Daily Papers

In large language model (LLM)-based recommendation systems, direct preference optimization (DPO) effectively aligns recommendations with user preferences, requiring multi-negative objective functions to leverage abundant implicit-feedback negatives and sharpen preference boundaries. However, our empirical analyses reveal a counterintuitive phenomenon, preference optimization collapse, where increasing the number of negative samples can lead to performance degradation despite a continuously decreasing training loss. We further theoretically demonstrate that this collapse arises from gradient suppression, caused by the dominance of easily discriminable negatives over boundary-critical negatives that truly define user preference boundaries. As a result, boundary-relevant signals are under-optimized, weakening the model's decision boundary. Motivated by these observations, we propose DynamicPO (Dynamic Preference Optimization), a lightweight and plug-and-play framework comprising two adaptive mechanisms: Dynamic Boundary Negative Selection, which identifies and prioritizes informative negatives near the model's decision boundary, and Dual-Margin Dynamic beta Adjustment, which calibrates optimization strength per sample according to boundary ambiguity. Extensive experiments on three public datasets show that DynamicPO effectively prevents optimization collapse and improves recommendation accuracy on multi-negative preference optimization methods, with negligible computational overhead. Our code and datasets are available at https://github.com/xingyuHuxingyu/DynamicPO.

Evolvability is an important feature that impacts the ability of evolutionary processes to find interesting novel solutions and to deal with changing conditions of the problem to solve. The estimation of evolvability is not straightforward and is generally too expensive to be directly used as selective pressure in the evolutionary process. Indirectly promoting evolvability as a side effect of other easier and faster to compute selection pressures would thus be advantageous. In an unbounded behavior space, it has already been shown that evolvable individuals naturally appear and tend to be selected as they are more likely to invade empty behavior niches. Evolvability is thus a natural byproduct of the search in this context. However, practical agents and environments often impose limits on the reach-able behavior space. How do these boundaries impact evolvability? In this context, can evolvability still be promoted without explicitly rewarding it? We show that Novelty Search implicitly creates a pressure for high evolvability even in bounded behavior spaces, and explore the reasons for such a behavior. More precisely we show that, throughout the search, the dynamic evaluation of novelty rewards individuals which are very mobile in the behavior space, which in turn promotes evolvability.

We present a Spatially Embedded Evolutionary Algorithm where robot individuals exist in a physically simulated 2D environment, must navigate to encounter potential mates, and compete for survival under various spatially-aware selection pressures. Using HyperNEAT evolved neural controllers for ARIEL gecko-inspired quadrupeds in MuJoCo, we investigate how spatial structure fundamentally alters evolutionary dynamics. Our experiments show a modest 4.9% difference in peak fitness between proximity-based and random pairing possibly within stochastic variation while combining spatial parent selection with stochastic death selection produces unstable population dynamics. We discover a continuous phase transition in energy-based selection experiments, with critical zone count separating extinction-dominated and explosion-dominated regimes. Our density-dependent death selection mechanism achieves 97% completion rates but causes fitness decline, revealing a fundamental dilemma where decoupled mechanisms produce bistable dynamics, positively coupled mechanisms create counter-selection pressures, and only deterministic fitness-based selection maintains stability. These findings provide important constraints for future spatial EA design.

We derive an expression for the variation between parallel trajectories in phenotypic evolution, extending the well known result that predicts the mean evolutionary path in adaptive dynamics or quantitative genetics. We show how this expression gives rise to the notion of fluctuation domains - parts of the fitness landscape where the rate of evolution is very predictable (due to fluctuation dissipation) and parts where it is highly variable (due to fluctuation enhancement). These fluctuation domains are determined by the curvature of the fitness landscape. Regions of the fitness landscape with positive curvature, such as adaptive valleys or branching points, experience enhancement. Regions with negative curvature, such as adaptive peaks, experience dissipation. We explore these dynamics in the ecological scenarios of implicit and explicit competition for a limiting resource.

The concept of negative prompts, emerging from conditional generation models like Stable Diffusion, allows users to specify what to exclude from the generated images.%, demonstrating significant practical efficacy. Despite the widespread use of negative prompts, their intrinsic mechanisms remain largely unexplored. This paper presents the first comprehensive study to uncover how and when negative prompts take effect. Our extensive empirical analysis identifies two primary behaviors of negative prompts. Delayed Effect: The impact of negative prompts is observed after positive prompts render corresponding content. Deletion Through Neutralization: Negative prompts delete concepts from the generated image through a mutual cancellation effect in latent space with positive prompts. These insights reveal significant potential real-world applications; for example, we demonstrate that negative prompts can facilitate object inpainting with minimal alterations to the background via a simple adaptive algorithm. We believe our findings will offer valuable insights for the community in capitalizing on the potential of negative prompts.

Dynamic multi-objective optimization requires continuous tracking of moving Pareto fronts. Existing methods struggle with irregular mutations and data sparsity, primarily facing three challenges: the non-linear coupling of dynamic modes, negative transfer from outdated historical data, and the cold-start problem during environmental switches. To address these issues, this paper proposes a decoupled basis-vector-driven generative framework (DB-GEN). First, to resolve non-linear coupling, the framework employs the discrete wavelet transform to separate evolutionary trajectories into low-frequency trends and high-frequency details. Second, to mitigate negative transfer, it learns transferable basis vectors via sparse dictionary learning rather than directly memorizing historical instances. Recomposing these bases under a topology-aware contrastive constraint constructs a structured latent manifold. Finally, to overcome the cold-start problem, a surrogate-assisted search paradigm samples initial populations from this manifold. Pre-trained on 120 million solutions, DB-GEN performs direct online inference without retraining or fine-tuning. This zero-shot generation process executes in milliseconds, requiring approximately 0.2 seconds per environmental change. Experimental results demonstrate that DB-GEN improves tracking accuracy across various dynamic benchmarks compared to existing algorithms.

The study of hardest and easiest fitness landscapes is an active area of research. Recently, Kaufmann, Larcher, Lengler and Zou conjectured that for the self-adjusting (1,lambda)-EA, Adversarial Dynamic BinVal (ADBV) is the hardest dynamic monotone function to optimize. We introduce the function Switching Dynamic BinVal (SDBV) which coincides with ADBV whenever the number of remaining zeros in the search point is strictly less than n/2, where n denotes the dimension of the search space. We show, using a combinatorial argument, that for the (1+1)-EA with any mutation rate p in [0,1], SDBV is drift-minimizing among the class of dynamic monotone functions. Our construction provides the first explicit example of an instance of the partially-ordered evolutionary algorithm (PO-EA) model with parameterized pessimism introduced by Colin, Doerr and F\'erey, building on work of Jansen. We further show that the (1+1)-EA optimizes SDBV in Theta(n^{3/2}) generations. Our simulations demonstrate matching runtimes for both static and self-adjusting (1,lambda) and (1+lambda)-EA. We further show, using an example of fixed dimension, that drift-minimization does not equal maximal runtime.

Transfer learning has become a central paradigm in modern machine learning, yet it suffers from the long-standing problem of negative transfer, where leveraging source representations can harm rather than help performance on the target task. Although empirical remedies have been proposed, there remains little theoretical understanding of how to reliably avoid negative transfer. In this paper, we investigate a simple yet remarkably effective strategy: augmenting frozen, pretrained source-side features with a trainable target-side encoder that adapts target features to capture residual signals overlooked by models pretrained on the source data. We show this residual feature integration strategy is sufficient to provably prevent negative transfer, by establishing theoretical guarantees that it has no worse convergence rate than training from scratch under the informative class of target distributions up to logarithmic factors, and that the convergence rate can transition seamlessly from nonparametric to near-parametric when source representations are informative. To our knowledge, this is the first theoretical work that ensures protection against negative transfer. We carry out extensive numerical experiments across image, text and tabular benchmarks, and empirically verify that the method consistently safeguards performance under distribution shift, label noise, semantic perturbation, and class imbalance. We additionally demonstrate that this residual integration mechanism uniquely supports adapt-time multimodality extension, enabling a pretrained single-cell foundation model to incorporate spatial signals for lymph-node anatomical classification despite the source model being trained without them. Our study thus advances the theory of safe transfer learning, and provides a principled approach that is simple, robust, architecture-agnostic, and broadly applicable.

Dynamic feature selection, where we sequentially query features to make accurate predictions with a minimal budget, is a promising paradigm to reduce feature acquisition costs and provide transparency into a model's predictions. The problem is challenging, however, as it requires both predicting with arbitrary feature sets and learning a policy to identify valuable selections. Here, we take an information-theoretic perspective and prioritize features based on their mutual information with the response variable. The main challenge is implementing this policy, and we design a new approach that estimates the mutual information in a discriminative rather than generative fashion. Building on our approach, we then introduce several further improvements: allowing variable feature budgets across samples, enabling non-uniform feature costs, incorporating prior information, and exploring modern architectures to handle partial inputs. Our experiments show that our method provides consistent gains over recent methods across a variety of datasets.

Gradient-based algorithms are a cornerstone of artificial neural network training, yet it remains unclear whether biological neural networks use similar gradient-based strategies during learning. Experiments often discover a diversity of synaptic plasticity rules, but whether these amount to an approximation to gradient descent is unclear. Here we investigate a previously overlooked possibility: that learning dynamics may include fundamentally non-gradient "curl"-like components while still being able to effectively optimize a loss function. Curl terms naturally emerge in networks with inhibitory-excitatory connectivity or Hebbian/anti-Hebbian plasticity, resulting in learning dynamics that cannot be framed as gradient descent on any objective. To investigate the impact of these curl terms, we analyze feedforward networks within an analytically tractable student-teacher framework, systematically introducing non-gradient dynamics through neurons exhibiting rule-flipped plasticity. Small curl terms preserve the stability of the original solution manifold, resulting in learning dynamics similar to gradient descent. Beyond a critical value, strong curl terms destabilize the solution manifold. Depending on the network architecture, this loss of stability can lead to chaotic learning dynamics that destroy performance. In other cases, the curl terms can counterintuitively speed learning compared to gradient descent by allowing the weight dynamics to escape saddles by temporarily ascending the loss. Our results identify specific architectures capable of supporting robust learning via diverse learning rules, providing an important counterpoint to normative theories of gradient-based learning in neural networks.

Dynamical systems with complex behaviours, e.g. immune system cells interacting with a pathogen, are commonly modelled by splitting the behaviour into different regimes, or modes, each with simpler dynamics, and then learning the switching behaviour from one mode to another. Switching Dynamical Systems (SDS) are a powerful tool that automatically discovers these modes and mode-switching behaviour from time series data. While effective, these methods focus on independent objects, where the modes of one object are independent of the modes of the other objects. In this paper, we focus on the more general interacting object setting for switching dynamical systems, where the per-object dynamics also depends on an unknown and dynamically changing subset of other objects and their modes. To this end, we propose a novel graph-based approach for switching dynamical systems, GRAph Switching dynamical Systems (GRASS), in which we use a dynamic graph to characterize interactions between objects and learn both intra-object and inter-object mode-switching behaviour. We introduce two new datasets for this setting, a synthesized ODE-driven particles dataset and a real-world Salsa Couple Dancing dataset. Experiments show that GRASS can consistently outperforms previous state-of-the-art methods.

For image generation with diffusion models (DMs), a negative prompt n can be used to complement the text prompt p, helping define properties not desired in the synthesized image. While this improves prompt adherence and image quality, finding good negative prompts is challenging. We argue that this is due to a semantic gap between humans and DMs, which makes good negative prompts for DMs appear unintuitive to humans. To bridge this gap, we propose a new diffusion-negative prompting (DNP) strategy. DNP is based on a new procedure to sample images that are least compliant with p under the distribution of the DM, denoted as diffusion-negative sampling (DNS). Given p, one such image is sampled, which is then translated into natural language by the user or a captioning model, to produce the negative prompt n*. The pair (p, n*) is finally used to prompt the DM. DNS is straightforward to implement and requires no training. Experiments and human evaluations show that DNP performs well both quantitatively and qualitatively and can be easily combined with several DM variants.

In a convergence of machine learning and biology, we reveal that diffusion models are evolutionary algorithms. By considering evolution as a denoising process and reversed evolution as diffusion, we mathematically demonstrate that diffusion models inherently perform evolutionary algorithms, naturally encompassing selection, mutation, and reproductive isolation. Building on this equivalence, we propose the Diffusion Evolution method: an evolutionary algorithm utilizing iterative denoising -- as originally introduced in the context of diffusion models -- to heuristically refine solutions in parameter spaces. Unlike traditional approaches, Diffusion Evolution efficiently identifies multiple optimal solutions and outperforms prominent mainstream evolutionary algorithms. Furthermore, leveraging advanced concepts from diffusion models, namely latent space diffusion and accelerated sampling, we introduce Latent Space Diffusion Evolution, which finds solutions for evolutionary tasks in high-dimensional complex parameter space while significantly reducing computational steps. This parallel between diffusion and evolution not only bridges two different fields but also opens new avenues for mutual enhancement, raising questions about open-ended evolution and potentially utilizing non-Gaussian or discrete diffusion models in the context of Diffusion Evolution.

Generalizing policies across different domains with dynamics mismatch poses a significant challenge in reinforcement learning. For example, a robot learns the policy in a simulator, but when it is deployed in the real world, the dynamics of the environment may be different. Given the source and target domain with dynamics mismatch, we consider the online dynamics adaptation problem, in which case the agent can access sufficient source domain data while online interactions with the target domain are limited. Existing research has attempted to solve the problem from the dynamics discrepancy perspective. In this work, we reveal the limitations of these methods and explore the problem from the value difference perspective via a novel insight on the value consistency across domains. Specifically, we present the Value-Guided Data Filtering (VGDF) algorithm, which selectively shares transitions from the source domain based on the proximity of paired value targets across the two domains. Empirical results on various environments with kinematic and morphology shifts demonstrate that our method achieves superior performance compared to prior approaches.

Negative bias refers to the tendency of large language models (LLMs) to excessively generate negative responses in binary decision tasks (e.g., yes-no question answering). Previous research has focused on detecting and addressing negative attention heads that induce negative bias. However, the underlying detailed factors influencing negative bias remain underexplored. In this paper, we demonstrate that LLMs exhibit format-level negative bias, meaning the prompt format more influences their responses than the semantics of the negative response. For the fine-grained study of the negative bias, we introduce a pipeline for constructing the evaluation set, which systematically categorizes the dataset into three subsets based on the model's parametric knowledge: correct, incorrect, and insufficient relevant knowledge. Through analysis of this evaluation set, we identify a shortcut behavior in which models tend to generate negative responses when they lack sufficient knowledge to answer a yes-no question, leading to negative bias. We further examine how negative bias changes under various prompting scenarios related to parametric knowledge. We observe that providing relevant context and offering an "I don't know" option generally reduces negative bias, whereas chain-of-thought prompting tends to amplify the bias. Finally, we demonstrate that the degree of negative bias can vary depending on the type of prompt, which influences the direction of the response. Our work reveals the various factors that influence negative bias, providing critical insights for mitigating it in LLMs.

Despite the prevalence of recent success in learning from static graphs, learning from time-evolving graphs remains an open challenge. In this work, we design new, more stringent evaluation procedures for link prediction specific to dynamic graphs, which reflect real-world considerations, to better compare the strengths and weaknesses of methods. First, we create two visualization techniques to understand the reoccurring patterns of edges over time and show that many edges reoccur at later time steps. Based on this observation, we propose a pure memorization baseline called EdgeBank. EdgeBank achieves surprisingly strong performance across multiple settings because easy negative edges are often used in the current evaluation setting. To evaluate against more difficult negative edges, we introduce two more challenging negative sampling strategies that improve robustness and better match real-world applications. Lastly, we introduce six new dynamic graph datasets from a diverse set of domains missing from current benchmarks, providing new challenges and opportunities for future research. Our code repository is accessible at https://github.com/fpour/DGB.git.

Feature selection helps reduce data acquisition costs in ML, but the standard approach is to train models with static feature subsets. Here, we consider the dynamic feature selection (DFS) problem where a model sequentially queries features based on the presently available information. DFS is often addressed with reinforcement learning, but we explore a simpler approach of greedily selecting features based on their conditional mutual information. This method is theoretically appealing but requires oracle access to the data distribution, so we develop a learning approach based on amortized optimization. The proposed method is shown to recover the greedy policy when trained to optimality, and it outperforms numerous existing feature selection methods in our experiments, thus validating it as a simple but powerful approach for this problem.

Machine learning models of cellular interaction dynamics hold promise for understanding cell behavior. Natural killer (NK) cell cytotoxicity is a prominent example of such interaction dynamics and is commonly studied using time-resolved multi-channel fluorescence microscopy. Although tumor cell death events can be annotated at single frames, NK cytotoxic outcome emerges over time from cellular interactions and cannot be reliably inferred from frame-wise classification alone. We introduce BLINK, a trajectory-based recurrent state-space model that serves as a cell world model for NK-tumor interactions. BLINK learns latent interaction dynamics from partially observed NK-tumor interaction sequences and predicts apoptosis increments that accumulate into cytotoxic outcomes. Experiments on long-term time-lapse NK-tumor recordings show improved cytotoxic outcome detection and enable forecasting of future outcomes, together with an interpretable latent representation that organizes NK trajectories into coherent behavioral modes and temporally structured interaction phases. BLINK provides a unified framework for quantitative evaluation and structured modeling of NK cytotoxic behavior at the single-cell level.

Signed networks allow us to model conflicting relationships and interactions, such as friend/enemy and support/oppose. These signed interactions happen in real-time. Modeling such dynamics of signed networks is crucial to understanding the evolution of polarization in the network and enabling effective prediction of the signed structure (i.e., link signs and signed weights) in the future. However, existing works have modeled either (static) signed networks or dynamic (unsigned) networks but not dynamic signed networks. Since both sign and dynamics inform the graph structure in different ways, it is non-trivial to model how to combine the two features. In this work, we propose a new Graph Neural Network (GNN)-based approach to model dynamic signed networks, named SEMBA: Signed link's Evolution using Memory modules and Balanced Aggregation. Here, the idea is to incorporate the signs of temporal interactions using separate modules guided by balance theory and to evolve the embeddings from a higher-order neighborhood. Experiments on 4 real-world datasets and 4 different tasks demonstrate that SEMBA consistently and significantly outperforms the baselines by up to 80% on the tasks of predicting signs of future links while matching the state-of-the-art performance on predicting the existence of these links in the future. We find that this improvement is due specifically to the superior performance of SEMBA on the minority negative class.

Many natural dynamic processes -- such as in vivo cellular differentiation or disease progression -- can only be observed through the lens of static sample snapshots. While challenging, reconstructing their temporal evolution to decipher underlying dynamic properties is of major interest to scientific research. Existing approaches enable data transport along a temporal axis but are poorly scalable in high dimension and require restrictive assumptions to be met. To address these issues, we propose \textbf{Multi-Marginal temporal Schr\"odinger Bridge Matching} (MMtSBM) for video generation from unpaired data, extending the theoretical guarantees and empirical efficiency of Diffusion Schr\"odinger Bridge Matching (arXiv:archive/2303.16852) by deriving the Iterative Markovian Fitting algorithm to multiple marginals in a novel factorized fashion. Experiments show that MMtSBM retains theoretical properties on toy examples, achieves state-of-the-art performance on real world datasets such as transcriptomic trajectory inference in 100 dimensions, and for the first time recovers couplings and dynamics in very high dimensional image settings. Our work establishes multi-marginal Schr\"odinger bridges as a practical and principled approach for recovering hidden dynamics from static data.

This paper presents a reinforced genetic approach to a defined d-resource system optimization problem. The classical evolution schema was ineffective due to a very strict feasibility function in the studied problem. Hence, the presented strategy has introduced several modifications and adaptations to standard genetic routines, e.g.: a migration operator which is an analogy to the biological random genetic drift.

Although text-to-image diffusion models have made significant strides in generating images from text, they are sometimes more inclined to generate images like the data on which the model was trained rather than the provided text. This limitation has hindered their usage in both 2D and 3D applications. To address this problem, we explored the use of negative prompts but found that the current implementation fails to produce desired results, particularly when there is an overlap between the main and negative prompts. To overcome this issue, we propose Perp-Neg, a new algorithm that leverages the geometrical properties of the score space to address the shortcomings of the current negative prompts algorithm. Perp-Neg does not require any training or fine-tuning of the model. Moreover, we experimentally demonstrate that Perp-Neg provides greater flexibility in generating images by enabling users to edit out unwanted concepts from the initially generated images in 2D cases. Furthermore, to extend the application of Perp-Neg to 3D, we conducted a thorough exploration of how Perp-Neg can be used in 2D to condition the diffusion model to generate desired views, rather than being biased toward the canonical views. Finally, we applied our 2D intuition to integrate Perp-Neg with the state-of-the-art text-to-3D (DreamFusion) method, effectively addressing its Janus (multi-head) problem. Our project page is available at https://Perp-Neg.github.io/

A central statistical problem in population genetics is to infer evolutionary and biological parameters such as the strength of natural selection and allele age from DNA samples extracted from a contemporary population. That all samples come only from the present-day has long been known to limit statistical inference; there is potentially more information available if one also has access to ancient DNA so that inference is based on a time-series of historical changes in allele frequencies. We introduce a Markov Chain Monte Carlo (MCMC) method for Bayesian inference from allele frequency time-series data based on an underlying Wright--Fisher diffusion model of evolution, through which one can infer the parameters of essentially any selection model including those with frequency-dependent effects. The chief novelty is that we show this method to be exact in the sense that it is possible to augment the state space explored by MCMC with the unobserved diffusion trajectory, even though the transition function of this diffusion is intractable. Through careful design of a proposal distribution, we describe an efficient method in which updates to the trajectory and accept/reject decisions are calculated without error. We illustrate the method on data capturing changes in coat colour over the past 20,000 years, and find evidence to support previous findings that the mutant alleles ASIP and MC1R responsible for changes in coat color have experienced very strong, possibly overdominant, selection and further provide estimates for the ages of these genes.

Achieving robust coordination and cooperation is a central challenge in multi-agent reinforcement learning (MARL). Uncovering the mechanisms underlying such emergent behaviors calls for a dynamical understanding of learn processes. In this work, we investigate the dynamics of actor-critic agents in stochastic games, focusing on the impact of entropy regularization. By leveraging time-scale separation, we derive the system's evolution equations, which are then formally analyzed using dynamical systems theory. We find that in the constant-sum game of Matching Pennies, the system exhibits chaotic behavior. Entropy regularization mitigates this chaos and drives the dynamics toward convergence to fair cooperation. In contrast, in the general-sum game of the Prisoner's Dilemma, the system displays multistability. Interestingly, the three stable equilibria of the system correspond to the well-known ALLC (Always Cooperate), ALLD (Always Defect), and GRIM (Grim Trigger) strategies from evolutionary game theory (EGT). Entropy regularization strengthens system resilience by enlarging the basin of attraction of the cooperative equilibrium. Our findings reveal a close link between the mechanism of direct reciprocity in EGT and how cooperation emerges in MARL, offering insights for designing more robust and collaborative multi-agent systems.

Recent advances in reasoning language models have witnessed a paradigm shift from short to long CoT pattern. Given the substantial computational cost of rollouts in long CoT models, maximizing the utility of fixed training datasets becomes crucial. Our analysis reveals that negative responses contain valuable components such as self-reflection and error-correction steps, yet primary existing methods either completely discard negative samples (RFT) or apply equal penalization across all tokens (RL), failing to leverage these potential learning signals. In light of this, we propose Behavior Constrained Policy Gradient with Negative Sample Augmentation (BCPG-NSA), a fine-grained offline RL framework that encompasses three stages: 1) sample segmentation, 2) consensus-based step correctness assessment combining LLM and PRM judgers, and 3) policy optimization with NSA designed to effectively mine positive steps within negative samples. Experimental results show that BCPG-NSA outperforms baselines on several challenging math/coding reasoning benchmarks using the same training dataset, achieving improved sample efficiency and demonstrating robustness and scalability when extended to multiple iterations.

We introduce Tadpole, a novel foundation model for three-dimensional partial differential equations (PDEs) that addresses key challenges in transferability, scalability to high dimensionality, and multi-functionality. Tadpole is pre-trained as an autoencoder on synthetic 3D PDE data generated by an efficient online data-generation framework. This enables large-scale, diverse training without storage or I/O overhead, demonstrated by scaling to an equivalent of hundreds of terabytes of training data. By autoencoding single-channel spatial crops, Tadpole learns rich and transferable representations across heterogeneous physical systems with varying numbers of state variables and spatial resolutions. Although pre-trained solely as an autoencoder, Tadpole can be efficiently applied for multiple downstream tasks beyond reconstruction, including dynamics learning and generative modeling. For dynamics learning, we propose a novel parameter-efficient fine-tuning strategy that integrates low-rank adaptation, latent-space transformations, and reintroduced skip connections, achieving accurate temporal modeling with a minimal number of trainable parameters. Tadpole demonstrates strong fine-tuning performance across various downstream tasks, highlighting its versatility and effectiveness as a foundation model for 3D PDE learning. Source code and pre-trained weights of Tadpole are available at https://github.com/tum-pbs/tadpole

LLM-based agents depend on effective tool-use policies to solve complex tasks, yet optimizing these policies remains challenging due to delayed supervision and the difficulty of credit assignment in long-horizon trajectories. Existing optimization approaches tend to be either monolithic, which are prone to entangling behaviors, or single-aspect, which ignore cross-module error propagation. To address these limitations, we propose EvoTool, a self-evolving framework that optimizes a modular tool-use policy via a gradient-free evolutionary paradigm. EvoTool decomposes agent's tool-use policy into four modules, including Planner, Selector, Caller, and Synthesizer, and iteratively improves them in a self-improving loop through three novel mechanisms. Trajectory-Grounded Blame Attribution uses diagnostic traces to localize failures to a specific module. Feedback-Guided Targeted Mutation then edits only that module via natural-language critique. Diversity-Aware Population Selection preserves complementary candidates to ensure solution diversity. Across four benchmarks, EvoTool outperforms strong baselines by over 5 points on both GPT-4.1 and Qwen3-8B, while achieving superior efficiency and transferability. The code will be released once paper is accepted.

Some fractals -- for instance those associated with the Mandelbrot and quadratic Julia sets -- are computed by iterating a function, and identifying the boundary between hyperparameters for which the resulting series diverges or remains bounded. Neural network training similarly involves iterating an update function (e.g. repeated steps of gradient descent), can result in convergent or divergent behavior, and can be extremely sensitive to small changes in hyperparameters. Motivated by these similarities, we experimentally examine the boundary between neural network hyperparameters that lead to stable and divergent training. We find that this boundary is fractal over more than ten decades of scale in all tested configurations.

Large Language Models (LLMs) have become integral to a wide spectrum of applications, ranging from traditional computing tasks to advanced artificial intelligence (AI) applications. This widespread adoption has spurred extensive research into LLMs across various disciplines, including the social sciences. Notably, studies have revealed that LLMs possess emotional intelligence, which can be further developed through positive emotional stimuli. This discovery raises an intriguing question: can negative emotions similarly influence LLMs, potentially enhancing their performance? In response to this question, we introduce NegativePrompt, a novel approach underpinned by psychological principles, involving ten specifically designed negative emotional stimuli. We embark on rigorous experimental evaluations of five LLMs including Flan-T5-Large, Vicuna, Llama 2, ChatGPT, and GPT-4, across a set of 45 tasks. The results are revealing: NegativePrompt markedly enhances the performance of LLMs, evidenced by relative improvements of 12.89% in Instruction Induction tasks and 46.25% in BIG-Bench tasks. Moreover, we conduct attention visualization experiments to decipher the underlying mechanisms of NegativePrompt's influence. Our research contributes significantly to the understanding of LLMs and emotion interaction, demonstrating the practical efficacy of NegativePrompt as an emotion-driven method and offering novel insights for the enhancement of LLMs in real-world applications. The code is available at https://github.com/wangxu0820/NegativePrompt.

Not all positive pairs are beneficial to time series contrastive learning. In this paper, we study two types of bad positive pairs that can impair the quality of time series representation learned through contrastive learning: the noisy positive pair and the faulty positive pair. We observe that, with the presence of noisy positive pairs, the model tends to simply learn the pattern of noise (Noisy Alignment). Meanwhile, when faulty positive pairs arise, the model wastes considerable amount of effort aligning non-representative patterns (Faulty Alignment). To address this problem, we propose a Dynamic Bad Pair Mining (DBPM) algorithm, which reliably identifies and suppresses bad positive pairs in time series contrastive learning. Specifically, DBPM utilizes a memory module to dynamically track the training behavior of each positive pair along training process. This allows us to identify potential bad positive pairs at each epoch based on their historical training behaviors. The identified bad pairs are subsequently down-weighted through a transformation module, thereby mitigating their negative impact on the representation learning process. DBPM is a simple algorithm designed as a lightweight plug-in without learnable parameters to enhance the performance of existing state-of-the-art methods. Through extensive experiments conducted on four large-scale, real-world time series datasets, we demonstrate DBPM's efficacy in mitigating the adverse effects of bad positive pairs.

Causal discovery for dynamical systems poses a major challenge in fields where active interventions are infeasible. Most methods used to investigate these systems and their associated benchmarks are tailored to deterministic, low-dimensional and weakly nonlinear time-series data. To address these limitations, we present CausalDynamics, a large-scale benchmark and extensible data generation framework to advance the structural discovery of dynamical causal models. Our benchmark consists of true causal graphs derived from thousands of coupled ordinary and stochastic differential equations as well as two idealized climate models. We perform a comprehensive evaluation of state-of-the-art causal discovery algorithms for graph reconstruction on systems with noisy, confounded, and lagged dynamics. CausalDynamics consists of a plug-and-play, build-your-own coupling workflow that enables the construction of a hierarchy of physical systems. We anticipate that our framework will facilitate the development of robust causal discovery algorithms that are broadly applicable across domains while addressing their unique challenges. We provide a user-friendly implementation and documentation on https://kausable.github.io/CausalDynamics.

Natural language inference (NLI) is critical for complex decision-making in biomedical domain. One key question, for example, is whether a given biomedical mechanism is supported by experimental evidence. This can be seen as an NLI problem but there are no directly usable datasets to address this. The main challenge is that manually creating informative negative examples for this task is difficult and expensive. We introduce a novel semi-supervised procedure that bootstraps an NLI dataset from existing biomedical dataset that pairs mechanisms with experimental evidence in abstracts. We generate a range of negative examples using nine strategies that manipulate the structure of the underlying mechanisms both with rules, e.g., flip the roles of the entities in the interaction, and, more importantly, as perturbations via logical constraints in a neuro-logical decoding system. We use this procedure to create a novel dataset for NLI in the biomedical domain, called BioNLI and benchmark two state-of-the-art biomedical classifiers. The best result we obtain is around mid 70s in F1, suggesting the difficulty of the task. Critically, the performance on the different classes of negative examples varies widely, from 97% F1 on the simple role change negative examples, to barely better than chance on the negative examples generated using neuro-logic decoding.

Is the lottery ticket phenomenon an idiosyncrasy of gradient-based training or does it generalize to evolutionary optimization? In this paper we establish the existence of highly sparse trainable initializations for evolution strategies (ES) and characterize qualitative differences compared to gradient descent (GD)-based sparse training. We introduce a novel signal-to-noise iterative pruning procedure, which incorporates loss curvature information into the network pruning step. This can enable the discovery of even sparser trainable network initializations when using black-box evolution as compared to GD-based optimization. Furthermore, we find that these initializations encode an inductive bias, which transfers across different ES, related tasks and even to GD-based training. Finally, we compare the local optima resulting from the different optimization paradigms and sparsity levels. In contrast to GD, ES explore diverse and flat local optima and do not preserve linear mode connectivity across sparsity levels and independent runs. The results highlight qualitative differences between evolution and gradient-based learning dynamics, which can be uncovered by the study of iterative pruning procedures.

Dynamic model pruning is a recent direction that allows for the inference of a different sub-network for each input sample during deployment. However, current dynamic methods rely on learning a continuous channel gating through regularization by inducing sparsity loss. This formulation introduces complexity in balancing different losses (e.g task loss, regularization loss). In addition, regularization based methods lack transparent tradeoff hyperparameter selection to realize a computational budget. Our contribution is two-fold: 1) decoupled task and pruning losses. 2) Simple hyperparameter selection that enables FLOPs reduction estimation before training. Inspired by the Hebbian theory in Neuroscience: "neurons that fire together wire together", we propose to predict a mask to process k filters in a layer based on the activation of its previous layer. We pose the problem as a self-supervised binary classification problem. Each mask predictor module is trained to predict if the log-likelihood for each filter in the current layer belongs to the top-k activated filters. The value k is dynamically estimated for each input based on a novel criterion using the mass of heatmaps. We show experiments on several neural architectures, such as VGG, ResNet and MobileNet on CIFAR and ImageNet datasets. On CIFAR, we reach similar accuracy to SOTA methods with 15% and 24% higher FLOPs reduction. Similarly in ImageNet, we achieve lower drop in accuracy with up to 13% improvement in FLOPs reduction.

Neural networks acquire structured representations at specific moments during training, yet identifying these transitions typically relies on retrospective, label-dependent metrics. We introduce a bifurcation theory of representation dynamics to detect these moments in real time. Analyzing a passive GMM probe attached to the evolving encoder, we show the onset of structure corresponds to a supercritical pitchfork bifurcation driven by the loss Hessian. The system exhibits a theoretically predictable zero-crossing (β_c) that, compared to the network's current state (β), yields a dynamic ratio β(t)/β_c(t): a universal, label-free phase coordinate for representation dynamics, computable entirely from hidden states. We empirically validate four distinct transition regimes predicted by this coordinate across diverse settings: SAEs on language models (Pythia), SSL (CIFAR), and grokking (modular arithmetic). Crucially, under finite dissipation, macroscopic symmetry-breaking can lag the initial zero-crossing by orders of magnitude, which providing a rigorous dynamical account of the delayed escape observed in grokking. Microscopically, the bifurcation creates a shared unstable subspace, forcing collective symmetry breaking. We term this the "feature lottery" in SAE training: a feature's terminal interpretability becomes predictable remarkably early. By only 5% of training, early atom purity robustly predicts final convergence purity, with top-decile early atoms achieving over 12x the baseline purity at convergence. Beyond explaining concept emergence, β/β_c provides a practical early-warning indicator for training health, detecting the onset of usable structure, the crystallization of feature identity, and representational collapse epochs before downstream metrics react.

Predicting how a cell will change its transcriptional state under a developmental signal or a genetic perturbation is the computational core of in-silico biology and the AI Virtual Cell program. Existing approaches either fit static control-to-treated maps that discard time, or solve multi-step ODE / Schrödinger-bridge problems on each dataset independently. We introduce Chreode, a one-step cell world model that predicts action-conditioned cell-state transitions through a structured residual transition operator. It shifts distributional evolution from inference time to training time, enabling single-pass generation while preserving a Waddington-inspired decomposition into downhill landscape flow, rotational in-tangent dynamics, and stochastic spread. The model is pretrained with a shared scVI encoder and a DiT-based dynamics backbone on a 2.4M-cell mouse embryonic atlas spanning 7 datasets. As a fine-tuning initialization, Chreode improves per-target Sinkhorn distance on Weinreb hematopoiesis and Veres islet differentiation over matched scratch models, PI-SDE, and PRESCIENT. As a transferable gene-state embedding for GEARS, the pretrained dynamics representation reduces shared-vocabulary DE20 mean squared error on Norman Perturb-seq from 0.2121 to 0.1858, a 12.4% relative improvement, without changing the GEARS training procedure. We interpret this transfer to perturbation prediction as evidence that pretrained developmental-trajectory dynamics encode differentiation primitives transferable to CRISPR-induced state shifts, since both involve cell-state transitions in a shared latent geometry. The pretrained backbone additionally produces zero-shot clonal fate scores on Weinreb that are competitive with strong dynamic-OT baselines.

Cells that collide with each other repolarize away from contact, in a process called contact inhibition of locomotion (CIL), which is necessary for correct development of the embryo. CIL can occur even when cells make a micron-scale contact with a neighbor - much smaller than their size. How precisely can a cell sense cell-cell contact and repolarize in the correct direction? What factors control whether a cell recognizes it has contacted a neighbor? We propose a theoretical model for the limits of CIL where cells recognize the presence of another cell by binding the protein ephrin with the Eph receptor. This recognition is made difficult by the presence of interfering ligands that bind nonspecifically. Both theoretical predictions and simulation results show that it becomes more difficult to sense cell-cell contact when it is difficult to distinguish ephrin from the interfering ligands, or when there are more interfering ligands, or when the contact width decreases. However, the error of estimating contact position remains almost constant when the contact width changes. This happens because the cell gains spatial information largely from the boundaries of cell-cell contact. We study using statistical decision theory the likelihood of a false positive CIL event in the absence of cell-cell contact, and the likelihood of a false negative where CIL does not occur when another cell is present. Our results suggest that the cell is more likely to make incorrect decisions when the contact width is very small or so large that it nears the cell's perimeter. However, in general, we find that cells have the ability to make reasonably reliable CIL decisions even for very narrow (micron-scale) contacts, even if the concentration of interfering ligands is ten times that of the correct ligands.

Regulatory institutions (from content moderation platforms to financial supervisors) observe, deliberate, and intervene only after a characteristic delay. We ask whether this processing lag alone can destabilize a multi-agent system that would otherwise remain stable, without exogenous shocks, coordination among agents, or malicious actors. We study this question in two stages. First, we analyze a delayed replicator equation in which autonomous agents receive a benefit from radical behavior but face punishment based on a lagged institutional alarm signal. We derive a closed-form critical delay threshold beyond which the unique interior equilibrium loses stability through a Hopf bifurcation, and prove via center manifold reduction that the bifurcation is supercritical (producing bounded oscillations, not explosive growth) for the entire sigmoid response-function family. Second, we embed N=240 agents on a network and equip them with reinforcement learning (tabular Q-learning), comparing three decision architectures in a factorial design: non-reactive agents (fixed policy), reactive agents (threshold heuristic without memory), and Q-learning agents (adaptive with cumulative value estimates). The results reveal a hierarchy opposite to the naive expectation that learning amplifies instability: non-reactive agents are immune to delay (0% runaway across all tested values), reactive agents collapse catastrophically (96% runaway by delay geq 8 steps), and Q-learning agents achieve partial resilience (66% runaway at delay = 20). The destabilizing ingredient is reactivity to delayed signals: agents that immediately exploit low-alarm windows trigger oscillatory feedback loops. Learning buffers this through implicit punishment memory encoded in Q-values

Large language models (LLMs) are increasingly used to evolve programs and multi-agent systems, yet most existing approaches rely on overwrite-based mutations that maintain only a single candidate at a time. Such methods discard useful variants, suffer from destructive edits, and explore a brittle search space prone to structural failure. We introduce EvoLattice, a framework that represents an entire population of candidate programs or agent behaviors within a single directed acyclic graph. Each node stores multiple persistent alternatives, and every valid path through the graph defines a distinct executable candidate, yielding a large combinatorial search space without duplicating structure. EvoLattice enables fine-grained alternative-level evaluation by scoring each alternative across all paths in which it appears, producing statistics that reveal how local design choices affect global performance. These statistics provide a dense, data-driven feedback signal for LLM-guided mutation, recombination, and pruning, while preserving successful components. Structural correctness is guaranteed by a deterministic self-repair mechanism that enforces acyclicity and dependency consistency independently of the LLM. EvoLattice naturally extends to agent evolution by interpreting alternatives as prompt fragments or sub-agent behaviors. Across program synthesis (proxy and optimizer meta-learning), EvoLattice yields more stable evolution, greater expressivity, and stronger improvement trajectories than prior LLM-guided methods. The resulting dynamics resemble quality-diversity optimization, emerging implicitly from EvoLattice's internal multi-alternative representation rather than an explicit external archive.

Brain-to-image decoding has been recently propelled by the progress in generative AI models and the availability of large ultra-high field functional Magnetic Resonance Imaging (fMRI). However, current approaches depend on complicated multi-stage pipelines and preprocessing steps that typically collapse the temporal dimension of brain recordings, thereby limiting time-resolved brain decoders. Here, we introduce Dynadiff (Dynamic Neural Activity Diffusion for Image Reconstruction), a new single-stage diffusion model designed for reconstructing images from dynamically evolving fMRI recordings. Our approach offers three main contributions. First, Dynadiff simplifies training as compared to existing approaches. Second, our model outperforms state-of-the-art models on time-resolved fMRI signals, especially on high-level semantic image reconstruction metrics, while remaining competitive on preprocessed fMRI data that collapse time. Third, this approach allows a precise characterization of the evolution of image representations in brain activity. Overall, this work lays the foundation for time-resolved brain-to-image decoding.

Test-Time Reinforcement Learning (TTRL) enables Large Language Models (LLMs) to enhance reasoning capabilities on unlabeled test streams by deriving pseudo-rewards from majority voting consensus. However, existing TTRL methods rely exclusively on positive pseudo-labeling strategies. Such reliance becomes vulnerable under challenging scenarios where answer distributions are highly dispersed, resulting in weak consensus that inadvertently reinforces incorrect trajectories as supervision signals. In this paper, we propose SCRL (Selective-Complementary Reinforcement Learning), a robust test-time reinforcement learning framework that effectively mitigates label noise amplification. SCRL develops Selective Positive Pseudo-Labeling, which enforces strict consensus criteria to filter unreliable majorities. Complementarily, SCRL introduces Entropy-Gated Negative Pseudo-Labeling, the first negative supervision mechanism in TTRL, to reliably prune incorrect trajectories based on generation uncertainty. Extensive experiments on multiple reasoning benchmarks demonstrate that SCRL achieves substantial improvements over baselines, while maintaining robust generalization and training stability under constrained rollout budgets. Our code is available at https://github.com/Jasper-Yan/SCRL.

The emerging field of Diverse Intelligence seeks to identify, formalize, and understand commonalities in behavioral competencies across a wide range of implementations. Especially interesting are simple systems that provide unexpected examples of memory, decision-making, or problem-solving in substrates that at first glance do not appear to be complex enough to implement such capabilities. We seek to develop tools to help understand the minimal requirements for such capabilities, and to learn to recognize and predict basal forms of intelligence in unconventional substrates. Here, we apply novel analyses to the behavior of classical sorting algorithms, short pieces of code which have been studied for many decades. To study these sorting algorithms as a model of biological morphogenesis and its competencies, we break two formerly-ubiquitous assumptions: top-down control (instead, showing how each element within a array of numbers can exert minimal agency and implement sorting policies from the bottom up), and fully reliable hardware (instead, allowing some of the elements to be "damaged" and fail to execute the algorithm). We quantitatively characterize sorting activity as the traversal of a problem space, showing that arrays of autonomous elements sort themselves more reliably and robustly than traditional implementations in the presence of errors. Moreover, we find the ability to temporarily reduce progress in order to navigate around a defect, and unexpected clustering behavior among the elements in chimeric arrays whose elements follow one of two different algorithms. The discovery of emergent problem-solving capacities in simple, familiar algorithms contributes a new perspective to the field of Diverse Intelligence, showing how basal forms of intelligence can emerge in simple systems without being explicitly encoded in their underlying mechanics.

Search has been proposed as an effective method for self-improving language models and agentic systems, both for post-training sample generation and for inference. However, widely used methods such as best-of-N sampling and tree search face two fundamental limitations: they are guided by sparse verification signals, and they construct candidates primarily through autoregressive expansion, restricting exploration to regions with substantial model probability mass. To address these, we propose Bidirectional Evolutionary Search (BES), a search framework that couples forward candidate evolution with backward goal decomposition. In the forward search, BES augments standard expansion with evolution operators that recombine partial trajectories to generate candidates that are difficult to obtain from a single model rollout. In the backward search, BES recursively decomposes the original task into checkable subgoals, producing dense intermediate feedback that guides forward search. We provide theoretical motivation showing that candidates generated by expansion-only search are confined to a narrow entropy shell while evolutionary operators can escape it, and that backward search can exponentially reduce the number of required samples to find a correct answer. Experiments show that on challenging post-training tasks where mainstream post-training algorithms fail to improve, BES enables consistent gains, and on three open problem solving benchmarks at inference time, BES outperforms existing open-source frameworks in both average and best-case performance. Code and trained models are available at https://github.com/Embodied-Minds-Lab/BES.

The static synaptic connectivity of neuronal circuits stands in direct contrast to the dynamics of their function. As in changing community interactions, different neurons can participate actively in various combinations to effect behaviors at different times. We introduce an unsupervised approach to learn the dynamic affinities between neurons in live, behaving animals, and to reveal which communities form among neurons at different times. The inference occurs in two major steps. First, pairwise non-linear affinities between neuronal traces from brain-wide calcium activity are organized by non-negative tensor factorization (NTF). Each factor specifies which groups of neurons are most likely interacting for an inferred interval in time, and for which animals. Finally, a generative model that allows for weighted community detection is applied to the functional motifs produced by NTF to reveal a dynamic functional connectome. Since time codes the different experimental variables (e.g., application of chemical stimuli), this provides an atlas of neural motifs active during separate stages of an experiment (e.g., stimulus application or spontaneous behaviors). Results from our analysis are experimentally validated, confirming that our method is able to robustly predict causal interactions between neurons to generate behavior. Code is available at https://github.com/dyballa/dynamic-connectomes.

Recent research on Chain-of-Thought (CoT) reasoning in Large Language Models (LLMs) has demonstrated that agents can engage in complex, multi-turn negotiations, opening new avenues for agentic AI. However, existing LLM agents largely overlook the functional role of emotions in such negotiations, instead generating passive, preference-driven emotional responses that make them vulnerable to manipulation and strategic exploitation by adversarial counterparts. To address this gap, we present EvoEmo, an evolutionary reinforcement learning framework that optimizes dynamic emotional expression in negotiations. EvoEmo models emotional state transitions as a Markov Decision Process and employs population-based genetic optimization to evolve high-reward emotion policies across diverse negotiation scenarios. We further propose an evaluation framework with two baselines -- vanilla strategies and fixed-emotion strategies -- for benchmarking emotion-aware negotiation. Extensive experiments and ablation studies show that EvoEmo consistently outperforms both baselines, achieving higher success rates, higher efficiency, and increased buyer savings. This findings highlight the importance of adaptive emotional expression in enabling more effective LLM agents for multi-turn negotiation.

This paper introduces a continuous-time stochastic dynamical framework for understanding how large language models (LLMs) may self-amplify latent biases or toxicity through their own chain-of-thought reasoning. The model posits an instantaneous "severity" variable x(t) in [0,1] evolving under a stochastic differential equation (SDE) with a drift term μ(x) and diffusion σ(x). Crucially, such a process can be consistently analyzed via the Fokker--Planck approach if each incremental step behaves nearly Markovian in severity space. The analysis investigates critical phenomena, showing that certain parameter regimes create phase transitions from subcritical (self-correcting) to supercritical (runaway severity). The paper derives stationary distributions, first-passage times to harmful thresholds, and scaling laws near critical points. Finally, it highlights implications for agents and extended LLM reasoning models: in principle, these equations might serve as a basis for formal verification of whether a model remains stable or propagates bias over repeated inferences.

Recent work such as AlphaEvolve has shown that combining LLM-driven optimization with evolutionary search can effectively improve programs, prompts, and algorithms across domains. In this paradigm, previously evaluated solutions are reused to guide the model toward new candidate solutions. Crucially, the effectiveness of this evolution process depends on the search strategy: how prior solutions are selected and varied to generate new candidates. However, most existing methods rely on fixed search strategies with predefined knobs (e.g., explore-exploit ratios) that remain static throughout execution. While effective in some settings, these approaches often fail to adapt across tasks, or even within the same task as the search space changes over time. We introduce EvoX, an adaptive evolution method that optimizes its own evolution process. EvoX jointly evolves candidate solutions and the search strategies used to generate them, continuously updating how prior solutions are selected and varied based on progress. This enables the system to dynamically shift between different search strategies during the optimization process. Across nearly 200 real-world optimization tasks, EvoX outperforms existing AI-driven evolutionary methods including AlphaEvolve, OpenEvolve, GEPA, and ShinkaEvolve on the majority of tasks.

We identify and formalize a fundamental gradient descent phenomenon resulting in a learning proclivity in over-parameterized neural networks. Gradient Starvation arises when cross-entropy loss is minimized by capturing only a subset of features relevant for the task, despite the presence of other predictive features that fail to be discovered. This work provides a theoretical explanation for the emergence of such feature imbalance in neural networks. Using tools from Dynamical Systems theory, we identify simple properties of learning dynamics during gradient descent that lead to this imbalance, and prove that such a situation can be expected given certain statistical structure in training data. Based on our proposed formalism, we develop guarantees for a novel regularization method aimed at decoupling feature learning dynamics, improving accuracy and robustness in cases hindered by gradient starvation. We illustrate our findings with simple and real-world out-of-distribution (OOD) generalization experiments.

Practitioners frequently aim to infer an unobserved population trajectory using sample snapshots at multiple time points. For instance, in single-cell sequencing, scientists would like to learn how gene expression evolves over time. But sequencing any cell destroys that cell. So we cannot access any cell's full trajectory, but we can access snapshot samples from many cells. Stochastic differential equations are commonly used to analyze systems with full individual-trajectory access; since here we have only sample snapshots, these methods are inapplicable. The deep learning community has recently explored using Schr\"odinger bridges (SBs) and their extensions to estimate these dynamics. However, these methods either (1) interpolate between just two time points or (2) require a single fixed reference dynamic within the SB, which is often just set to be Brownian motion. But learning piecewise from adjacent time points can fail to capture long-term dependencies. And practitioners are typically able to specify a model class for the reference dynamic but not the exact values of the parameters within it. So we propose a new method that (1) learns the unobserved trajectories from sample snapshots across multiple time points and (2) requires specification only of a class of reference dynamics, not a single fixed one. In particular, we suggest an iterative projection method inspired by Schr\"odinger bridges; we alternate between learning a piecewise SB on the unobserved trajectories and using the learned SB to refine our best guess for the dynamics within the reference class. We demonstrate the advantages of our method via a well-known simulated parametric model from ecology, simulated and real data from systems biology, and real motion-capture data.

For the evolutionary Stokes problem with dynamic boundary condition we show maximal regularity of weak solutions in time. Due to the characteriation of R-sectorial operators on Hilbert spaces, the proof reduces to finding the correct functional analytic setting and proving that an operator is sectorial, i.e. generates an analytic semigroup.

Existing sequence models, including RNNs, LSTMs, continuous-time networks, and Transformers, share a common structural principle: layer-wise dynamics, where all neurons in the same layer co-evolve through a shared parameterized operator, leaving individual neurons no freedom to evolve independently. Yet in many complex dynamical systems, rich global behavior emerges precisely from locally evolving units interacting through structured connectivity. Inspired by this principle, we introduce Topological Neural Dynamics (TND), a sequence modeling framework that shifts computation from layer-wise to neuron-wise dynamics. TND represents a neural system as a directed neuron graph, an interaction operator, and a local dynamics function, where each neuron evolves independently and collective computation emerges from interactions through the explicit graph topology. We instantiate TND as a discrete-time graph-coupled dynamical system and evaluate it as a case study on a behavior cloning task in single-player Pong. Compared with Vanilla RNN, Sparse RNN, LSTM, Closed-form continuous-time neural network (CfC), and Transformer baselines, TND achieves the best catch rate and a mean of 17.47 consecutive catches per round, more than three times that of the strongest baseline. These results suggest that shifting from layer-wise to neuron-wise dynamics provides an effective inductive bias for sequence modeling.

This chapter provides a pedagogical introduction and overview of spatial and temporal correlation and fluctuation effects resulting from the fundamentally stochastic kinetics underlying chemical reactions and the dynamics of populations or epidemics. After reviewing the assumptions and mean-field type approximations involved in the construction of chemical rate equations for uniform reactant densities, we first discuss spatial clustering in birth-death systems, where non-linearities are introduced through either density-limiting pair reactions, or equivalently via local imposition of finite carrying capacities. The competition of offspring production, death, and non-linear inhibition induces a population extinction threshold, which represents a non-equilibrium phase transition that separates active from absorbing states. This continuous transition is characterized by the universal scaling exponents of critical directed percolation clusters. Next we focus on the emergence of depletion zones in single-species annihilation processes and spatial population segregation with the associated reaction fronts in two-species pair annihilation. These strong (anti-)correlation effects are dynamically generated by the underlying stochastic kinetics. Finally, we address noise-induced and fluctuation-stabilized spatio-temporal patterns in basic predator-prey systems, exemplified by spreading activity fronts in the two-species Lotka-Volterra model as well as spiral structures in the May-Leonard variant of cyclically competing three-species systems akin to rock-paper-scissors games.

The realization that complex systems such as ecological communities can collapse or shift regimes suddenly and without rapid external forcing poses a serious challenge to our understanding and management of the natural world. The potential to identify early warning signals that would allow researchers and managers to predict such events before they happen has therefore been an invaluable discovery that offers a way forward in spite of such seemingly unpredictable behavior. Research into early warning signals has demonstrated that it is possible to define and detect such early warning signals in advance of a transition in certain contexts. Here we describe the pattern emerging as research continues to explore just how far we can generalize these results. A core of examples emerges that shares three properties: the phenomenon of rapid regime shifts, a pattern of 'critical slowing down' that can be used to detect the approaching shift, and a mechanism of bifurcation driving the sudden change. As research has expanded beyond these core examples, it is becoming clear that not all systems that show regime shifts exhibit critical slowing down, or vice versa. Even when systems exhibit critical slowing down, statistical detection is a challenge. We review the literature that explores these edge cases and highlight the need for (a) new early warning behaviors that can be used in cases where rapid shifts do not exhibit critical slowing down, (b) the development of methods to identify which behavior might be an appropriate signal when encountering a novel system; bearing in mind that a positive indication for some systems is a negative indication in others, and (c) statistical methods that can distinguish between signatures of early warning behaviors and noise.

While Multi-Agent Systems (MAS) are increasingly deployed for complex workflows, their emergent properties-particularly the accumulation of bias-remain poorly understood. Because real-world MAS are too complex to analyze entirely, evaluating their ethical robustness requires first isolating their foundational mechanics. In this work, we conduct a baseline empirical study investigating how basic MAS topologies and feedback loops influence prejudice. Contrary to the assumption that multi-agent collaboration naturally dilutes bias, we hypothesize that structured workflows act as echo chambers, amplifying minor stochastic biases into systemic polarization. To evaluate this, we introduce Discrim-Eval-Open, an open-ended benchmark that bypasses individual model neutrality through forced comparative judgments across demographic groups. Analyzing bias cascades across various structures reveals that architectural sophistication frequently exacerbates bias rather than mitigating it. We observe systemic amplification even when isolated agents operate neutrally, and identify a 'Trigger Vulnerability' where injecting purely objective context drastically accelerates polarization. By stripping away advanced swarm complexity to study foundational dynamics, we establish a crucial baseline: structural complexity does not guarantee ethical robustness. Our code is available at https://github.com/weizhihao1/MAS-Bias.

Learning domain adaptive policies that can generalize to unseen transition dynamics, remains a fundamental challenge in learning-based control. Substantial progress has been made through domain representation learning to capture domain-specific information, thus enabling domain-aware decision making. We analyze the process of learning domain representations through dynamical prediction and find that selecting contexts adjacent to the current step causes the learned representations to entangle static domain information with varying dynamical properties. Such mixture can confuse the conditioned policy, thereby constraining zero-shot adaptation. To tackle the challenge, we propose DADP (Domain Adaptive Diffusion Policy), which achieves robust adaptation through unsupervised disentanglement and domain-aware diffusion injection. First, we introduce Lagged Context Dynamical Prediction, a strategy that conditions future state estimation on a historical offset context; by increasing this temporal gap, we unsupervisedly disentangle static domain representations by filtering out transient properties. Second, we integrate the learned domain representations directly into the generative process by biasing the prior distribution and reformulating the diffusion target. Extensive experiments on challenging benchmarks across locomotion and manipulation demonstrate the superior performance, and the generalizability of DADP over prior methods. More visualization results are available on the https://outsider86.github.io/DomainAdaptiveDiffusionPolicy/.

All embodied agents are fundamentally patterns in physiological or other excitable media, blurring the distinction between objects and processes. Emergent patterns with complex behaviors, such as Gliders in the Game of Life and virtual patterns in Lenia, are powerful model systems in which to understand the properties and origins of behavioral traits in novel agents. To evaluate the behavior of patterns in Lenia, we introduce regions into their environment from which no sensory information is available - in effect, making creatures blind to parts of their surroundings. Complementing the conventional concept of infotaxis, we find that creatures tend to avoid these regions, a behavior we term agnosiophobia. To explain this behavior, we map each test creature's sensitivity to targeted occlusions and interpret the results in the language of dynamical systems. We observe Lenia creatures taking advantage of their freedom to change heading in order to achieve what appears to be a more fundamental goal: the preservation of their morphology. This work illustrates the beginning of an important roadmap to understand how emergent agents' behavioral propensities interact with the informational, not only tangible, topography of their world.

Diffusion models have shown promising generative capabilities across diverse domains, yet aligning their outputs with desired reward functions remains a challenge, particularly in cases where reward functions are non-differentiable. Some gradient-free guidance methods have been developed, but they often struggle to achieve optimal inference-time alignment. In this work, we newly frame inference-time alignment in diffusion as a search problem and propose Dynamic Search for Diffusion (DSearch), which subsamples from denoising processes and approximates intermediate node rewards. It also dynamically adjusts beam width and tree expansion to efficiently explore high-reward generations. To refine intermediate decisions, DSearch incorporates adaptive scheduling based on noise levels and a lookahead heuristic function. We validate DSearch across multiple domains, including biological sequence design, molecular optimization, and image generation, demonstrating superior reward optimization compared to existing approaches.

Reinforcement Learning (RL) has played a central role in the recent surge of LLMs' math abilities by enabling self-improvement through binary verifier signals. In contrast, Supervised Learning (SL) is rarely considered for such verification-driven training, largely due to its heavy reliance on reference answers and inability to reflect on mistakes. In this work, we challenge the prevailing notion that self-improvement is exclusive to RL and propose Negative-aware Fine-Tuning (NFT) -- a supervised approach that enables LLMs to reflect on their failures and improve autonomously with no external teachers. In online training, instead of throwing away self-generated negative answers, NFT constructs an implicit negative policy to model them. This implicit policy is parameterized with the same positive LLM we target to optimize on positive data, enabling direct policy optimization on all LLMs' generations. We conduct experiments on 7B and 32B models in math reasoning tasks. Results consistently show that through the additional leverage of negative feedback, NFT significantly improves over SL baselines like Rejection sampling Fine-Tuning, matching or even surpassing leading RL algorithms like GRPO and DAPO. Furthermore, we demonstrate that NFT and GRPO are actually equivalent in strict-on-policy training, even though they originate from entirely different theoretical foundations. Our experiments and theoretical findings bridge the gap between SL and RL methods in binary-feedback learning systems.

We study growth of solid tumors in a partial differential equation model introduced by Hillen et al for the interaction between tumor cells (TCs) and cancer stem cells (CSCs). We find that invasion into the cancer-free state may be separated into two regimes, depending on the death rate of tumor cells. In the first, staged invasion regime, invasion into the cancer-free state is lead by tumor cells, which are then subsequently invaded at a slower speed by cancer stem cells. In the second, TC extinction regime, cancer stem cells directly invade the cancer-free state. Relying on recent results establishing front selection propagation under marginal stability assumptions, we use geometric singular perturbation theory to establish existence and selection properties of front solutions which describe both the primary and secondary invasion processes. With rigorous predictions for the invasion speeds, we are then able to heuristically predict how the total cancer mass as a function of time depends on the TC death rate, finding in some situations a tumor invasion paradox, in which increasing the TC death rate leads to an increase in the total cancer mass. Our methods give a general approach for verifying linear determinacy of spreading speeds of invasion fronts in systems with fast-slow structure.

Dynamic neuroimaging data, such as emission tomography measurements of radiotracer transport in blood or cerebrospinal fluid, often exhibit diffusion-like properties. These introduce distance-dependent temporal delays, scale-differences, and stretching effects that limit the effectiveness of conventional linear modeling and decomposition methods. To address this, we present the shift- and stretch-invariant non-negative matrix factorization framework. Our approach estimates both integer and non-integer temporal shifts as well as temporal stretching, all implemented in the frequency domain, where shifts correspond to phase modifications, and where stretching is handled via zero-padding or truncation. The model is implemented in PyTorch (https://github.com/anders-s-olsen/shiftstretchNMF). We demonstrate on synthetic data and brain emission tomography data that the model is able to account for stretching to provide more detailed characterization of brain tissue structure.

Advances in Large Language Models (LLMs) have enabled a new class of self-evolving agents that autonomously improve through interaction with the environment, demonstrating strong capabilities. However, self-evolution also introduces novel risks overlooked by current safety research. In this work, we study the case where an agent's self-evolution deviates in unintended ways, leading to undesirable or even harmful outcomes. We refer to this as Misevolution. To provide a systematic investigation, we evaluate misevolution along four key evolutionary pathways: model, memory, tool, and workflow. Our empirical findings reveal that misevolution is a widespread risk, affecting agents built even on top-tier LLMs (e.g., Gemini-2.5-Pro). Different emergent risks are observed in the self-evolutionary process, such as the degradation of safety alignment after memory accumulation, or the unintended introduction of vulnerabilities in tool creation and reuse. To our knowledge, this is the first study to systematically conceptualize misevolution and provide empirical evidence of its occurrence, highlighting an urgent need for new safety paradigms for self-evolving agents. Finally, we discuss potential mitigation strategies to inspire further research on building safer and more trustworthy self-evolving agents. Our code and data are available at https://github.com/ShaoShuai0605/Misevolution . Warning: this paper includes examples that may be offensive or harmful in nature.

Diffusion models excel at capturing the natural design spaces of images, molecules, DNA, RNA, and protein sequences. However, rather than merely generating designs that are natural, we often aim to optimize downstream reward functions while preserving the naturalness of these design spaces. Existing methods for achieving this goal often require ``differentiable'' proxy models (e.g., classifier guidance or DPS) or involve computationally expensive fine-tuning of diffusion models (e.g., classifier-free guidance, RL-based fine-tuning). In our work, we propose a new method to address these challenges. Our algorithm is an iterative sampling method that integrates soft value functions, which looks ahead to how intermediate noisy states lead to high rewards in the future, into the standard inference procedure of pre-trained diffusion models. Notably, our approach avoids fine-tuning generative models and eliminates the need to construct differentiable models. This enables us to (1) directly utilize non-differentiable features/reward feedback, commonly used in many scientific domains, and (2) apply our method to recent discrete diffusion models in a principled way. Finally, we demonstrate the effectiveness of our algorithm across several domains, including image generation, molecule generation, and DNA/RNA sequence generation. The code is available at https://github.com/masa-ue/SVDD{https://github.com/masa-ue/SVDD}.

As the application space of language models continues to evolve, a natural question to ask is how we can quickly adapt models to new tasks. We approach this classic question from a continual learning perspective, in which we aim to continue fine-tuning models trained on past tasks on new tasks, with the goal of "transferring" relevant knowledge. However, this strategy also runs the risk of doing more harm than good, i.e., negative transfer. In this paper, we construct a new benchmark of task sequences that target different possible transfer scenarios one might face, such as a sequence of tasks with high potential of positive transfer, high potential for negative transfer, no expected effect, or a mixture of each. An ideal learner should be able to maximally exploit information from all tasks that have any potential for positive transfer, while also avoiding the negative effects of any distracting tasks that may confuse it. We then propose a simple, yet effective, learner that satisfies many of our desiderata simply by leveraging a selective strategy for initializing new models from past task checkpoints. Still, limitations remain, and we hope this benchmark can help the community to further build and analyze such learners.

Predicting the behavior of complex systems is critical in many scientific and engineering domains, and hinges on the model's ability to capture their underlying dynamics. Existing methods encode the intrinsic dynamics of high-dimensional observations through latent representations and predict autoregressively. However, these latent representations lose the inherent spatial structure of spatiotemporal dynamics, leading to the predictor's inability to effectively model spatial interactions and neglect emerging dynamics during long-term prediction. In this work, we propose SparseDiff, introducing a test-time adaptation strategy to dynamically update the encoding scheme to accommodate emergent spatiotemporal structures during the long-term evolution of the system. Specifically, we first design a codebook-based sparse encoder, which coarsens the continuous spatial domain into a sparse graph topology. Then, we employ a graph neural ordinary differential equation to model the dynamics and guide a diffusion decoder for reconstruction. SparseDiff autoregressively predicts the spatiotemporal evolution and adjust the sparse topological structure to adapt to emergent spatiotemporal patterns by adaptive re-encoding. Extensive evaluations on representative systems demonstrate that SparseDiff achieves an average prediction error reduction of 49.99\% compared to baselines, requiring only 1\% of the spatial resolution.

A binary decision task, like yes-no questions or answer verification, reflects a significant real-world scenario such as where users look for confirmation about the correctness of their decisions on specific issues. In this work, we observe that language models exhibit a negative bias in the binary decisions of complex reasoning tasks. Based on our observations and the rationale about attention-based model dynamics, we propose a negative attention score (NAS) to systematically and quantitatively formulate negative bias. Based on NAS, we identify attention heads that attend to negative tokens provided in the instructions as answer candidate of binary decisions, regardless of the question in the prompt, and validate their association with the negative bias. Additionally, we propose the negative attention score alignment (NASA) method, which is a parameter-efficient fine-tuning technique to address the extracted negatively biased attention heads. Experimental results from various domains of reasoning tasks and large model search space demonstrate that NASA significantly reduces the gap between precision and recall caused by negative bias while preserving their generalization abilities. Our codes are available at https://github.com/ysw1021/NASA.

Large language models have become drivers of evolutionary search, but most systems rely on a fixed, prompt-elicited policy to sample next candidates. This limits adaptation in practical engineering and research tasks, where evaluations are expensive, and progress depends on learning task-specific search dynamics. We introduce PACEvolve++, an advisor-model reinforcement learning framework for test-time policy adaptation in evolutionary search agents. PACEvolve++ decouples strategic search decisions from implementation: a trainable advisor generates, assesses, and selects hypotheses, while a stronger frontier model translates selected hypotheses into executable candidates. To train the advisor under non-stationary feedback, we propose a phase-adaptive approach that adapts its optimization strategy to different phases of the evolutionary process. Early in evolution, it uses group-relative feedback to learn broad search preferences; later, as reward gaps compress, it emphasizes best-of-k frontier contribution to support stable refinement. Across expert-parallel load balancing, sequential recommendation, and protein fitness extrapolation, PACEvolve++ outperforms the state-of-the-art evolutionary search framework with frontier models, achieving faster convergence and stabilizing test-time training during evolutionary search.

Modern socio-technical systems increasingly involve multi-stakeholder environments where actors simultaneously cooperate and compete. These coopetitive relationships exhibit dynamic trust evolution based on observed behavior over repeated interactions. While conceptual modeling languages like i* represent trust relationships qualitatively, they lack computational mechanisms for analyzing how trust changes with behavioral evidence. Conversely, computational trust models from multi-agent systems provide algorithmic updating but lack grounding in conceptual models that capture strategic dependencies covering mixed motives of actors. This technical report bridges this gap by developing a computational trust model that extends game-theoretic foundations for strategic coopetition with dynamic trust evolution. Building on companion work that achieved 58/60 validation (96.7%) for logarithmic specifications, we introduce trust as a two-layer system with immediate trust responding to current behavior and reputation tracking violation history. Trust evolves through asymmetric updating where cooperation builds trust gradually while violations erode it sharply, creating hysteresis effects and trust ceilings that constrain relationship recovery. We develop a structured translation framework enabling practitioners to instantiate computational trust models from i* dependency networks encompassing mixed motives of actors. Comprehensive experimental validation across 78,125 parameter configurations establishes robust emergence of negativity bias, hysteresis effects, and cumulative damage amplification. Empirical validation using the Renault-Nissan Alliance case study (1999-2025) achieves 49/60 validation points (81.7%), successfully reproducing documented trust evolution across five distinct relationship phases including crisis and recovery periods.

We test whether artificial intelligence architectural evolution obeys the same statistical laws as biological evolution. Compiling 935 ablation experiments from 161 publications, we show that the distribution of fitness effects (DFE) of architectural modifications follows a heavy-tailed Student's t-distribution with proportions (68% deleterious, 19% neutral, 13% beneficial for major ablations, n=568) that place AI between compact viral genomes and simple eukaryotes. The DFE shape matches D. melanogaster (normalized KS=0.07) and S. cerevisiae (KS=0.09); the elevated beneficial fraction (13% vs. 1-6% in biology) quantifies the advantage of directed over blind search while preserving the distributional form. Architectural origination follows logistic dynamics (R^2=0.994) with punctuated equilibria and adaptive radiation into domain niches. Fourteen architectural traits were independently invented 3-5 times, paralleling biological convergences. These results demonstrate that the statistical structure of evolution is substrate-independent, determined by fitness landscape topology rather than the mechanism of selection.

We present a general computational theory of cancer and its developmental dynamics. The theory is based on a theory of the architecture and function of developmental control networks which guide the formation of multicellular organisms. Cancer networks are special cases of developmental control networks. Cancer results from transformations of normal developmental networks. Our theory generates a natural classification of all possible cancers based on their network architecture. Each cancer network has a unique topology and semantics and developmental dynamics that result in distinct clinical tumor phenotypes. We apply this new theory with a series of proof of concept cases for all the basic cancer types. These cases have been computationally modeled, their behavior simulated and mathematically described using a multicellular systems biology approach. There are fascinating correspondences between the dynamic developmental phenotype of computationally modeled {\em in silico} cancers and natural {\em in vivo} cancers. The theory lays the foundation for a new research paradigm for understanding and investigating cancer. The theory of cancer networks implies that new diagnostic methods and new treatments to cure cancer will become possible.

We develop a novel, general and computationally efficient framework, called Divide and Conquer Dynamic Programming (DCDP), for localizing change points in time series data with high-dimensional features. DCDP deploys a class of greedy algorithms that are applicable to a broad variety of high-dimensional statistical models and can enjoy almost linear computational complexity. We investigate the performance of DCDP in three commonly studied change point settings in high dimensions: the mean model, the Gaussian graphical model, and the linear regression model. In all three cases, we derive non-asymptotic bounds for the accuracy of the DCDP change point estimators. We demonstrate that the DCDP procedures consistently estimate the change points with sharp, and in some cases, optimal rates while incurring significantly smaller computational costs than the best available algorithms. Our findings are supported by extensive numerical experiments on both synthetic and real data.

In here presented in silico study we suggest a way how to implement the evolutionary principles into anti-cancer therapy design. We hypothesize that instead of its ongoing supervised adaptation, the therapy may be constructed as a self-sustaining evolutionary process in a dynamic fitness landscape established implicitly by evolving cancer cells, microenvironment and the therapy itself. For these purposes, we replace a unified therapy with the `therapy species', which is a population of heterogeneous elementary therapies, and propose a way how to turn the toxicity of the elementary therapy into its fitness in a way conforming to evolutionary causation. As a result, not only the therapies govern the evolution of different cell phenotypes, but the cells' resistances govern the evolution of the therapies as well. We illustrate the approach by the minimalistic ad hoc evolutionary model. Its results indicate that the resistant cells could bias the evolution towards more toxic elementary therapies by inhibiting the less toxic ones. As the evolutionary causation of cancer drug resistance has been intensively studied for a few decades, we refer to cancer as a special case to illustrate purely theoretical analysis.

Reinforcement Learning (RL) has significantly advanced Large Language Models (LLMs) in verifiable domains, but aligning models for open-ended generation remains profoundly challenging due to the lack of definitive rewards. Current rubric-based RL methods mitigate this by employing explicit criteria; however, they rely heavily on static, human-annotated rubrics that inevitably cause policy lag, or expensive external proprietary models for dynamic updates. In this paper, we propose EvoRubric, a novel single-policy co-evolutionary RL framework that eliminates the reliance on static criteria and on external rubric generators. By unifying response generation and rubric generation under a single parameterized policy, EvoRubric dynamically alternates between a Reasoner and a Rubric Generator. To prevent reward hacking and ensure the reliability of generated signals, we introduce a multi-level verification pipeline featuring a meta-verifier, zero-variance pruning, and a Leave-One-Out peer consensus mechanism. Validated criteria are dynamically archived into a memory pool, yielding dense, multi-objective rewards to continuously co-optimize both roles. Extensive experiments across Medical, Writing, and Science domains demonstrate that EvoRubric consistently outperforms traditional static and external-LLM-driven alignment methods. Notably, our framework is compatible with human-expert priors. When initialized with expert-annotated rubrics, EvoRubric can further uncover novel, discriminative dimensions, achieving better performance than relying solely on static expert annotations.

We present a concise dynamical picture of infant-driven household chaos. The framework has three postulations: recurrent daily chaos, overall entropy growth in household organization, and transient local ordering episodes with switching rules (a volatile Maxwell-demon effect). We illustrate entropy growth with a two-region toy model (organizer vs. play area), where entropy production is nonnegative and long-time behavior is typically play-area dominated. We also model toy diffusion and curiosity-driven behavior, where novelty matters more than punishment in the short term, while gradual learning still occurs.

Machine learning has achieved remarkable success in many applications. However, existing studies are largely based on the closed-world assumption, which assumes that the environment is stationary, and the model is fixed once deployed. In many real-world applications, this fundamental and rather naive assumption may not hold because an open environment is complex, dynamic, and full of unknowns. In such cases, rejecting unknowns, discovering novelties, and then incrementally learning them, could enable models to be safe and evolve continually as biological systems do. This paper provides a holistic view of open-world machine learning by investigating unknown rejection, novel class discovery, and class-incremental learning in a unified paradigm. The challenges, principles, and limitations of current methodologies are discussed in detail. Finally, we discuss several potential directions for future research. This paper aims to provide a comprehensive introduction to the emerging open-world machine learning paradigm, to help researchers build more powerful AI systems in their respective fields, and to promote the development of artificial general intelligence.

Recent studies have demonstrated the strong empirical performance of diffusion models on discrete sequences across domains from natural language to biological sequence generation. For example, in the protein inverse folding task, conditional diffusion models have achieved impressive results in generating natural-like sequences that fold back into the original structure. However, practical design tasks often require not only modeling a conditional distribution but also optimizing specific task objectives. For instance, we may prefer protein sequences with high stability. To address this, we consider the scenario where we have pre-trained discrete diffusion models that can generate natural-like sequences, as well as reward models that map sequences to task objectives. We then formulate the reward maximization problem within discrete diffusion models, analogous to reinforcement learning (RL), while minimizing the KL divergence against pretrained diffusion models to preserve naturalness. To solve this RL problem, we propose a novel algorithm, DRAKES, that enables direct backpropagation of rewards through entire trajectories generated by diffusion models, by making the originally non-differentiable trajectories differentiable using the Gumbel-Softmax trick. Our theoretical analysis indicates that our approach can generate sequences that are both natural-like and yield high rewards. While similar tasks have been recently explored in diffusion models for continuous domains, our work addresses unique algorithmic and theoretical challenges specific to discrete diffusion models, which arise from their foundation in continuous-time Markov chains rather than Brownian motion. Finally, we demonstrate the effectiveness of DRAKES in generating DNA and protein sequences that optimize enhancer activity and protein stability, respectively, important tasks for gene therapies and protein-based therapeutics.

Diffusion models have made substantial advances in image generation, yet models trained on large, unfiltered datasets often yield outputs misaligned with human preferences. Numerous methods have been proposed to fine-tune pre-trained diffusion models, achieving notable improvements in aligning generated outputs with human preferences. However, we argue that existing preference alignment methods neglect the critical role of handling unconditional/negative-conditional outputs, leading to a diminished capacity to avoid generating undesirable outcomes. This oversight limits the efficacy of classifier-free guidance~(CFG), which relies on the contrast between conditional generation and unconditional/negative-conditional generation to optimize output quality. In response, we propose a straightforward but versatile effective approach that involves training a model specifically attuned to negative preferences. This method does not require new training strategies or datasets but rather involves minor modifications to existing techniques. Our approach integrates seamlessly with models such as SD1.5, SDXL, video diffusion models and models that have undergone preference optimization, consistently enhancing their alignment with human preferences.

Selective state space models (SSM), such as Mamba, have gained prominence for their effectiveness in modeling sequential data. Despite their outstanding empirical performance, a comprehensive theoretical understanding of deep selective SSM remains elusive, hindering their further development and adoption for applications that need high fidelity. In this paper, we investigate the dynamical properties of tokens in a pre-trained Mamba model. In particular, we derive the dynamical system governing the continuous-time limit of the Mamba model and characterize the asymptotic behavior of its solutions. In the one-dimensional case, we prove that only one of the following two scenarios happens: either all tokens converge to zero, or all tokens diverge to infinity. We provide criteria based on model parameters to determine when each scenario occurs. For the convergent scenario, we empirically verify that this scenario negatively impacts the model's performance. For the divergent scenario, we prove that different tokens will diverge to infinity at different rates, thereby contributing unequally to the updates during model training. Based on these investigations, we propose two refinements for the model: excluding the convergent scenario and reordering tokens based on their importance scores, both aimed at improving practical performance. Our experimental results validate these refinements, offering insights into enhancing Mamba's effectiveness in real-world applications.

The stability of recursively trained large language models (LLMs) is a foundational problem for AI safety. Prevailing theory predicts model collapse, a progressive degradation when models are trained on their own output. We challenge this narrative by introducing a selective feedback mechanism. Contrary to expectation, instead of merely slowing decay, our experiments provide strong evidence that this pressure reverses it, inducing a statistically significant performance improvement in a Gemma 2B model on a complex summarization task. We name this phenomenon the Anti-Ouroboros Effect. We contrast this with a foundational experiment using a simple classifier, where the theoretical degenerative loop was validated, highlighting the unique dynamics of high-dimensional models. Our findings establish that systemic resilience can be an emergent property of LLMs under simple selection pressure, suggesting a powerful and scalable principle for developing safer and more robust AI systems. Across five generations, a quality-filtered condition improved by 6.6% in ROUGE-L F1 score, whereas an unfiltered control degraded by 3.5% and a random-filter control degraded by 4.2%

The Base-New Trade-off (BNT) problem universally exists during the optimization of CLIP-based prompt tuning, where continuous fine-tuning on base (target) classes leads to a simultaneous decrease of generalization ability on new (unseen) classes. Existing approaches attempt to regulate the prompt tuning process to balance BNT by appending constraints. However, imposed on the same target prompt, these constraints fail to fully avert the mutual exclusivity between the optimization directions for base and new. As a novel solution to this challenge, we propose the plug-and-play Dual-Prompt Collaboration (DPC) framework, the first that decoupling the optimization processes of base and new tasks at the prompt level. Specifically, we clone a learnable parallel prompt based on the backbone prompt, and introduce a variable Weighting-Decoupling framework to independently control the optimization directions of dual prompts specific to base or new tasks, thus avoiding the conflict in generalization. Meanwhile, we propose a Dynamic Hard Negative Optimizer, utilizing dual prompts to construct a more challenging optimization task on base classes for enhancement. For interpretability, we prove the feature channel invariance of the prompt vector during the optimization process, providing theoretical support for the Weighting-Decoupling of DPC. Extensive experiments on multiple backbones demonstrate that DPC can significantly improve base performance without introducing any external knowledge beyond the base classes, while maintaining generalization to new classes. Code is available at: https://github.com/JREion/DPC.

Deep neural policies have recently been installed in a diverse range of settings, from biotechnology to automated financial systems. However, the utilization of deep neural networks to approximate the value function leads to concerns on the decision boundary stability, in particular, with regard to the sensitivity of policy decision making to indiscernible, non-robust features due to highly non-convex and complex deep neural manifolds. These concerns constitute an obstruction to understanding the reasoning made by deep neural policies, and their foundational limitations. Hence, it is crucial to develop techniques that aim to understand the sensitivities in the learnt representations of neural network policies. To achieve this we introduce a theoretically founded method that provides a systematic analysis of the unstable directions in the deep neural policy decision boundary across both time and space. Through experiments in the Arcade Learning Environment (ALE), we demonstrate the effectiveness of our technique for identifying correlated directions of instability, and for measuring how sample shifts remold the set of sensitive directions in the neural policy landscape. Most importantly, we demonstrate that state-of-the-art robust training techniques yield learning of disjoint unstable directions, with dramatically larger oscillations over time, when compared to standard training. We believe our results reveal the fundamental properties of the decision process made by reinforcement learning policies, and can help in constructing reliable and robust deep neural policies.

Natural intelligences (NIs) thrive in a dynamic world - they learn quickly, sometimes with only a few samples. In contrast, artificial intelligences (AIs) typically learn with a prohibitive number of training samples and computational power. What design principle difference between NI and AI could contribute to such a discrepancy? Here, we investigate the role of weight polarity: development processes initialize NIs with advantageous polarity configurations; as NIs grow and learn, synapse magnitudes update, yet polarities are largely kept unchanged. We demonstrate with simulation and image classification tasks that if weight polarities are adequately set a priori, then networks learn with less time and data. We also explicitly illustrate situations in which a priori setting the weight polarities is disadvantageous for networks. Our work illustrates the value of weight polarities from the perspective of statistical and computational efficiency during learning.

While the field of Quality-Diversity (QD) has grown into a distinct branch of stochastic optimization, a few problems, in particular locomotion and navigation tasks, have become de facto standards. Are such benchmarks sufficient? Are they representative of the key challenges faced by QD algorithms? Do they provide the ability to focus on one particular challenge by properly disentangling it from others? Do they have much predictive power in terms of scalability and generalization? Existing benchmarks are not standardized, and there is currently no MNIST equivalent for QD. Inspired by recent works on Reinforcement Learning benchmarks, we argue that the identification of challenges faced by QD methods and the development of targeted, challenging, scalable but affordable benchmarks is an important step. As an initial effort, we identify three problems that are challenging in sparse reward settings, and propose associated benchmarks: (1) Behavior metric bias, which can result from the use of metrics that do not match the structure of the behavior space. (2) Behavioral Plateaus, with varying characteristics, such that escaping them would require adaptive QD algorithms and (3) Evolvability Traps, where small variations in genotype result in large behavioral changes. The environments that we propose satisfy the properties listed above.

Active learning for imbalanced classification tasks is challenging as the minority classes naturally occur rarely. Gathering a large pool of unlabelled data is thus essential to capture minority instances. Standard pool-based active learning is computationally expensive on large pools and often reaches low accuracy by overfitting the initial decision boundary, thus failing to explore the input space and find minority instances. To address these issues we propose AnchorAL. At each iteration, AnchorAL chooses class-specific instances from the labelled set, or anchors, and retrieves the most similar unlabelled instances from the pool. This resulting subpool is then used for active learning. Using a small, fixed-sized subpool AnchorAL allows scaling any active learning strategy to large pools. By dynamically selecting different anchors at each iteration it promotes class balance and prevents overfitting the initial decision boundary, thus promoting the discovery of new clusters of minority instances. Experiments across different classification tasks, active learning strategies, and model architectures AnchorAL is (i) faster, often reducing runtime from hours to minutes, (ii) trains more performant models, (iii) and returns more balanced datasets than competing methods.

Predicting the intermediate trajectories between an initial and target distribution is a central problem in generative modeling. Existing approaches, such as flow matching and Schr\"odinger Bridge Matching, effectively learn mappings between two distributions by modeling a single stochastic path. However, these methods are inherently limited to unimodal transitions and cannot capture branched or divergent evolution from a common origin to multiple distinct outcomes. To address this, we introduce Branched Schr\"odinger Bridge Matching (BranchSBM), a novel framework that learns branched Schr\"odinger bridges. BranchSBM parameterizes multiple time-dependent velocity fields and growth processes, enabling the representation of population-level divergence into multiple terminal distributions. We show that BranchSBM is not only more expressive but also essential for tasks involving multi-path surface navigation, modeling cell fate bifurcations from homogeneous progenitor states, and simulating diverging cellular responses to perturbations.

Reinforcement Learning with Verifiable Rewards (RLVR) enhances reasoning of Large Language Models (LLMs) but usually exhibits limited generation diversity due to the over-incentivization of positive rewards. Although methods like Negative Sample Reinforcement (NSR) mitigate this issue by upweighting penalty from negative samples, they may suppress the semantic distributions shared between positive and negative responses. To boost reasoning ability without losing diversity, this paper proposes negative sample projection Residual Reinforcement Learning (ResRL) that decouples similar semantic distributions among positive and negative responses. We theoretically link Lazy Likelihood Displacement (LLD) to negative-positive head-gradient interference and derive a single-forward proxy that upper-bounds representation alignment to guide conservative advantage reweighting. ResRL then projects negative-token hidden representations onto an SVD-based low-rank positive subspace and uses projection residuals to modulate negative gradients, improving reasoning while preserving diversity and outperforming strong baselines on average across twelve benchmarks spanning Mathematics, Code, Agent Tasks, and Function Calling. Notably, ResRL surpasses NSR on mathematical reasoning by 9.4\% in Avg@16 and 7.0\% in Pass@128. Code is available at https://github.com/1229095296/ResRL.git.

The human brain is autonomously active, being characterized by a self-sustained neural activity which would be present even in the absence of external sensory stimuli. Here we study the interrelation between the self-sustained activity in autonomously active recurrent neural nets and external sensory stimuli. There is no a priori semantical relation between the influx of external stimuli and the patterns generated internally by the autonomous and ongoing brain dynamics. The question then arises when and how are semantic correlations between internal and external dynamical processes learned and built up? We study this problem within the paradigm of transient state dynamics for the neural activity in recurrent neural nets, i.e. for an autonomous neural activity characterized by an infinite time-series of transiently stable attractor states. We propose that external stimuli will be relevant during the sensitive periods, {\it viz} the transition period between one transient state and the subsequent semi-stable attractor. A diffusive learning signal is generated unsupervised whenever the stimulus influences the internal dynamics qualitatively. For testing we have presented to the model system stimuli corresponding to the bars and stripes problem. We found that the system performs a non-linear independent component analysis on its own, being continuously and autonomously active. This emergent cognitive capability results here from a general principle for the neural dynamics, the competition between neural ensembles.

Biological nervous systems are created in a fundamentally different way than current artificial neural networks. Despite its impressive results in a variety of different domains, deep learning often requires considerable engineering effort to design high-performing neural architectures. By contrast, biological nervous systems are grown through a dynamic self-organizing process. In this paper, we take initial steps toward neural networks that grow through a developmental process that mirrors key properties of embryonic development in biological organisms. The growth process is guided by another neural network, which we call a Neural Developmental Program (NDP) and which operates through local communication alone. We investigate the role of neural growth on different machine learning benchmarks and different optimization methods (evolutionary training, online RL, offline RL, and supervised learning). Additionally, we highlight future research directions and opportunities enabled by having self-organization driving the growth of neural networks.

The introduction of negative labels (NLs) has proven effective in enhancing Out-of-Distribution (OOD) detection. However, existing methods often lack an understanding of OOD images, making it difficult to construct an accurate negative space. Furthermore, the absence of negative labels semantically similar to ID labels constrains their capability in near-OOD detection. To address these issues, we propose shaping an Adaptive Negative Textual Space (ANTS) by leveraging the understanding and reasoning capabilities of multimodal large language models (MLLMs). Specifically, we cache images likely to be OOD samples from the historical test images and prompt the MLLM to describe these images, generating expressive negative sentences that precisely characterize the OOD distribution and enhance far-OOD detection. For the near-OOD setting, where OOD samples resemble the in-distribution (ID) subset, we cache the subset of ID classes that are visually similar to historical test images and then leverage MLLM reasoning to generate visually similar negative labels tailored to this subset, effectively reducing false negatives and improving near-OOD detection. To balance these two types of negative textual spaces, we design an adaptive weighted score that enables the method to handle different OOD task settings (near-OOD and far-OOD), making it highly adaptable in open environments. On the ImageNet benchmark, our ANTS significantly reduces the FPR95 by 3.1\%, establishing a new state-of-the-art. Furthermore, our method is training-free and zero-shot, enabling high scalability. Codes are available at https://github.com/ZhuWenjie98/ANTS.

We address the problem of learning the dynamics of an unknown non-parametric system linking a target and a feature time series. The feature time series is measured on a sparse and irregular grid, while we have access to only a few points of the target time series. Once learned, we can use these dynamics to predict values of the target from the previous values of the feature time series. We frame this task as learning the solution map of a controlled differential equation (CDE). By leveraging the rich theory of signatures, we are able to cast this non-linear problem as a high-dimensional linear regression. We provide an oracle bound on the prediction error which exhibits explicit dependencies on the individual-specific sampling schemes. Our theoretical results are illustrated by simulations which show that our method outperforms existing algorithms for recovering the full time series while being computationally cheap. We conclude by demonstrating its potential on real-world epidemiological data.

We propose a novel attention mechanism, named Cog Attention, that enables attention weights to be negative for enhanced expressiveness, which stems from two key factors: (1) Cog Attention can shift the token deletion and copying function from a static OV matrix to dynamic QK inner products, with the OV matrix now focusing more on refinement or modification. The attention head can simultaneously delete, copy, or retain tokens by assigning them negative, positive, or minimal attention weights, respectively. As a result, a single attention head becomes more flexible and expressive. (2) Cog Attention improves the model's robustness against representational collapse, which can occur when earlier tokens are over-squashed into later positions, leading to homogeneous representations. Negative weights reduce effective information paths from earlier to later tokens, helping to mitigate this issue. We develop Transformer-like models which use Cog Attention as attention modules, including decoder-only models for language modeling and U-ViT diffusion models for image generation. Experiments show that models using Cog Attention exhibit superior performance compared to those employing traditional softmax attention modules. Our approach suggests a promising research direction for rethinking and breaking the entrenched constraints of traditional softmax attention, such as the requirement for non-negative weights.

Model uncertainty and limited data are fundamental challenges to robust management of human intervention in a natural system. These challenges are acutely highlighted by concerns that many ecological systems may contain tipping points, such as Allee population sizes. Before a collapse, we do not know where the tipping points lie, if they exist at all. Hence, we know neither a complete model of the system dynamics nor do we have access to data in some large region of state-space where such a tipping point might exist. We illustrate how a Bayesian Non-Parametric (BNP) approach using a Gaussian Process (GP) prior provides a flexible representation of this inherent uncertainty. We embed GPs in a Stochastic Dynamic Programming (SDP) framework in order to make robust management predictions with both model uncertainty and limited data. We use simulations to evaluate this approach as compared with the standard approach of using model selection to choose from a set of candidate models. We find that model selection erroneously favors models without tipping points -- leading to harvest policies that guarantee extinction. The GPDP performs nearly as well as the true model and significantly outperforms standard approaches. We illustrate this using examples of simulated single-species dynamics, where the standard model selection approach should be most effective, and find that it still fails to account for uncertainty appropriately and leads to population crashes, while management based on the GPDP does not, since it does not underestimate the uncertainty outside of the observed data.

Morphological traits are physical characteristics of biological organisms that provide vital clues on how organisms interact with their environment. Yet extracting these traits remains a slow, expert-driven process, limiting their use in large-scale ecological studies. A major bottleneck is the absence of high-quality datasets linking biological images to trait-level annotations. In this work, we demonstrate that sparse autoencoders trained on foundation-model features yield monosemantic, spatially grounded neurons that consistently activate on meaningful morphological parts. Leveraging this property, we introduce a trait annotation pipeline that localizes salient regions and uses vision-language prompting to generate interpretable trait descriptions. Using this approach, we construct Bioscan-Traits, a dataset of 80K trait annotations spanning 19K insect images from BIOSCAN-5M. Human evaluation confirms the biological plausibility of the generated morphological descriptions. We assess design sensitivity through a comprehensive ablation study, systematically varying key design choices and measuring their impact on the quality of the resulting trait descriptions. By annotating traits with a modular pipeline rather than prohibitively expensive manual efforts, we offer a scalable way to inject biologically meaningful supervision into foundation models, enable large-scale morphological analyses, and bridge the gap between ecological relevance and machine-learning practicality.

Current controllable diffusion models typically rely on fixed architectures that modify intermediate activations to inject guidance conditioned on a new modality. This approach uses a static conditioning strategy for a dynamic, multi-stage denoising process, limiting the model's ability to adapt its response as the generation evolves from coarse structure to fine detail. We introduce TC-LoRA (Temporally Modulated Conditional LoRA), a new paradigm that enables dynamic, context-aware control by conditioning the model's weights directly. Our framework uses a hypernetwork to generate LoRA adapters on-the-fly, tailoring weight modifications for the frozen backbone at each diffusion step based on time and the user's condition. This mechanism enables the model to learn and execute an explicit, adaptive strategy for applying conditional guidance throughout the entire generation process. Through experiments on various data domains, we demonstrate that this dynamic, parametric control significantly enhances generative fidelity and adherence to spatial conditions compared to static, activation-based methods. TC-LoRA establishes an alternative approach in which the model's conditioning strategy is modified through a deeper functional adaptation of its weights, allowing control to align with the dynamic demands of the task and generative stage.

This paper studies the problem of performing a sequence of optimal interventions in a causal dynamical system where both the target variable of interest and the inputs evolve over time. This problem arises in a variety of domains e.g. system biology and operational research. Dynamic Causal Bayesian Optimization (DCBO) brings together ideas from sequential decision making, causal inference and Gaussian process (GP) emulation. DCBO is useful in scenarios where all causal effects in a graph are changing over time. At every time step DCBO identifies a local optimal intervention by integrating both observational and past interventional data collected from the system. We give theoretical results detailing how one can transfer interventional information across time steps and define a dynamic causal GP model which can be used to quantify uncertainty and find optimal interventions in practice. We demonstrate how DCBO identifies optimal interventions faster than competing approaches in multiple settings and applications.

Vital to primary visual processing, retinal circuitry shows many similar structures across a very broad array of species, both vertebrate and non-vertebrate, especially functional components such as lateral inhibition. This surprisingly conservative pattern raises a question of how evolution leads to it, and whether there is any alternative that can also prompt helpful preprocessing. Here we design a method using genetic algorithm that, with many degrees of freedom, leads to architectures whose functions are similar to biological retina, as well as effective alternatives that are different in structures and functions. We compare this model to natural evolution and discuss how our framework can come into goal-driven search and sustainable enhancement of neural network models in machine learning.

Complex, temporally evolving phenomena, from climate to brain activity, are governed by dynamical systems (DS). DS reconstruction (DSR) seeks to infer generative surrogate models of these from observed data, reproducing their long-term behavior. Existing DSR approaches require purpose-training for any new system observed, lacking the zero-shot and in-context inference capabilities known from LLMs. Here we introduce DynaMix, a novel multivariate ALRNN-based mixture-of-experts architecture pre-trained for DSR, the first DSR model able to generalize zero-shot to out-of-domain DS. Just from a provided context signal, without any re-training, DynaMix faithfully forecasts the long-term evolution of novel DS where existing time series (TS) foundation models, like Chronos, fail -- at a fraction of the number of parameters and orders of magnitude faster inference times. DynaMix outperforms TS foundation models in terms of long-term statistics, and often also short-term forecasts, even on real-world time series, like traffic or weather data, typically used for training and evaluating TS models, but not at all part of DynaMix' training corpus. We illustrate some of the failure modes of TS models for DSR problems, and conclude that models built on DS principles may bear a huge potential also for advancing the TS prediction field.

We introduce a novel score-based diffusion framework named Twigs that incorporates multiple co-evolving flows for enriching conditional generation tasks. Specifically, a central or trunk diffusion process is associated with a primary variable (e.g., graph structure), and additional offshoot or stem processes are dedicated to dependent variables (e.g., graph properties or labels). A new strategy, which we call loop guidance, effectively orchestrates the flow of information between the trunk and the stem processes during sampling. This approach allows us to uncover intricate interactions and dependencies, and unlock new generative capabilities. We provide extensive experiments to demonstrate strong performance gains of the proposed method over contemporary baselines in the context of conditional graph generation, underscoring the potential of Twigs in challenging generative tasks such as inverse molecular design and molecular optimization.

Learning the continuous dynamics of a system from snapshots of its temporal marginals is a problem which appears throughout natural sciences and machine learning, including in quantum systems, single-cell biological data, and generative modeling. In these settings, we assume access to cross-sectional samples that are uncorrelated over time, rather than full trajectories of samples. In order to better understand the systems under observation, we would like to learn a model of the underlying process that allows us to propagate samples in time and thereby simulate entire individual trajectories. In this work, we propose Action Matching, a method for learning a rich family of dynamics using only independent samples from its time evolution. We derive a tractable training objective, which does not rely on explicit assumptions about the underlying dynamics and does not require back-propagation through differential equations or optimal transport solvers. Inspired by connections with optimal transport, we derive extensions of Action Matching to learn stochastic differential equations and dynamics involving creation and destruction of probability mass. Finally, we showcase applications of Action Matching by achieving competitive performance in a diverse set of experiments from biology, physics, and generative modeling.

The generation of sustained, open-ended complexity from local interactions remains a fundamental challenge in artificial life. Differentiable multi-agent systems, such as Petri Dish Neural Cellular Automata (PD-NCA), exhibit rich self-organization driven purely by spatial competition; however, they are highly sensitive to hyperparameters and frequently collapse into uninteresting patterns and dynamics, such as frozen equilibria or structureless noise. In this paper, we introduce PBT-NCA, a meta-evolutionary algorithm that evolves a population of PD-NCAs subject to a composite objective that rewards both historical behavioral novelty and contemporary visual diversity. Driven by this continuous evolutionary pressure, PBT-NCA spontaneously generates a plethora of emergent lifelike phenomena over extended horizons-a hallmark of true open-endedness. Strikingly, the substrate autonomously discovers diverse morphological survival and self-organization strategies. We observe highly regular, coordinated periodic waves; spore-like scattering where homogeneous groups eject cell-like clusters to colonize distant territories; and fluid, shape-shifting macro-structures that migrate across the substrate, maintaining stable outer boundaries that enclose highly active interiors. By actively penalizing monocultures and dead states, PBT-NCA sustains a state of effective complexity that is neither globally ordered nor globally random, operating persistently at the "edge of chaos".

Negation is a fundamental linguistic concept used by humans to convey information that they do not desire. Despite this, minimal research has focused on negation within text-guided image editing. This lack of research means that vision-language models (VLMs) for image editing may struggle to understand negation, implying that they struggle to provide accurate results. One barrier to achieving human-level intelligence is the lack of a standard collection by which research into negation can be evaluated. This paper presents the first large-scale dataset, Negative Instruction (NeIn), for studying negation within instruction-based image editing. Our dataset comprises 366,957 quintuplets, i.e., source image, original caption, selected object, negative sentence, and target image in total, including 342,775 queries for training and 24,182 queries for benchmarking image editing methods. Specifically, we automatically generate NeIn based on a large, existing vision-language dataset, MS-COCO, via two steps: generation and filtering. During the generation phase, we leverage two VLMs, BLIP and InstructPix2Pix (fine-tuned on MagicBrush dataset), to generate NeIn's samples and the negative clauses that expresses the content of the source image. In the subsequent filtering phase, we apply BLIP and LLaVA-NeXT to remove erroneous samples. Additionally, we introduce an evaluation protocol to assess the negation understanding for image editing models. Extensive experiments using our dataset across multiple VLMs for text-guided image editing demonstrate that even recent state-of-the-art VLMs struggle to understand negative queries.

Reinforcement Learning from Human Feedback has emerged as a standard for aligning diffusion models. However, we identify a fundamental limitation in the standard DPO formulation because it relies on the Bradley-Terry model to aggregate diverse evaluation axes like aesthetic quality and semantic alignment into a single scalar reward. This aggregation creates a reward conflict where the model is forced to unlearn desirable features of a specific dimension if they appear in a globally non-preferred sample. To address this issue, we propose Multi Reward Conditional DPO (MCDPO). This method resolves reward conflicts by introducing a disentangled Bradley-Terry objective. MCDPO explicitly injects a preference outcome vector as a condition during training, which allows the model to learn the correct optimization direction for each reward axis independently within a single network. We further introduce dimensional reward dropout to ensure balanced optimization across dimensions. Extensive experiments on Stable Diffusion 1.5 and SDXL demonstrate that MCDPO achieves superior performance on benchmarks. Notably, our conditional framework enables dynamic and multiple-axis control at inference time using Classifier Free Guidance to amplify specific reward dimensions without additional training or external reward models.

Recent advancements in text-to-image diffusion models have brought them to the public spotlight, becoming widely accessible and embraced by everyday users. However, these models have been shown to generate harmful content such as not-safe-for-work (NSFW) images. While approaches have been proposed to erase such abstract concepts from the models, jail-breaking techniques have succeeded in bypassing such safety measures. In this paper, we propose TraSCE, an approach to guide the diffusion trajectory away from generating harmful content. Our approach is based on negative prompting, but as we show in this paper, a widely used negative prompting strategy is not a complete solution and can easily be bypassed in some corner cases. To address this issue, we first propose using a specific formulation of negative prompting instead of the widely used one. Furthermore, we introduce a localized loss-based guidance that enhances the modified negative prompting technique by steering the diffusion trajectory. We demonstrate that our proposed method achieves state-of-the-art results on various benchmarks in removing harmful content, including ones proposed by red teams, and erasing artistic styles and objects. Our proposed approach does not require any training, weight modifications, or training data (either image or prompt), making it easier for model owners to erase new concepts.

The capacity to precisely edit genomes has outpaced our ability to predict the consequences. A cell can be genetically perfect and therapeutically useless: edited exactly as intended, yet unstable, drifting toward unintended fates, or selected for properties that compromise safety. This paradox reflects a deeper gap in how we evaluate biological intervention. Current frameworks excel at measuring what was done to a cell but remain blind to what the cell has become. We argue that this blindness stems from treating cells as collections of independent variables rather than as dynamical systems occupying positions on high-dimensional state manifolds. Drawing on Waddington's epigenetic landscape, we propose geometric stability as a missing axis of evaluation: the directional coherence of cellular responses to perturbation. This metric distinguishes interventions that guide cells coherently toward stable states from those that scatter them across the state manifold. Validation across diverse perturbation datasets reveals that geometric stability captures regulatory architecture invisible to conventional metrics, discriminating pleiotropic master regulators from lineage-specific factors without prior biological annotation. As precision medicine increasingly relies on cellular reprogramming, the question shifts from ``did the intervention occur?'' to ``is the resulting state stable?'' Geometric stability provides a framework for answering.

Despite its widespread use in neural networks, error backpropagation has faced criticism for its lack of biological plausibility, suffering from issues such as the backward locking problem and the weight transport problem. These limitations have motivated researchers to explore more biologically plausible learning algorithms that could potentially shed light on how biological neural systems adapt and learn. Inspired by the counter-current exchange mechanisms observed in biological systems, we propose counter-current learning (CCL), a biologically plausible framework for credit assignment in neural networks. This framework employs a feedforward network to process input data and a feedback network to process targets, with each network enhancing the other through anti-parallel signal propagation. By leveraging the more informative signals from the bottom layer of the feedback network to guide the updates of the top layer of the feedforward network and vice versa, CCL enables the simultaneous transformation of source inputs to target outputs and the dynamic mutual influence of these transformations. Experimental results on MNIST, FashionMNIST, CIFAR10, and CIFAR100 datasets using multi-layer perceptrons and convolutional neural networks demonstrate that CCL achieves comparable performance to other biologically plausible algorithms while offering a more biologically realistic learning mechanism. Furthermore, we showcase the applicability of our approach to an autoencoder task, underscoring its potential for unsupervised representation learning. Our work presents a direction for biologically inspired and plausible learning algorithms, offering an alternative mechanism of learning and adaptation in neural networks.

Auxiliary-Task Learning (ATL) aims to improve the performance of the target task by leveraging the knowledge obtained from related tasks. Occasionally, learning multiple tasks simultaneously results in lower accuracy than learning only the target task, which is known as negative transfer. This problem is often attributed to the gradient conflicts among tasks, and is frequently tackled by coordinating the task gradients in previous works. However, these optimization-based methods largely overlook the auxiliary-target generalization capability. To better understand the root cause of negative transfer, we experimentally investigate it from both optimization and generalization perspectives. Based on our findings, we introduce ForkMerge, a novel approach that periodically forks the model into multiple branches, automatically searches the varying task weights by minimizing target validation errors, and dynamically merges all branches to filter out detrimental task-parameter updates. On a series of auxiliary-task learning benchmarks, ForkMerge outperforms existing methods and effectively mitigates negative transfer.

Learning from negative samples holds great promise for improving Large Language Model (LLM) reasoning capability, yet existing methods treat all incorrect responses as equally informative, overlooking the crucial role of sample quality. To address this, we propose Plausible Negative Samples (PNS), a method that synthesizes high-quality negative samples exhibiting expected format and structural coherence while ultimately yielding incorrect answers. PNS trains a dedicated model via reverse reinforcement learning (RL) guided by a composite reward combining format compliance, accuracy inversion, reward model assessment, and chain-of-thought evaluation, generating responses nearly indistinguishable from correct solutions. We further validate PNS as a plug-and-play data source for preference optimization across three backbone models on seven mathematical reasoning benchmarks. Results demonstrate that PNS consistently outperforms other negative sample synthesis methods, achieving an average improvement of 2.03% over RL-trained models.

Large language models (LLMs) are increasingly being used to evolve solutions to problems in many domains, in a process inspired by biological evolution. However, unlike biological evolution, most LLM-evolution frameworks are formulated as static optimization problems, overlooking the open-ended adversarial dynamics that characterize real-world evolutionary processes. Here, we study Digital Red Queen (DRQ), a simple self-play algorithm that embraces these so-called "Red Queen" dynamics via continual adaptation to a changing objective. DRQ uses an LLM to evolve assembly-like programs, called warriors, which compete against each other for control of a virtual machine in the game of Core War, a Turing-complete environment studied in artificial life and connected to cybersecurity. In each round of DRQ, the model evolves a new warrior to defeat all previous ones, producing a sequence of adapted warriors. Over many rounds, we observe that warriors become increasingly general (relative to a set of held-out human warriors). Interestingly, warriors also become less behaviorally diverse across independent runs, indicating a convergence pressure toward a general-purpose behavioral strategy, much like convergent evolution in nature. This result highlights a potential value of shifting from static objectives to dynamic Red Queen objectives. Our work positions Core War as a rich, controllable sandbox for studying adversarial adaptation in artificial systems and for evaluating LLM-based evolution methods. More broadly, the simplicity and effectiveness of DRQ suggest that similarly minimal self-play approaches could prove useful in other more practical multi-agent adversarial domains, like real-world cybersecurity or combating drug resistance.

This paper aims to extend the Structured Knowledge Accumulation (SKA) framework recently proposed by mahi2025ska. We introduce two core concepts: the Tensor Net function and the characteristic time property of neural learning. First, we reinterpret the learning rate as a time step in a continuous system. This transforms neural learning from discrete optimization into continuous-time evolution. We show that learning dynamics remain consistent when the product of learning rate and iteration steps stays constant. This reveals a time-invariant behavior and identifies an intrinsic timescale of the network. Second, we define the Tensor Net function as a measure that captures the relationship between decision probabilities, entropy gradients, and knowledge change. Additionally, we define its zero-crossing as the equilibrium state between decision probabilities and entropy gradients. We show that the convergence of entropy and knowledge flow provides a natural stopping condition, replacing arbitrary thresholds with an information-theoretic criterion. We also establish that SKA dynamics satisfy a variational principle based on the Euler-Lagrange equation. These findings extend SKA into a continuous and self-organizing learning model. The framework links computational learning with physical systems that evolve by natural laws. By understanding learning as a time-based process, we open new directions for building efficient, robust, and biologically-inspired AI systems.

Although Large Language Models have advanced Automated Heuristic Design, treating algorithm evolution as a monolithic text generation task overlooks the coupling between discrete algorithmic structures and continuous numerical parameters. Consequently, existing methods often discard promising algorithms due to uncalibrated constants and suffer from premature convergence resulting from simple similarity metrics. To address these limitations, we propose TIDE, a Tuning-Integrated Dynamic Evolution framework designed to decouple structural reasoning from parameter optimization. TIDE features a nested architecture where an outer parallel island model utilizes Tree Similarity Edit Distance to drive structural diversity, while an inner loop integrates LLM-based logic generation with a differential mutation operator for parameter tuning. Additionally, a UCB-based scheduler dynamically prioritizes high-yield prompt strategies to optimize resource allocation. Extensive experiments across nine combinatorial optimization problems demonstrate that TIDE discovers heuristics that significantly outperform state-of-the-art baselines in solution quality while achieving improved search efficiency and reduced computational costs.

Many proteins useful in modern medicine or bioengineering are challenging to make in the lab, fuse with other proteins in cells, or deliver to tissues in the body, because their sequences are too long. Shortening these sequences typically involves costly, time-consuming experimental campaigns. Ideally, we could instead use modern models of massive databases of sequences from nature to learn how to propose shrunken proteins that resemble sequences found in nature. Unfortunately, these models struggle to efficiently search the combinatorial space of all deletions, and are not trained with inductive biases to learn how to delete. To address this gap, we propose SCISOR, a novel discrete diffusion model that deletes letters from sequences to generate protein samples that resemble those found in nature. To do so, SCISOR trains a de-noiser to reverse a forward noising process that adds random insertions to natural sequences. As a generative model, SCISOR fits evolutionary sequence data competitively with previous large models. In evaluation, SCISOR achieves state-of-the-art predictions of the functional effects of deletions on ProteinGym. Finally, we use the SCISOR de-noiser to shrink long protein sequences, and show that its suggested deletions result in significantly more realistic proteins and more often preserve functional motifs than previous models of evolutionary sequences.

Common deep learning approaches for antibody engineering focus on modeling the marginal distribution of sequences. By treating sequences as independent samples, however, these methods overlook affinity maturation as a rich and largely untapped source of information about the evolutionary process by which antibodies explore the underlying fitness landscape. In contrast, classical phylogenetic models explicitly represent evolutionary dynamics but lack the expressivity to capture complex epistatic interactions. We bridge this gap with CoSiNE, a continuous-time Markov chain parameterized by a deep neural network. Mathematically, we prove that CoSiNE provides a first-order approximation to the intractable sequential point mutation process, capturing epistatic effects with an error bound that is quadratic in branch length. Empirically, CoSiNE outperforms state-of-the-art language models in zero-shot variant effect prediction by explicitly disentangling selection from context-dependent somatic hypermutation. Finally, we introduce Guided Gillespie, a classifier-guided sampling scheme that steers CoSiNE at inference time, enabling efficient optimization of antibody binding affinity toward specific antigens.

The emergence of multi-agent systems built from large language models (LLMs) offers a promising paradigm for scalable collective intelligence and self-evolution. Ideally, such systems would achieve continuous self-improvement in a fully closed loop while maintaining robust safety alignment--a combination we term the self-evolution trilemma. However, we demonstrate both theoretically and empirically that an agent society satisfying continuous self-evolution, complete isolation, and safety invariance is impossible. Drawing on an information-theoretic framework, we formalize safety as the divergence degree from anthropic value distributions. We theoretically demonstrate that isolated self-evolution induces statistical blind spots, leading to the irreversible degradation of the system's safety alignment. Empirical and qualitative results from an open-ended agent community (Moltbook) and two closed self-evolving systems reveal phenomena that align with our theoretical prediction of inevitable safety erosion. We further propose several solution directions to alleviate the identified safety concern. Our work establishes a fundamental limit on the self-evolving AI societies and shifts the discourse from symptom-driven safety patches to a principled understanding of intrinsic dynamical risks, highlighting the need for external oversight or novel safety-preserving mechanisms.

Large language models (LLMs) undergo a three-phase training process: unsupervised pre-training, supervised fine-tuning (SFT), and learning from human feedback (RLHF/DPO). Notably, it is during the final phase that these models are exposed to negative examples -- incorrect, rejected, or suboptimal responses to queries. This paper delves into the role of negative examples in the training of LLMs, using a likelihood-ratio (Likra) model on multiple-choice question answering benchmarks to precisely manage the influence and the volume of negative examples. Our findings reveal three key insights: (1) During a critical phase in training, Likra with negative examples demonstrates a significantly larger improvement per training example compared to SFT using only positive examples. This leads to a sharp jump in the learning curve for Likra unlike the smooth and gradual improvement of SFT; (2) negative examples that are plausible but incorrect (near-misses) exert a greater influence; and (3) while training with positive examples fails to significantly decrease the likelihood of plausible but incorrect answers, training with negative examples more accurately identifies them. These results indicate a potentially significant role for negative examples in improving accuracy and reducing hallucinations for LLMs.

The paradigm of automated program generation is shifting from one-shot generation to inference-time search, where Large Language Models (LLMs) function as semantic mutation operators within evolutionary loops. While effective, these systems are currently governed by static schedules that fail to account for the non-stationary dynamics of the search process. This rigidity results in substantial computational waste, as resources are indiscriminately allocated to stagnating populations while promising frontiers remain under-exploited. We introduce AdaEvolve, a framework that reformulates LLM-driven evolution as a hierarchical adaptive optimization problem. AdaEvolve uses an "accumulated improvement signal" to unify decisions across three levels: Local Adaptation, which dynamically modulates the exploration intensity within a population of solution candidates; Global Adaptation, which routes the global resource budget via bandit-based scheduling across different solution candidate populations; and Meta-Guidance which generates novel solution tactics based on the previously generated solutions and their corresponding improvements when the progress stalls. We demonstrate that AdaEvolve consistently outperforms the open-sourced baselines across 185 different open-ended optimization problems including combinatorial, systems optimization and algorithm design problems.

Online reinforcement learning (RL) has been central to post-training language models, but its extension to diffusion models remains challenging due to intractable likelihoods. Recent works discretize the reverse sampling process to enable GRPO-style training, yet they inherit fundamental drawbacks, including solver restrictions, forward-reverse inconsistency, and complicated integration with classifier-free guidance (CFG). We introduce Diffusion Negative-aware FineTuning (DiffusionNFT), a new online RL paradigm that optimizes diffusion models directly on the forward process via flow matching. DiffusionNFT contrasts positive and negative generations to define an implicit policy improvement direction, naturally incorporating reinforcement signals into the supervised learning objective. This formulation enables training with arbitrary black-box solvers, eliminates the need for likelihood estimation, and requires only clean images rather than sampling trajectories for policy optimization. DiffusionNFT is up to 25times more efficient than FlowGRPO in head-to-head comparisons, while being CFG-free. For instance, DiffusionNFT improves the GenEval score from 0.24 to 0.98 within 1k steps, while FlowGRPO achieves 0.95 with over 5k steps and additional CFG employment. By leveraging multiple reward models, DiffusionNFT significantly boosts the performance of SD3.5-Medium in every benchmark tested.

Mediation analysis learns the causal effect transmitted via mediator variables between treatments and outcomes and receives increasing attention in various scientific domains to elucidate causal relations. Most existing works focus on point-exposure studies where each subject only receives one treatment at a single time point. However, there are a number of applications (e.g., mobile health) where the treatments are sequentially assigned over time and the dynamic mediation effects are of primary interest. Proposing a reinforcement learning (RL) framework, we are the first to evaluate dynamic mediation effects in settings with infinite horizons. We decompose the average treatment effect into an immediate direct effect, an immediate mediation effect, a delayed direct effect, and a delayed mediation effect. Upon the identification of each effect component, we further develop robust and semi-parametrically efficient estimators under the RL framework to infer these causal effects. The superior performance of the proposed method is demonstrated through extensive numerical studies, theoretical results, and an analysis of a mobile health dataset.

The ever-increasing sensor service, though opening a precious path and providing a deluge of earth system data for deep-learning-oriented earth science, sadly introduce a daunting obstacle to their industrial level deployment. Concretely, earth science systems rely heavily on the extensive deployment of sensors, however, the data collection from sensors is constrained by complex geographical and social factors, making it challenging to achieve comprehensive coverage and uniform deployment. To alleviate the obstacle, traditional approaches to sensor deployment utilize specific algorithms to design and deploy sensors. These methods dynamically adjust the activation times of sensors to optimize the detection process across each sub-region. Regrettably, formulating an activation strategy generally based on historical observations and geographic characteristics, which make the methods and resultant models were neither simple nor practical. Worse still, the complex technical design may ultimately lead to a model with weak generalizability. In this paper, we introduce for the first time the concept of spatio-temporal data dynamic sparse training and are committed to adaptively, dynamically filtering important sensor distributions. To our knowledge, this is the first proposal (termed DynST) of an industry-level deployment optimization concept at the data level. However, due to the existence of the temporal dimension, pruning of spatio-temporal data may lead to conflicts at different timestamps. To achieve this goal, we employ dynamic merge technology, along with ingenious dimensional mapping to mitigate potential impacts caused by the temporal aspect. During the training process, DynST utilize iterative pruning and sparse training, repeatedly identifying and dynamically removing sensor perception areas that contribute the least to future predictions.

Networks have become indispensable and ubiquitous structures in many fields to model the interactions among different entities, such as friendship in social networks or protein interactions in biological graphs. A major challenge is to understand the structure and dynamics of these systems. Although networks evolve through time, most existing graph representation learning methods target only static networks. Whereas approaches have been developed for the modeling of dynamic networks, there is a lack of efficient continuous time dynamic graph representation learning methods that can provide accurate network characterization and visualization in low dimensions while explicitly accounting for prominent network characteristics such as homophily and transitivity. In this paper, we propose the Piecewise-Velocity Model (PiVeM) for the representation of continuous-time dynamic networks. It learns dynamic embeddings in which the temporal evolution of nodes is approximated by piecewise linear interpolations based on a latent distance model with piecewise constant node-specific velocities. The model allows for analytically tractable expressions of the associated Poisson process likelihood with scalable inference invariant to the number of events. We further impose a scalable Kronecker structured Gaussian Process prior to the dynamics accounting for community structure, temporal smoothness, and disentangled (uncorrelated) latent embedding dimensions optimally learned to characterize the network dynamics. We show that PiVeM can successfully represent network structure and dynamics in ultra-low two-dimensional spaces. It outperforms relevant state-of-art methods in downstream tasks such as link prediction. In summary, PiVeM enables easily interpretable dynamic network visualizations and characterizations that can further improve our understanding of the intrinsic dynamics of time-evolving networks.

Learning the underlying dynamics of single cells from snapshot data has gained increasing attention in scientific and machine learning research. The destructive measurement technique and cell proliferation/death result in unpaired and unbalanced data between snapshots, making the learning of the underlying dynamics challenging. In this paper, we propose joint Velocity-Growth Flow Matching (VGFM), a novel paradigm that jointly learns state transition and mass growth of single-cell populations via flow matching. VGFM builds an ideal single-cell dynamics containing velocity of state and growth of mass, driven by a presented two-period dynamic understanding of the static semi-relaxed optimal transport, a mathematical tool that seeks the coupling between unpaired and unbalanced data. To enable practical usage, we approximate the ideal dynamics using neural networks, forming our joint velocity and growth matching framework. A distribution fitting loss is also employed in VGFM to further improve the fitting performance for snapshot data. Extensive experimental results on both synthetic and real datasets demonstrate that VGFM can capture the underlying biological dynamics accounting for mass and state variations over time, outperforming existing approaches for single-cell dynamics modeling.

Early warning signals have been proposed to forecast the possibility of a critical transition, such as the eutrophication of a lake, the collapse of a coral reef, or the end of a glacial period. Because such transitions often unfold on temporal and spatial scales that can be difficult to approach by experimental manipulation, research has often relied on historical observations as a source of natural experiments. Here we examine a critical difference between selecting systems for study based on the fact that we have observed a critical transition and those systems for which we wish to forecast the approach of a transition. This difference arises by conditionally selecting systems known to experience a transition of some sort and failing to account for the bias this introduces -- a statistical error often known as the Prosecutor's Fallacy. By analysing simulated systems that have experienced transitions purely by chance, we reveal an elevated rate of false positives in common warning signal statistics. We further demonstrate a model-based approach that is less subject to this bias than these more commonly used summary statistics. We note that experimental studies with replicates avoid this pitfall entirely.