generalizability of these architectures, GCNNs have seen limited application in the context of perceptual quantities. Notably, the recent CEConv network uses a GCNN to achieve equivariance to hue transformations by convolving input images with a hue rotated RGB filter. However, this approach leads to invalid RGB values which break equivariance and degrade performance. We resolve these issues with a lifting layer that transforms the input image directly, thereby circumventing the issue of invalid RGB values and improving equivariance error by over three orders of magnitude. Moreover, we extend the notion of color equivariance to include equivariance to saturation and luminance shift. Our hue-, saturation-, luminance- and color-equivariant networks achieve strong generalization to out-of-distribution perceptual variations and improved sample efficiency over conventional architectures. We demonstrate the utility of our approach on synthetic and real world datasets where we consistently outperform competitive baselines.
Active Task Disambiguation with LLMs
Venue: Conference ICLR 2025
Year: 2025

Despite the impressive performance of large language models (LLMs) across various benchmarks, their ability to address ambiguously specified problems--frequent in real-world interactions--remains underexplored. To address this gap, we introduce a formal definition of task ambiguity and frame the problem of task disambiguation through the lens of Bayesian Experimental Design. By posing clarifying questions, LLM agents can acquire additional task specifications, progressively narrowing the space of viable solutions and reducing the risk of generating unsatisfactory outputs. Yet, generating effective clarifying questions requires LLM agents to engage in a form of meta-cognitive reasoning, an ability LLMs may presently lack. Our proposed approach of active task disambiguation enables LLM agents to generate targeted questions maximizing the information gain. Effectively, this approach shifts the load from implicit to explicit reasoning about the space of viable solutions. Empirical results demonstrate that this form of question selection leads to more effective task disambiguation in comparison to approaches relying on reasoning solely within the space of questions.
Towards Automated Knowledge Integration From Human-Interpretable Representations
Venue: Conference ICLR 2025
Year: 2025

A significant challenge in machine learning, particularly in noisy and low-data environments, lies in effectively incorporating inductive biases to enhance data efficiency and robustness. Despite the success of informed machine learning methods, designing algorithms with explicit inductive biases remains largely a manual process. In this work, we explore how prior knowledge represented in its native formats, e.g. in natural language, can be integrated into machine learning models in an automated manner. Inspired by the learning to learn principles of meta-learning, we consider the approach of learning to integrate knowledge via conditional meta-learning, a paradigm we refer to as informed meta-learning. We introduce and motivate theoretically the principles of informed meta-learning enabling automated and controllable inductive bias selection. To illustrate our claims, we implement an instantiation of informed meta-learning--the Informed Neural Process, and empirically demonstrate the potential benefits and limitations of informed meta-learning in improving data efficiency and generalisation.
Quantum-PEFT: Ultra parameter-efficient fine-tuning
Venue: Conference ICLR 2025
Year: 2025

This paper introduces Quantum-PEFT that leverages quantum computations for parameter-efficient fine-tuning (PEFT). Unlike other additive PEFT methods, such as low-rank adaptation (LoRA), Quantum-PEFT exploits an underlying full-rank yet surprisingly parameter efficient quantum unitary parameterization. With the use of Pauli parameterization, the number of trainable parameters grows only logarithmically with the ambient dimension, as opposed to linearly as in LoRA-based PEFT methods. Quantum-PEFT achieves vanishingly smaller number of trainable parameters than the lowest-rank LoRA as dimensions grow, enhancing parameter efficiency while maintaining a competitive performance. We apply Quantum-PEFT to several transfer learning benchmarks in language and vision, demonstrating significant advantages in parameter efficiency.
Latent Safety-Constrained Policy Approach for Safe Offline Reinforcement Learning
Venue: Conference ICLR 2025
Year: 2025

In safe offline reinforcement learning (RL), the objective is to develop a policy that maximizes cumulative rewards while strictly adhering to safety constraints, utilizing only offline data. Traditional methods often face difficulties in balancing these constraints, leading to either diminished performance or increased safety risks. We address these issues with a novel approach that begins by learning a conservatively safe policy through the use of Conditional Variational Autoencoders, which model the latent safety constraints. Subsequently, we frame this as a Constrained Reward-Return Maximization problem, wherein the policy aims to optimize rewards while complying with the inferred latent safety constraints. This is achieved by training an encoder with a reward-Advantage Weighted Regression objective within the latent constraint space. Our methodology is supported by theoretical analysis, including bounds on policy performance and sample complexity. Extensive empirical evaluation on benchmark datasets, including challenging autonomous driving scenarios, demonstrates that our approach not only maintains safety compliance but also excels in cumulative reward optimization, surpassing existing methods. Additional visualizations provide further insights into the effectiveness and underlying mechanisms of our approach.
Deep Weight Factorization: Sparse Learning Through the Lens of Artificial Symmetries
Venue: Conference ICLR 2025
Year: 2025

Sparse regularization techniques are well-established in machine learning, yet their application in neural networks remains challenging due to the non-differentiability of penalties like the $L_1$ norm, which is incompatible with stochastic gradient descent. A promising alternative is shallow weight factorization, where weights are decomposed into two factors, allowing for smooth optimization of $L_1$-penalized neural networks by adding differentiable $L_2$ regularization to the factors. In this work, we introduce deep weight factorization, extending previous shallow approaches to more than two factors. We theoretically establish equivalence of our deep factorization with non-convex sparse regularization and analyze its impact on training dynamics and optimization. Due to the limitations posed by standard training practices, we propose a tailored initialization scheme and identify important learning rate requirements necessary for training factorized networks. We demonstrate the effectiveness of our deep weight factorization through experiments on various architectures and datasets, consistently outperforming its shallow counterpart and widely used pruning methods.
Composable Interventions for Language Models
Venue: Conference ICLR 2025
Year: 2025

Test-time interventions for language models can enhance factual accuracy, mitigate harmful outputs, and improve model efficiency without costly retraining. But despite a flood of new methods, different types of interventions are largely developing independently. In practice, multiple interventions must be applied sequentially to the same model, yet we lack standardized ways to study how interventions interact. We fill this gap by introducing composable interventions, a framework to study the effects of using multiple interventions on the same language models, featuring new metrics and a unified codebase. Using our framework, we conduct extensive experiments and compose popular methods from three emerging intervention categories -- Knowledge Editing, Model Compression, and Machine Unlearning. Our results from 310 different compositions uncover meaningful interactions: compression hinders editing and unlearning, composing interventions hinges on their order of application, and popular general-purpose metrics are inadequate for assessing composability. Taken together, our findings showcase clear gaps in composability, suggesting a need for new multi-objective interventions. All of our code is public: https://github.com/hartvigsen-group/composable-interventions.
Flow Matching with Gaussian Process Priors for Probabilistic Time Series Forecasting
Venue: Conference ICLR 2025
Year: 2025

Recent advancements in generative modeling, particularly diffusion models, have opened new directions for time series modeling, achieving state-of-the-art performance in forecasting and synthesis. However, the reliance of diffusion-based models on a simple, fixed prior complicates the generative process since the data and prior distributions differ significantly. We introduce TSFlow, a conditional flow matching (CFM) model for time series combining Gaussian processes, optimal transport paths, and data-dependent prior distributions. By incorporating (conditional) Gaussian processes, TSFlow aligns the prior distribution more closely with the temporal structure of the data, enhancing both unconditional and conditional generation. Furthermore, we propose conditional prior sampling to enable probabilistic forecasting with an unconditionally trained model. In our experimental evaluation on eight real-world datasets, we demonstrate the generative capabilities of TSFlow, producing high-quality unconditional samples. Finally, we show that both conditionally and unconditionally trained models achieve competitive results across multiple forecasting benchmarks.
Mind the GAP: Glimpse-based Active Perception improves generalization and sample efficiency of visual reasoning
Venue: Conference ICLR 2025
Year: 2025

Human capabilities in understanding visual relations are far superior to those of AI systems, especially for previously unseen objects. For example, while AI systems struggle to determine whether two such objects are visually the same or different, humans can do so with ease. Active vision theories postulate that the learning of visual relations is grounded in actions that we take to fixate objects and their parts by moving our eyes. In particular, the low-dimensional spatial information about the corresponding eye movements is hypothesized to facilitate the representation of relations between different image parts. Inspired by these theories, we develop a system equipped with a novel Glimpse-based Active Perception (GAP) that sequentially glimpses at the most salient regions of the input image and processes them at high resolution. Importantly, our system leverages the locations stemming from the glimpsing actions, along with the visual content around them, to represent relations between different parts of the image. The results suggest that the GAP is essential for extracting visual relations that go beyond the immediate visual content. Our approach reaches state-of-the-art performance on several visual reasoning tasks being more sample-efficient, and generalizing better to out-of-distribution visual inputs than prior models.
Representational Similarity via Interpretable Visual Concepts
Venue: Conference ICLR 2025
Year: 2025

How do two deep neural networks differ in how they arrive at a decision? Measuring the similarity of deep networks has been a long-standing open question. Most existing methods provide a single number to measure the similarity of two networks at a given layer, but give no insight into what makes them similar or dissimilar. We introduce an interpretable representational similarity method (RSVC) to compare two networks. We use RSVC to discover shared and unique visual concepts between two models. We show that some aspects of model differences can be attributed to unique concepts discovered by one model that are not well represented in the other. Finally, we conduct extensive evaluation across different vision model architectures and training protocols to demonstrate its effectiveness.
NeSyC: A Neuro-symbolic Continual Learner For Complex Embodied Tasks in Open Domains
Venue: Conference ICLR 2025
Year: 2025

We explore neuro-symbolic approaches to generalize actionable knowledge, enabling embodied agents to tackle complex tasks more effectively in open-domain environments. A key challenge for embodied agents is the generalization of knowledge across diverse environments and situations, as limited experiences often confine them to their prior knowledge. To address this issue, we introduce a novel framework, NeSyC, a neuro-symbolic continual learner that emulates the hypothetico-deductive model by continually formulating and validating knowledge from limited experiences through the combined use of Large Language Models (LLMs) and symbolic tools. Specifically, we devise a contrastive generality improvement scheme within NeSyC, which iteratively generates hypotheses using LLMs and conducts contrastive validation via symbolic tools. This scheme reinforces the justification for admissible actions while minimizing the inference of inadmissible ones. Additionally, we incorporate a memory-based monitoring scheme that efficiently detects action errors and triggers the knowledge refinement process across domains. Experiments conducted on diverse embodied task benchmarks-including ALFWorld, VirtualHome, Minecraft, RLBench, and a real-world robotic scenario-demonstrate that NeSyC is highly effective in solving complex embodied tasks across a range of open-domain environments.
GOFA: A Generative One-For-All Model for Joint Graph Language Modeling
Venue: Conference ICLR 2025
Year: 2025

Foundation models, such as Large Language Models (LLMs) or Large Vision Models (LVMs), have emerged as one of the most powerful tools in the respective fields. However, unlike text and image data, graph data do not have a definitive structure, posing great challenges to developing a Graph Foundation Model (GFM). For example, current attempts at designing general graph models either transform graph data into a language format for LLM-based prediction or still train a GNN model with LLM as an assistant. The former can handle unlimited tasks, while the latter captures graph structure much better -- yet, no existing work can achieve both simultaneously. In this paper, we identify three key desirable properties of a GFM: self-supervised pretraining, fluidity in tasks, and graph awareness. To account for these properties, we extend the conventional language modeling to the graph domain and propose a novel generative graph language model GOFA to solve the problem. The model interleaves randomly initialized GNN layers into a frozen pre-trained LLM so that the semantic and structural modeling abilities are organically combined. GOFA is pre-trained on newly proposed graph-level next-word prediction, question-answering, and structural tasks to obtain the above GFM properties. The pre-trained model is further fine-tuned on downstream tasks to obtain task-solving ability. The fine-tuned model is evaluated on various downstream tasks, demonstrating a strong ability to solve structural and contextual problems in zero-shot scenarios. The code is available at https://github.com/JiaruiFeng/GOFA.
Differentially private optimization for non-decomposable objective functions
Venue: Conference ICLR 2025
Year: 2025

Unsupervised pre-training is a common step in developing computer vision models and large language models. In this setting, the absence of labels requires the use of similarity-based loss functions, such as contrastive loss, that favor minimizing the distance between similar inputs and maximizing the distance between distinct inputs. As privacy concerns mount, training these models using differential privacy has become more important. However, due to how inputs are generated for these losses, one of their undesirable properties is that their $L_2$ sensitivity grows with the batch size. This property is particularly disadvantageous for differentially private training methods, such as DP-SGD. To overcome this issue, we develop a new DP-SGD variant for similarity based loss functions -- in particular, the commonly-used contrastive loss -- that manipulates gradients of the objective function in a novel way to obtain a sensitivity of the summed gradient that is $O(1)$ for batch size $n$. We test our DP-SGD variant on some CIFAR-10 pre-training and CIFAR-100 finetuning tasks and show that, in both tasks, our method's performance comes close to that of a non-private model and generally outperforms DP-SGD applied directly to the contrastive loss.
A Computational Framework for Modeling Emergence of Color Vision in the Human Brain
Venue: Conference ICLR 2025
Year: 2025

It is a mystery how the brain decodes color vision purely from the optic nerve signals it receives, with a core inferential challenge being how it disentangles internal perception with the correct color dimensionality from the unknown encoding properties of the eye. In this paper, we introduce a computational framework for modeling this emergence of human color vision by simulating both the eye and the cortex. Existing research often overlooks how the cortex develops color vision or represents color space internally, assuming that the color dimensionality is known a priori; however, we argue that the visual cortex has the capability and the challenge of inferring the color dimensionality purely from fluctuations in the optic nerve signals. To validate our theory, we introduce a simulation engine for biological eyes based on established vision science and generate optic nerve signals resulting from looking at natural images. Further, we propose a bio-plausible model of cortical learning based on self-supervised prediction of optic nerve signal fluctuations under natural eye motions. We show that this model naturally learns to generate color vision by disentangling retinal invariants from the sensory signals. When the retina contains N types of color photoreceptors, our simulation shows that N-dimensional color vision naturally emerges, verified through formal colorimetry. Using this framework, we also present the first simulation work that successfully boosts the color dimensionality, as observed in gene therapy on squirrel monkeys, and demonstrates the possibility of enhancing human color vision from 3D to 4D.
Dynamic Negative Guidance of Diffusion Models
Venue: Conference ICLR 2025
Year: 2025

Negative Prompting (NP) is widely utilized in diffusion models, particularly in text-to-image applications, to prevent the generation of undesired features. In this paper, we show that conventional NP is limited by the assumption of a constant guidance scale, which may lead to highly suboptimal results, or even complete failure, due to the non-stationarity and state-dependence of the reverse process. Based on this analysis, we derive a principled technique called Dynamic Negative Guidance, which relies on a near-optimal time and state dependent modulation of the guidance without requiring additional training. Unlike NP, negative guidance requires estimating the posterior class probability during the denoising process, which is achieved with limited additional computational overhead by tracking the discrete Markov Chain during the generative process. We evaluate the performance of DNG class-removal on MNIST and CIFAR10, where we show that DNG leads to higher safety, preservation of class balance and image quality when compared with baseline methods. Furthermore, we show that it is possible to use DNG with Stable Diffusion to obtain more accurate and less invasive guidance than NP.
DarkBench: Benchmarking Dark Patterns in Large Language Models
Venue: Conference ICLR 2025
Year: 2025

We introduce DarkBench, a comprehensive benchmark for detecting dark design patterns--manipulative techniques that influence user behavior--in interactions with large language models (LLMs). Our benchmark comprises 660 prompts across six categories: brand bias, user retention, sycophancy, anthropomorphism, harmful generation, and sneaking. We evaluate models from five leading companies (OpenAI, Anthropic, Meta, Mistral, Google) and find that some LLMs are explicitly designed to favor their developers' products and exhibit untruthful communication, among other manipulative behaviors. Companies developing LLMs should recognize and mitigate the impact of dark design patterns to promote more ethical AI.
Reinforcement Learning for Control of Non-Markovian Cellular Population Dynamics
Venue: Conference ICLR 2025
Year: 2025

Many organisms and cell types, from bacteria to cancer cells, exhibit a remarkable ability to adapt to fluctuating environments. Additionally, cells can leverage a memory of past environments to better survive previously-encountered stressors. From a control perspective, this adaptability poses significant challenges in driving cell populations toward extinction, and thus poses an open question with great clinical significance. In this work, we focus on drug dosing in cell populations exhibiting phenotypic plasticity. For specific dynamical models switching between resistant and susceptible states, exact solutions are known. However, when the underlying system parameters are unknown, and for complex memory-based systems, obtaining the optimal solution is currently intractable. To address this challenge, we apply reinforcement learning (RL) to identify informed dosing strategies to control cell populations evolving under novel non-Markovian dynamics. We find that model-free deep RL is able to recover exact solutions and control cell populations even in the presence of long-range temporal dynamics. To further test our approach in more realistic settings, we demonstrate robust RL-based control strategies in environments with measurement noise and dynamic memory strength.