Jürgen Schmidhuber

Haozhe Liu, Mingchen Zhuge, Bing Li et al.

Recent work on deep reinforcement learning (DRL) has pointed out that algorithmic information about good policies can be extracted from offline data which lack explicit information about executed actions. For example, videos of humans or robots may convey a lot of implicit information about rewarding action sequences, but a DRL machine that wants to profit from watching such videos must first learn by itself to identify and recognize relevant states/actions/rewards. Without relying on ground-truth annotations, our new method called Deep State Identifier learns to predict returns from episodes encoded as videos. Then it uses a kind of mask-based sensitivity analysis to extract/identify important critical states. Extensive experiments showcase our method's potential for understanding and improving agent behavior. The source code and the generated datasets are available at https://github.com/AI-Initiative-KAUST/VideoRLCS.

Deyao Zhu, Yuhui Wang, Jürgen Schmidhuber et al.

Offline RL methods have been shown to reduce the need for environment interaction by training agents using offline collected episodes. However, these methods typically require action information to be logged during data collection, which can be difficult or even impossible in some practical cases. In this paper, we investigate the potential of using action-free offline datasets to improve online reinforcement learning, name this problem Reinforcement Learning with Action-Free Offline Pretraining (AFP-RL). We introduce Action-Free Guide (AF-Guide), a method that guides online training by extracting knowledge from action-free offline datasets. AF-Guide consists of an Action-Free Decision Transformer (AFDT) implementing a variant of Upside-Down Reinforcement Learning. It learns to plan the next states from the offline dataset, and a Guided Soft Actor-Critic (Guided SAC) that learns online with guidance from AFDT. Experimental results show that AF-Guide can improve sample efficiency and performance in online training thanks to the knowledge from the action-free offline dataset. Code is available at https://github.com/Vision-CAIR/AF-Guide.

Róbert Csordás, Kazuki Irie, Jürgen Schmidhuber

How to reduce compute and memory requirements of neural networks (NNs) without sacrificing performance? Many recent works use sparse Mixtures of Experts (MoEs) to build resource-efficient large language models (LMs). Here we introduce several novel perspectives on MoEs, presenting a general framework that unifies various methods to approximate two-layer NNs (e.g., feedforward blocks of Transformers), including product-key memories (PKMs). Leveraging insights from this framework, we propose methods to improve both MoEs and PKMs. Unlike prior work that compares MoEs with dense baselines under the compute-equal condition, our evaluation condition is parameter-equal, which is crucial to properly evaluate LMs. We show that our MoEs are competitive with the dense Transformer-XL on both the WikiText-103 and enwiki8 datasets at two different scales, while being much more resource efficient. This demonstrates that MoEs are relevant not only to extremely large LMs but also to any-scale resource-efficient LMs. Our code is public.

Kazuki Irie, Francesco Faccio, Jürgen Schmidhuber

Neural ordinary differential equations (ODEs) have attracted much attention as continuous-time counterparts of deep residual neural networks (NNs), and numerous extensions for recurrent NNs have been proposed. Since the 1980s, ODEs have also been used to derive theoretical results for NN learning rules, e.g., the famous connection between Oja's rule and principal component analysis. Such rules are typically expressed as additive iterative update processes which have straightforward ODE counterparts. Here we introduce a novel combination of learning rules and Neural ODEs to build continuous-time sequence processing nets that learn to manipulate short-term memory in rapidly changing synaptic connections of other nets. This yields continuous-time counterparts of Fast Weight Programmers and linear Transformers. Our novel models outperform the best existing Neural Controlled Differential Equation based models on various time series classification tasks, while also addressing their fundamental scalability limitations. Our code is public.

Anand Gopalakrishnan, Kazuki Irie, Jürgen Schmidhuber et al.

The discovery of reusable sub-routines simplifies decision-making and planning in complex reinforcement learning problems. Previous approaches propose to learn such temporal abstractions in a purely unsupervised fashion through observing state-action trajectories gathered from executing a policy. However, a current limitation is that they process each trajectory in an entirely sequential manner, which prevents them from revising earlier decisions about sub-routine boundary points in light of new incoming information. In this work we propose SloTTAr, a fully parallel approach that integrates sequence processing Transformers with a Slot Attention module and adaptive computation for learning about the number of such sub-routines in an unsupervised fashion. We demonstrate how SloTTAr is capable of outperforming strong baselines in terms of boundary point discovery, even for sequences containing variable amounts of sub-routines, while being up to 7x faster to train on existing benchmarks.

Aleksandar Stanić, Yujin Tang, David Ha et al.

Reinforcement learning agents must generalize beyond their training experience. Prior work has focused mostly on identical training and evaluation environments. Starting from the recently introduced Crafter benchmark, a 2D open world survival game, we introduce a new set of environments suitable for evaluating some agent's ability to generalize on previously unseen (numbers of) objects and to adapt quickly (meta-learning). In Crafter, the agents are evaluated by the number of unlocked achievements (such as collecting resources) when trained for 1M steps. We show that current agents struggle to generalize, and introduce novel object-centric agents that improve over strong baselines. We also provide critical insights of general interest for future work on Crafter through several experiments. We show that careful hyper-parameter tuning improves the PPO baseline agent by a large margin and that even feedforward agents can unlock almost all achievements by relying on the inventory display. We achieve new state-of-the-art performance on the original Crafter environment. Additionally, when trained beyond 1M steps, our tuned agents can unlock almost all achievements. We show that the recurrent PPO agents improve over feedforward ones, even with the inventory information removed. We introduce CrafterOOD, a set of 15 new environments that evaluate OOD generalization. On CrafterOOD, we show that the current agents fail to generalize, whereas our novel object-centric agents achieve state-of-the-art OOD generalization while also being interpretable. Our code is public.

Kenny Young, Aditya Ramesh, Louis Kirsch et al.

Model-Based Reinforcement Learning (RL) is widely believed to have the potential to improve sample efficiency by allowing an agent to synthesize large amounts of imagined experience. Experience Replay (ER) can be considered a simple kind of model, which has proved effective at improving the stability and efficiency of deep RL. In principle, a learned parametric model could improve on ER by generalizing from real experience to augment the dataset with additional plausible experience. However, given that learned value functions can also generalize, it is not immediately obvious why model generalization should be better. Here, we provide theoretical and empirical insight into when, and how, we can expect data generated by a learned model to be useful. First, we provide a simple theorem motivating how learning a model as an intermediate step can narrow down the set of possible value functions more than learning a value function directly from data using the Bellman equation. Second, we provide an illustrative example showing empirically how a similar effect occurs in a more concrete setting with neural network function approximation. Finally, we provide extensive experiments showing the benefit of model-based learning for online RL in environments with combinatorial complexity, but factored structure that allows a learned model to generalize. In these experiments, we take care to control for other factors in order to isolate, insofar as possible, the benefit of using experience generated by a learned model relative to ER alone.

Aditya Ramesh, Louis Kirsch, Sjoerd van Steenkiste et al.

Efficient exploration in reinforcement learning is a challenging problem commonly addressed through intrinsic rewards. Recent prominent approaches are based on state novelty or variants of artificial curiosity. However, directly applying them to partially observable environments can be ineffective and lead to premature dissipation of intrinsic rewards. Here we propose random curiosity with general value functions (RC-GVF), a novel intrinsic reward function that draws upon connections between these distinct approaches. Instead of using only the current observation's novelty or a curiosity bonus for failing to predict precise environment dynamics, RC-GVF derives intrinsic rewards through predicting temporally extended general value functions. We demonstrate that this improves exploration in a hard-exploration diabolical lock problem. Furthermore, RC-GVF significantly outperforms previous methods in the absence of ground-truth episodic counts in the partially observable MiniGrid environments. Panoramic observations on MiniGrid further boost RC-GVF's performance such that it is competitive to baselines exploiting privileged information in form of episodic counts.

Róbert Csordás, Kazuki Irie, Jürgen Schmidhuber

Well-designed diagnostic tasks have played a key role in studying the failure of neural nets (NNs) to generalize systematically. Famous examples include SCAN and Compositional Table Lookup (CTL). Here we introduce CTL++, a new diagnostic dataset based on compositions of unary symbolic functions. While the original CTL is used to test length generalization or productivity, CTL++ is designed to test systematicity of NNs, that is, their capability to generalize to unseen compositions of known functions. CTL++ splits functions into groups and tests performance on group elements composed in a way not seen during training. We show that recent CTL-solving Transformer variants fail on CTL++. The simplicity of the task design allows for fine-grained control of task difficulty, as well as many insightful analyses. For example, we measure how much overlap between groups is needed by tested NNs for learning to compose. We also visualize how learned symbol representations in outputs of functions from different groups are compatible in case of success but not in case of failure. These results provide insights into failure cases reported on more complex compositions in the natural language domain. Our code is public.

Aleksandar Stanić, Dylan Ashley, Oleg Serikov et al.

The Languini Kitchen serves as both a research collective and codebase designed to empower researchers with limited computational resources to contribute meaningfully to the field of language modelling. We introduce an experimental protocol that enables model comparisons based on equivalent compute, measured in accelerator hours. The number of tokens on which a model is trained is defined by the model's throughput and the chosen compute class. Notably, this approach avoids constraints on critical hyperparameters which affect total parameters or floating-point operations. For evaluation, we pre-process an existing large, diverse, and high-quality dataset of books that surpasses existing academic benchmarks in quality, diversity, and document length. On it, we compare methods based on their empirical scaling trends which are estimated through experiments at various levels of compute. This work also provides two baseline models: a feed-forward model derived from the GPT-2 architecture and a recurrent model in the form of a novel LSTM with ten-fold throughput. While the GPT baseline achieves better perplexity throughout all our levels of compute, our LSTM baseline exhibits a predictable and more favourable scaling law. This is due to the improved throughput and the need for fewer training tokens to achieve the same decrease in test perplexity. Extrapolating the scaling laws leads of both models results in an intersection at roughly 50,000 accelerator hours. We hope this work can serve as the foundation for meaningful and reproducible language modelling research.

Francesco Faccio, Vincent Herrmann, Aditya Ramesh et al.

Goal-conditioned Reinforcement Learning (RL) aims at learning optimal policies, given goals encoded in special command inputs. Here we study goal-conditioned neural nets (NNs) that learn to generate deep NN policies in form of context-specific weight matrices, similar to Fast Weight Programmers and other methods from the 1990s. Using context commands of the form "generate a policy that achieves a desired expected return," our NN generators combine powerful exploration of parameter space with generalization across commands to iteratively find better and better policies. A form of weight-sharing HyperNetworks and policy embeddings scales our method to generate deep NNs. Experiments show how a single learned policy generator can produce policies that achieve any return seen during training. Finally, we evaluate our algorithm on a set of continuous control tasks where it exhibits competitive performance. Our code is public.

Francesco Faccio, Aditya Ramesh, Vincent Herrmann et al.

Learning to evaluate and improve policies is a core problem of Reinforcement Learning (RL). Traditional RL algorithms learn a value function defined for a single policy. A recently explored competitive alternative is to learn a single value function for many policies. Here we combine the actor-critic architecture of Parameter-Based Value Functions and the policy embedding of Policy Evaluation Networks to learn a single value function for evaluating (and thus helping to improve) any policy represented by a deep neural network (NN). The method yields competitive experimental results. In continuous control problems with infinitely many states, our value function minimizes its prediction error by simultaneously learning a small set of `probing states' and a mapping from actions produced in probing states to the policy's return. The method extracts crucial abstract knowledge about the environment in form of very few states sufficient to fully specify the behavior of many policies. A policy improves solely by changing actions in probing states, following the gradient of the value function's predictions. Surprisingly, it is possible to clone the behavior of a near-optimal policy in Swimmer-v3 and Hopper-v3 environments only by knowing how to act in 3 and 5 such learned states, respectively. Remarkably, our value function trained to evaluate NN policies is also invariant to changes of the policy architecture: we show that it allows for zero-shot learning of linear policies competitive with the best policy seen during training. Our code is public.

Louis Kirsch, Jürgen Schmidhuber

Meta Learning automates the search for learning algorithms. At the same time, it creates a dependency on human engineering on the meta-level, where meta learning algorithms need to be designed. In this paper, we investigate self-referential meta learning systems that modify themselves without the need for explicit meta optimization. We discuss the relationship of such systems to in-context and memory-based meta learning and show that self-referential neural networks require functionality to be reused in the form of parameter sharing. Finally, we propose fitness monotonic execution (FME), a simple approach to avoid explicit meta optimization. A neural network self-modifies to solve bandit and classic control tasks, improves its self-modifications, and learns how to learn, purely by assigning more computational resources to better performing solutions.

Miroslav Štrupl, Francesco Faccio, Dylan R. Ashley et al.

Upside-Down Reinforcement Learning (UDRL) is an approach for solving RL problems that does not require value functions and uses only supervised learning, where the targets for given inputs in a dataset do not change over time. Ghosh et al. proved that Goal-Conditional Supervised Learning (GCSL) -- which can be viewed as a simplified version of UDRL -- optimizes a lower bound on goal-reaching performance. This raises expectations that such algorithms may enjoy guaranteed convergence to the optimal policy in arbitrary environments, similar to certain well-known traditional RL algorithms. Here we show that for a specific episodic UDRL algorithm (eUDRL, including GCSL), this is not the case, and give the causes of this limitation. To do so, we first introduce a helpful rewrite of eUDRL as a recursive policy update. This formulation helps to disprove its convergence to the optimal policy for a wide class of stochastic environments. Finally, we provide a concrete example of a very simple environment where eUDRL diverges. Since the primary aim of this paper is to present a negative result, and the best counterexamples are the simplest ones, we restrict all discussions to finite (discrete) environments, ignoring issues of function approximation and limited sample size.

Kazuki Irie, Jürgen Schmidhuber

Work on fast weight programmers has demonstrated the effectiveness of key/value outer product-based learning rules for sequentially generating a weight matrix (WM) of a neural net (NN) by another NN or itself. However, the weight generation steps are typically not visually interpretable by humans, because the contents stored in the WM of an NN are not. Here we apply the same principle to generate natural images. The resulting fast weight painters (FPAs) learn to execute sequences of delta learning rules to sequentially generate images as sums of outer products of self-invented keys and values, one rank at a time, as if each image was a WM of an NN. We train our FPAs in the generative adversarial networks framework, and evaluate on various image datasets. We show how these generic learning rules can generate images with respectable visual quality without any explicit inductive bias for images. While the performance largely lags behind the one of specialised state-of-the-art image generators, our approach allows for visualising how synaptic learning rules iteratively produce complex connection patterns, yielding human-interpretable meaningful images. Finally, we also show that an additional convolutional U-Net (now popular in diffusion models) at the output of an FPA can learn one-step "denoising" of FPA-generated images to enhance their quality. Our code is public.

Vincent Herrmann, Louis Kirsch, Jürgen Schmidhuber

There are two important things in science: (A) Finding answers to given questions, and (B) Coming up with good questions. Our artificial scientists not only learn to answer given questions, but also continually invent new questions, by proposing hypotheses to be verified or falsified through potentially complex and time-consuming experiments, including thought experiments akin to those of mathematicians. While an artificial scientist expands its knowledge, it remains biased towards the simplest, least costly experiments that still have surprising outcomes, until they become boring. We present an empirical analysis of the automatic generation of interesting experiments. In the first setting, we investigate self-invented experiments in a reinforcement-providing environment and show that they lead to effective exploration. In the second setting, pure thought experiments are implemented as the weights of recurrent neural networks generated by a neural experiment generator. Initially interesting thought experiments may become boring over time.

Kazuki Irie, Róbert Csordás, Jürgen Schmidhuber

Unsupervised learning of discrete representations in neural networks (NNs) from continuous ones is essential for many modern applications. Vector Quantisation (VQ) has become popular for this, in particular in the context of generative models, such as Variational Auto-Encoders (VAEs), where the exponential moving average-based VQ (EMA-VQ) algorithm is often used. Here, we study an alternative VQ algorithm based on Kohonen's learning rule for the Self-Organising Map (KSOM; 1982). EMA-VQ is a special case of KSOM. KSOM is known to offer two potential benefits: empirically, it converges faster than EMA-VQ, and KSOM-generated discrete representations form a topological structure on the grid whose nodes are the discrete symbols, resulting in an artificial version of the brain's topographic map. We revisit these properties by using KSOM in VQ-VAEs for image processing. In our experiments, the speed-up compared to well-configured EMA-VQ is only observable at the beginning of training, but KSOM is generally much more robust, e.g., w.r.t. the choice of initialisation schemes.

Kazuki Irie, Jürgen Schmidhuber

Short-term memory in standard, general-purpose, sequence-processing recurrent neural networks (RNNs) is stored as activations of nodes or "neurons." Generalising feedforward NNs to such RNNs is mathematically straightforward and natural, and even historical: already in 1943, McCulloch and Pitts proposed this as a surrogate to "synaptic modifications" (in effect, generalising the Lenz-Ising model, the first non-sequence processing RNN architecture of the 1920s). A lesser known alternative approach to storing short-term memory in "synaptic connections" -- by parameterising and controlling the dynamics of a context-sensitive time-varying weight matrix through another NN -- yields another "natural" type of short-term memory in sequence processing NNs: the Fast Weight Programmers (FWPs) of the early 1990s. FWPs have seen a recent revival as generic sequence processors, achieving competitive performance across various tasks. They are formally closely related to the now popular Transformers. Here we present them in the context of artificial NNs as an abstraction of biological NNs -- a perspective that has not been stressed enough in previous FWP work. We first review aspects of FWPs for pedagogical purposes, then discuss connections to related works motivated by insights from neuroscience.

Kirolos Ataallah, Xiaoqian Shen, Eslam Abdelrahman et al.

Most current LLM-based models for video understanding can process videos within minutes. However, they struggle with lengthy videos due to challenges such as "noise and redundancy", as well as "memory and computation" constraints. In this paper, we present Goldfish, a methodology tailored for comprehending videos of arbitrary lengths. We also introduce the TVQA-long benchmark, specifically designed to evaluate models' capabilities in understanding long videos with questions in both vision and text content. Goldfish approaches these challenges with an efficient retrieval mechanism that initially gathers the top-k video clips relevant to the instruction before proceeding to provide the desired response. This design of the retrieval mechanism enables the Goldfish to efficiently process arbitrarily long video sequences, facilitating its application in contexts such as movies or television series. To facilitate the retrieval process, we developed MiniGPT4-Video that generates detailed descriptions for the video clips. In addressing the scarcity of benchmarks for long video evaluation, we adapted the TVQA short video benchmark for extended content analysis by aggregating questions from entire episodes, thereby shifting the evaluation from partial to full episode comprehension. We attained a 41.78% accuracy rate on the TVQA-long benchmark, surpassing previous methods by 14.94%. Our MiniGPT4-Video also shows exceptional performance in short video comprehension, exceeding existing state-of-the-art methods by 3.23%, 2.03%, 16.5% and 23.59% on the MSVD, MSRVTT, TGIF, and TVQA short video benchmarks, respectively. These results indicate that our models have significant improvements in both long and short-video understanding. Our models and code have been made publicly available at https://vision-cair.github.io/Goldfish_website/

Dylan R. Ashley, Vincent Herrmann, Zachary Friggstad et al.

The act of telling stories is a fundamental part of what it means to be human. This work introduces the concept of narrative information, which we define to be the overlap in information space between a story and the items that compose the story. Using contrastive learning methods, we show how modern artificial neural networks can be leveraged to distill stories and extract a representation of the narrative information. We then demonstrate how evolutionary algorithms can leverage this to extract a set of narrative templates and how these templates -- in tandem with a novel curve-fitting algorithm we introduce -- can reorder music albums to automatically induce stories in them. In the process of doing so, we give strong statistical evidence that these narrative information templates are present in existing albums. While we experiment only with music albums here, the premises of our work extend to any form of (largely) independent media.

Kazuki Irie, Róbert Csordás, Jürgen Schmidhuber

Recent studies of the computational power of recurrent neural networks (RNNs) reveal a hierarchy of RNN architectures, given real-time and finite-precision assumptions. Here we study auto-regressive Transformers with linearised attention, a.k.a. linear Transformers (LTs) or Fast Weight Programmers (FWPs). LTs are special in the sense that they are equivalent to RNN-like sequence processors with a fixed-size state, while they can also be expressed as the now-popular self-attention networks. We show that many well-known results for the standard Transformer directly transfer to LTs/FWPs. Our formal language recognition experiments demonstrate how recently proposed FWP extensions such as recurrent FWPs and self-referential weight matrices successfully overcome certain limitations of the LT, e.g., allowing for generalisation on the parity problem. Our code is public.

Mikhail Andronov, Natalia Andronova, Michael Wand et al.

Template-free SMILES-to-SMILES translation models for reaction prediction and single-step retrosynthesis are of interest for industrial applications in computer-aided synthesis planning systems due to their state-of-the-art accuracy. However, they suffer from slow inference speed. We present a method to accelerate inference in autoregressive SMILES generators through speculative decoding by copying query string subsequences into target strings in the right places. We apply our method to the molecular transformer implemented in Pytorch Lightning and achieve over 3X faster inference in reaction prediction and single-step retrosynthesis, with no loss in accuracy.

Lukas Tuggener, Thilo Stadelmann, Jürgen Schmidhuber

Humans and animals recognize objects irrespective of the beholder's point of view, which may drastically change their appearances. Artificial pattern recognizers also strive to achieve this, e.g., through translational invariance in convolutional neural networks (CNNs). However, both CNNs and vision transformers (ViTs) perform very poorly on rotated inputs. Here we present artificial mental rotation (AMR), a novel deep learning paradigm for dealing with in-plane rotations inspired by the neuro-psychological concept of mental rotation. Our simple AMR implementation works with all common CNN and ViT architectures. We test it on ImageNet, Stanford Cars, and Oxford Pet. With a top-1 error (averaged across datasets and architectures) of $0.743$, AMR outperforms the current state of the art (rotational data augmentation, average top-1 error of $0.626$) by $19\%$. We also easily transfer a trained AMR module to a downstream task to improve the performance of a pre-trained semantic segmentation model on rotated CoCo from $32.7$ to $55.2$ IoU.

Haozhe Liu, Wentian Zhang, Jinheng Xie et al.

We explore the role of attention mechanism during inference in text-conditional diffusion models. Empirical observations suggest that cross-attention outputs converge to a fixed point after several inference steps. The convergence time naturally divides the entire inference process into two phases: an initial phase for planning text-oriented visual semantics, which are then translated into images in a subsequent fidelity-improving phase. Cross-attention is essential in the initial phase but almost irrelevant thereafter. However, self-attention initially plays a minor role but becomes crucial in the second phase. These findings yield a simple and training-free method known as temporally gating the attention (TGATE), which efficiently generates images by caching and reusing attention outputs at scheduled time steps. Experimental results show when widely applied to various existing text-conditional diffusion models, TGATE accelerates these models by 10%-50%. The code of TGATE is available at https://github.com/HaozheLiu-ST/T-GATE.

Mingchen Zhuge, Wenyi Wang, Louis Kirsch et al.

Various human-designed prompt engineering techniques have been proposed to improve problem solvers based on Large Language Models (LLMs), yielding many disparate code bases. We unify these approaches by describing LLM-based agents as computational graphs. The nodes implement functions to process multimodal data or query LLMs, and the edges describe the information flow between operations. Graphs can be recursively combined into larger composite graphs representing hierarchies of inter-agent collaboration (where edges connect operations of different agents). Our novel automatic graph optimizers (1) refine node-level LLM prompts (node optimization) and (2) improve agent orchestration by changing graph connectivity (edge optimization). Experiments demonstrate that our framework can be used to efficiently develop, integrate, and automatically improve various LLM agents. The code can be found at https://github.com/metauto-ai/gptswarm.

Joonsu Gha, Vincent Herrmann, Benjamin Grewe et al.

Current object-centric learning models such as the popular SlotAttention architecture allow for unsupervised visual scene decomposition. Our novel MusicSlots method adapts SlotAttention to the audio domain, to achieve unsupervised music decomposition. Since concepts of opacity and occlusion in vision have no auditory analogues, the softmax normalization of alpha masks in the decoders of visual object-centric models is not well-suited for decomposing audio objects. MusicSlots overcomes this problem. We introduce a spectrogram-based multi-object music dataset tailored to evaluate object-centric learning on western tonal music. MusicSlots achieves good performance on unsupervised note discovery and outperforms several established baselines on supervised note property prediction tasks.

Zhiheng Liu, Weiming Ren, Haozhe Liu et al.

Unified multimodal models (UMMs) aim to jointly perform multimodal understanding and generation within a single framework. We present TUNA, a native UMM that builds a unified continuous visual representation by cascading a VAE encoder with a representation encoder. This unified representation space allows end-to-end processing of images and videos for both understanding and generation tasks. Compared to prior UMMs with decoupled representations, TUNA's unified visual space avoids representation format mismatches introduced by separate encoders, outperforming decoupled alternatives in both understanding and generation. Moreover, we observe that stronger pretrained representation encoders consistently yield better performance across all multimodal tasks, highlighting the importance of the representation encoder. Finally, in this unified setting, jointly training on both understanding and generation data allows the two tasks to benefit from each other rather than interfere. Our extensive experiments on multimodal understanding and generation benchmarks show that TUNA achieves state-of-the-art results in image and video understanding, image and video generation, and image editing, demonstrating the effectiveness and scalability of its unified representation design.

Ruibin Xiong, Yimeng Chen, Dmitrii Khizbullin et al.

Long-form writing agents require flexible integration and interaction across information retrieval, reasoning, and composition. Current approaches rely on predefined workflows and rigid thinking patterns to generate outlines before writing, resulting in constrained adaptability during writing. In this paper we propose WriteHERE, a general agent framework that achieves human-like adaptive writing through recursive task decomposition and dynamic integration of three fundamental task types: retrieval, reasoning, and composition. Our methodology features: 1) a planning mechanism that interleaves recursive task decomposition and execution, eliminating artificial restrictions on writing workflow; and 2) integration of task types that facilitates heterogeneous task decomposition. Evaluations on both fiction writing and technical report generation show that our method consistently outperforms state-of-the-art approaches across all automatic evaluation metrics, demonstrating the effectiveness and broad applicability of our proposed framework. We have publicly released our code and prompts to facilitate further research.

Haozhe Liu, Ding Liu, Mingchen Zhuge et al.

We introduce MoS (Mixture of States), a novel fusion paradigm for multimodal diffusion models that merges modalities using flexible, state-based interactions. The core of MoS is a learnable, token-wise router that creates denoising timestep- and input-dependent interactions between modalities' hidden states, precisely aligning token-level features with the diffusion trajectory. This router sparsely selects the top-$k$ hidden states and is trained with an $ε$-greedy strategy, efficiently selecting contextual features with minimal learnable parameters and negligible computational overhead. We validate our design with text-to-image generation (MoS-Image) and editing (MoS-Editing), which achieve state-of-the-art results. With only 3B to 5B parameters, our models match or surpass counterparts up to $4\times$ larger. These findings establish MoS as a flexible and compute-efficient paradigm for scaling multimodal diffusion models.

Wenyi Wang, Hisham A. Alyahya, Dylan R. Ashley et al.

Language-based agentic systems have shown great promise in recent years, transitioning from solving small-scale research problems to being deployed in challenging real-world tasks. However, optimizing these systems often requires substantial manual labor. Recent studies have demonstrated that these systems can be represented as computational graphs, enabling automatic optimization. Despite these advancements, most current efforts in Graph-based Agentic System Optimization (GASO) fail to properly assign feedback to the system's components given feedback on the system's output. To address this challenge, we formalize the concept of semantic backpropagation with semantic gradients -- a generalization that aligns several key optimization techniques, including reverse-mode automatic differentiation and the more recent TextGrad by exploiting the relationship among nodes with a common successor. This serves as a method for computing directional information about how changes to each component of an agentic system might improve the system's output. To use these gradients, we propose a method called semantic gradient descent which enables us to solve GASO effectively. Our results on both BIG-Bench Hard and GSM8K show that our approach outperforms existing state-of-the-art methods for solving GASO problems. A detailed ablation study on the LIAR dataset demonstrates the parsimonious nature of our method. A full copy of our implementation is publicly available at https://github.com/HishamAlyahya/semantic_backprop

Jacopo Di Ventura, Dylan R. Ashley, Vincent Herrmann et al.

Upside Down Reinforcement Learning (UDRL) is a promising framework for solving reinforcement learning problems which focuses on learning command-conditioned policies. In this work, we extend UDRL to the task of learning a command-conditioned generator of deep neural network policies. We accomplish this using Hypernetworks - a variant of Fast Weight Programmers, which learn to decode input commands representing a desired expected return into command-specific weight matrices. Our method, dubbed Upside Down Reinforcement Learning with Policy Generators (UDRLPG), streamlines comparable techniques by removing the need for an evaluator or critic to update the weights of the generator. To counteract the increased variance in last returns caused by not having an evaluator, we decouple the sampling probability of the buffer from the absolute number of policies in it, which, together with a simple weighting strategy, improves the empirical convergence of the algorithm. Compared with existing algorithms, UDRLPG achieves competitive performance and high returns, sometimes outperforming more complex architectures. Our experiments show that a trained generator can generalize to create policies that achieve unseen returns zero-shot. The proposed method appears to be effective in mitigating some of the challenges associated with learning highly multimodal functions. Altogether, we believe that UDRLPG represents a promising step forward in achieving greater empirical sample efficiency in RL. A full implementation of UDRLPG is publicly available at https://github.com/JacopoD/udrlpg_

Vincent Herrmann, Eric Alcaide, Michael Wand et al.

Measuring the in-context computational effort of language models is a key challenge, as metrics like next-token loss fail to capture reasoning complexity. Prior methods based on latent state compressibility can be invasive and unstable. We propose Multiple Token Divergence (MTD), a simple measure of computational effort defined as the KL divergence between a model's full output distribution and that of a shallow, auxiliary prediction head. MTD can be computed directly from pre-trained models with multiple prediction heads, requiring no additional training. Building on this, we introduce Divergence Steering, a novel decoding method to control the computational character of generated text. We empirically show that MTD is more effective than prior methods at distinguishing complex tasks from simple ones. On mathematical reasoning benchmarks, MTD correlates positively with problem difficulty. Lower MTD is associated with more accurate reasoning. MTD provides a practical, lightweight tool for analyzing and steering the computational dynamics of language models.

Yilan Zhang, Li Nanbo, Changchun Yang et al.

The integration of histology images and gene profiles has shown great promise for improving survival prediction in cancer. However, current approaches often struggle to model intra- and inter-modal interactions efficiently and effectively due to the high dimensionality and complexity of the inputs. A major challenge is capturing critical prognostic events that, though few, underlie the complexity of the observed inputs and largely determine patient outcomes. These events, manifested as high-level structural signals such as spatial histologic patterns or pathway co-activations, are typically sparse, patient-specific, and unannotated, making them inherently difficult to uncover. To address this, we propose SlotSPE, a slot-based framework for structural prognostic event modeling. Specifically, inspired by the principle of factorial coding, we compress each patient's multimodal inputs into compact, modality-specific sets of mutually distinctive slots using slot attention. By leveraging these slot representations as encodings for prognostic events, our framework enables both efficient and effective modeling of complex intra- and inter-modal interactions, while also facilitating seamless incorporation of biological priors that enhance prognostic relevance. Extensive experiments on ten cancer benchmarks show that SlotSPE outperforms existing methods in 8 out of 10 cohorts, achieving an overall improvement of 2.9%. It remains robust under missing genomic data and delivers markedly improved interpretability through structured event decomposition.

Vincent Herrmann, Dylan R. Ashley, Jürgen Schmidhuber

Album sequencing is a critical part of the album production process. Recently, a data-driven approach was proposed that sequences general collections of independent media by extracting the narrative essence of the items in the collections. While this approach implies an album sequencing technique, it is not widely accessible to a less technical audience, requiring advanced knowledge of machine learning techniques to use. To address this, we introduce a new user-friendly web-based tool that allows a less technical audience to upload music tracks, execute this technique in one click, and subsequently presents the result in a clean visualization to the user. To both increase the number of templates available to the user and address shortcomings of previous work, we also introduce a new direct transformer-based album sequencing method. We find that our more direct method outperforms a random baseline but does not reach the same performance as the narrative essence approach. Both methods are included in our web-based user interface, and this -- alongside a full copy of our implementation -- is publicly available at https://github.com/dylanashley/automatic-album-sequencing

Dylan R. Ashley, Vincent Herrmann, Zachary Friggstad et al.

We look at how machine learning techniques that derive properties of items in a collection of independent media can be used to automatically embed stories into such collections. To do so, we use models that extract the tempo of songs to make a music playlist follow a narrative arc. Our work specifies an open-source tool that uses pre-trained neural network models to extract the global tempo of a set of raw audio files and applies these measures to create a narrative-following playlist. This tool is available at https://github.com/dylanashley/playlist-story-builder/releases/tag/v1.0.0

Đorđe Miladinović, Aleksandar Stanić, Stefan Bauer et al.

How to improve generative modeling by better exploiting spatial regularities and coherence in images? We introduce a novel neural network for building image generators (decoders) and apply it to variational autoencoders (VAEs). In our spatial dependency networks (SDNs), feature maps at each level of a deep neural net are computed in a spatially coherent way, using a sequential gating-based mechanism that distributes contextual information across 2-D space. We show that augmenting the decoder of a hierarchical VAE by spatial dependency layers considerably improves density estimation over baseline convolutional architectures and the state-of-the-art among the models within the same class. Furthermore, we demonstrate that SDN can be applied to large images by synthesizing samples of high quality and coherence. In a vanilla VAE setting, we find that a powerful SDN decoder also improves learning disentangled representations, indicating that neural architectures play an important role in this task. Our results suggest favoring spatial dependency over convolutional layers in various VAE settings. The accompanying source code is given at https://github.com/djordjemila/sdn.

Mingchen Zhuge, Changsheng Zhao, Dylan Ashley et al.

Contemporary evaluation techniques are inadequate for agentic systems. These approaches either focus exclusively on final outcomes -- ignoring the step-by-step nature of agentic systems, or require excessive manual labour. To address this, we introduce the Agent-as-a-Judge framework, wherein agentic systems are used to evaluate agentic systems. This is an organic extension of the LLM-as-a-Judge framework, incorporating agentic features that enable intermediate feedback for the entire task-solving process. We apply the Agent-as-a-Judge to the task of code generation. To overcome issues with existing benchmarks and provide a proof-of-concept testbed for Agent-as-a-Judge, we present DevAI, a new benchmark of 55 realistic automated AI development tasks. It includes rich manual annotations, like a total of 365 hierarchical user requirements. We benchmark three of the popular agentic systems using Agent-as-a-Judge and find it dramatically outperforms LLM-as-a-Judge and is as reliable as our human evaluation baseline. Altogether, we believe that Agent-as-a-Judge marks a concrete step forward for modern agentic systems -- by providing rich and reliable reward signals necessary for dynamic and scalable self-improvement.

Haozhe Liu, Shikun Liu, Zijian Zhou et al.

We introduce MarDini, a new family of video diffusion models that integrate the advantages of masked auto-regression (MAR) into a unified diffusion model (DM) framework. Here, MAR handles temporal planning, while DM focuses on spatial generation in an asymmetric network design: i) a MAR-based planning model containing most of the parameters generates planning signals for each masked frame using low-resolution input; ii) a lightweight generation model uses these signals to produce high-resolution frames via diffusion de-noising. MarDini's MAR enables video generation conditioned on any number of masked frames at any frame positions: a single model can handle video interpolation (e.g., masking middle frames), image-to-video generation (e.g., masking from the second frame onward), and video expansion (e.g., masking half the frames). The efficient design allocates most of the computational resources to the low-resolution planning model, making computationally expensive but important spatio-temporal attention feasible at scale. MarDini sets a new state-of-the-art for video interpolation; meanwhile, within few inference steps, it efficiently generates videos on par with those of much more expensive advanced image-to-video models.

Róbert Csordás, Piotr Piękos, Kazuki Irie et al.

Despite many recent works on Mixture of Experts (MoEs) for resource-efficient Transformer language models, existing methods mostly focus on MoEs for feedforward layers. Previous attempts at extending MoE to the self-attention layer fail to match the performance of the parameter-matched baseline. Our novel SwitchHead is an effective MoE method for the attention layer that successfully reduces both the compute and memory requirements, achieving wall-clock speedup, while matching the language modeling performance of the baseline Transformer. Our novel MoE mechanism allows SwitchHead to compute up to 8 times fewer attention matrices than the standard Transformer. SwitchHead can also be combined with MoE feedforward layers, resulting in fully-MoE "SwitchAll" Transformers. For our 262M parameter model trained on C4, SwitchHead matches the perplexity of standard models with only 44% compute and 27% memory usage. Zero-shot experiments on downstream tasks confirm the performance of SwitchHead, e.g., achieving more than 3.5% absolute improvements on BliMP compared to the baseline with an equal compute resource.

Vincent Herrmann, Francesco Faccio, Jürgen Schmidhuber

Recurrent Neural Networks (RNNs) are general-purpose parallel-sequential computers. The program of an RNN is its weight matrix. How to learn useful representations of RNN weights that facilitate RNN analysis as well as downstream tasks? While the mechanistic approach directly looks at some RNN's weights to predict its behavior, the functionalist approach analyzes its overall functionality-specifically, its input-output mapping. We consider several mechanistic approaches for RNN weights and adapt the permutation equivariant Deep Weight Space layer for RNNs. Our two novel functionalist approaches extract information from RNN weights by 'interrogating' the RNN through probing inputs. We develop a theoretical framework that demonstrates conditions under which the functionalist approach can generate rich representations that help determine RNN behavior. We release the first two 'model zoo' datasets for RNN weight representation learning. One consists of generative models of a class of formal languages, and the other one of classifiers of sequentially processed MNIST digits. With the help of an emulation-based self-supervised learning technique we compare and evaluate the different RNN weight encoding techniques on multiple downstream applications. On the most challenging one, namely predicting which exact task the RNN was trained on, functionalist approaches show clear superiority.

Piotr Piękos, Róbert Csordás, Jürgen Schmidhuber

Recent advances in large language models highlighted the excessive quadratic cost of self-attention. Despite the significant research efforts, subquadratic attention methods still suffer from inferior performance in practice. We hypothesize that dynamic, learned content-based sparsity can lead to more efficient attention mechanisms. We present Mixture of Sparse Attention (MoSA), a novel approach inspired by Mixture of Experts (MoE) with expert choice routing. MoSA dynamically selects tokens for each attention head, allowing arbitrary sparse attention patterns. By selecting $k$ tokens from a sequence of length $T$, MoSA reduces the computational complexity of each attention head from $O(T^2)$ to $O(k^2 + T)$. This enables using more heads within the same computational budget, allowing higher specialization. We show that among the tested sparse attention variants, MoSA is the only one that can outperform the dense baseline, sometimes with up to 27% better perplexity for an identical compute budget. MoSA can also reduce the resource usage compared to dense self-attention. Despite using torch implementation without an optimized kernel, perplexity-matched MoSA models are simultaneously faster in wall-clock time, require less memory for training, and drastically reduce the size of the KV-cache compared to the dense transformer baselines.

Jinjie Mai, Wenxuan Zhu, Haozhe Liu et al.

Reconstructing dynamic 3D scenes (i.e., 4D geometry) from monocular video is an important yet challenging problem. Conventional multiview geometry-based approaches often struggle with dynamic motion, whereas recent learning-based methods either require specialized 4D representation or sophisticated optimization. In this paper, we present Sora3R, a novel framework that taps into the rich spatiotemporal priors of large-scale video diffusion models to directly infer 4D pointmaps from casual videos. Sora3R follows a two-stage pipeline: (1) we adapt a pointmap VAE from a pretrained video VAE, ensuring compatibility between the geometry and video latent spaces; (2) we finetune a diffusion backbone in combined video and pointmap latent space to generate coherent 4D pointmaps for every frame. Sora3R operates in a fully feedforward manner, requiring no external modules (e.g., depth, optical flow, or segmentation) or iterative global alignment. Extensive experiments demonstrate that Sora3R reliably recovers both camera poses and detailed scene geometry, achieving performance on par with state-of-the-art methods for dynamic 4D reconstruction across diverse scenarios.

Yimeng Chen, Piotr Piȩkos, Mateusz Ostaszewski et al.

Evaluating the scientific discovery capabilities of large language model based agents, particularly how they cope with varying environmental complexity and utilize prior knowledge, requires specialized benchmarks currently lacking in the landscape. To address this gap, we introduce \textsc{PhysGym}, a novel benchmark suite and simulation platform for rigorously assessing LLM-based scientific reasoning in interactive physics environments. \textsc{PhysGym}'s primary contribution lies in its sophisticated control over the level of prior knowledge provided to the agent. This allows researchers to dissect agent performance along axes including the complexity of the problem and the prior knowledge levels. The benchmark comprises a suite of interactive simulations, where agents must actively probe environments, gather data sequentially under constraints and formulate hypotheses about underlying physical laws. \textsc{PhysGym} provides standardized evaluation protocols and metrics for assessing hypothesis accuracy and model fidelity. We demonstrate the benchmark's utility by presenting results from baseline LLMs, showcasing its ability to differentiate capabilities based on varying priors and task complexity.

Mikhail Andronov, Natalia Andronova, Michael Wand et al.

AI-based computer-aided synthesis planning (CASP) systems are in demand as components of AI-driven drug discovery workflows. However, the high latency of such CASP systems limits their utility for high-throughput synthesizability screening in de novo drug design. We propose a method for accelerating multi-step synthesis planning systems that rely on SMILES-to-SMILES transformers as single-step retrosynthesis models. Our approach reduces the latency of SMILES-to-SMILES transformers powering multi-step synthesis planning in AiZynthFinder through speculative beam search combined with a scalable drafting strategy called Medusa. Replacing standard beam search with our approach allows the CASP system to solve 26\% to 86\% more molecules under the same time constraints of several seconds. Our method brings AI-based CASP systems closer to meeting the strict latency requirements of high-throughput synthesizability screening and improving general user experience.

Zhiyu Zhao, Haoxuan Li, Haifeng Zhang et al. · pku

When building a world model, a common assumption is that the environment has a single, unchanging underlying causal rule, like applying Newton's laws to every situation. In reality, what appears as a drifting causal mechanism is often the manifestation of a fixed underlying mechanism seen through a narrow observational window. This brings about a problem that, when building a world model, even subtle shifts in policy or environment states can alter the very observed causal mechanisms. In this work, we introduce the \textbf{Meta-Causal Graph} as world models, a minimal unified representation that efficiently encodes the transformation rules governing how causal structures shift across different latent world states. A single Meta-Causal Graph is composed of multiple causal subgraphs, each triggered by meta state, which is in the latent state space. Building on this representation, we introduce a \textbf{Causality-Seeking Agent} whose objectives are to (1) identify the meta states that trigger each subgraph, (2) discover the corresponding causal relationships by agent curiosity-driven intervention policy, and (3) iteratively refine the Meta-Causal Graph through ongoing curiosity-driven exploration and agent experiences. Experiments on both synthetic tasks and a challenging robot arm manipulation task demonstrate that our method robustly captures shifts in causal dynamics and generalizes effectively to previously unseen contexts.

Firas Laakom, Haobo Chen, Jürgen Schmidhuber et al.

Despite substantial progress in promoting fairness in high-stake applications using machine learning models, existing methods often modify the training process, such as through regularizers or other interventions, but lack formal guarantees that fairness achieved during training will generalize to unseen data. Although overfitting with respect to prediction performance has been extensively studied, overfitting in terms of fairness loss has received far less attention. This paper proposes a theoretical framework for analyzing fairness generalization error through an information-theoretic lens. Our novel bounding technique is based on Efron-Stein inequality, which allows us to derive tight information-theoretic fairness generalization bounds with both Mutual Information (MI) and Conditional Mutual Information (CMI). Our empirical results validate the tightness and practical relevance of these bounds across diverse fairness-aware learning algorithms. Our framework offers valuable insights to guide the design of algorithms improving fairness generalization.

Haozhe Liu, Wentian Zhang, Bing Li et al.

Foundational generative models should be traceable to protect their owners and facilitate safety regulation. To achieve this, traditional approaches embed identifiers based on supervisory trigger-response signals, which are commonly known as backdoor watermarks. They are prone to failure when the model is fine-tuned with nontrigger data. Our experiments show that this vulnerability is due to energetic changes in only a few 'busy' layers during fine-tuning. This yields a novel arbitrary-in-arbitrary-out (AIAO) strategy that makes watermarks resilient to fine-tuning-based removal. The trigger-response pairs of AIAO samples across various neural network depths can be used to construct watermarked subpaths, employing Monte Carlo sampling to achieve stable verification results. In addition, unlike the existing methods of designing a backdoor for the input/output space of diffusion models, in our method, we propose to embed the backdoor into the feature space of sampled subpaths, where a mask-controlled trigger function is proposed to preserve the generation performance and ensure the invisibility of the embedded backdoor. Our empirical studies on the MS-COCO, AFHQ, LSUN, CUB-200, and DreamBooth datasets confirm the robustness of AIAO; while the verification rates of other trigger-based methods fall from ~90% to ~70% after fine-tuning, those of our method remain consistently above 90%.

Li Nanbo, Firas Laakom, Yucheng Xu et al.

World modelling is essential for understanding and predicting the dynamics of complex systems by learning both spatial and temporal dependencies. However, current frameworks, such as Transformers and selective state-space models like Mambas, exhibit limitations in efficiently encoding spatial and temporal structures, particularly in scenarios requiring long-term high-dimensional sequence modelling. To address these issues, we propose a novel recurrent framework, the \textbf{FACT}ored \textbf{S}tate-space (\textbf{FACTS}) model, for spatial-temporal world modelling. The FACTS framework constructs a graph-structured memory with a routing mechanism that learns permutable memory representations, ensuring invariance to input permutations while adapting through selective state-space propagation. Furthermore, FACTS supports parallel computation of high-dimensional sequences. We empirically evaluate FACTS across diverse tasks, including multivariate time series forecasting, object-centric world modelling, and spatial-temporal graph prediction, demonstrating that it consistently outperforms or matches specialised state-of-the-art models, despite its general-purpose world modelling design.

Anand Gopalakrishnan, Robert Csordás, Jürgen Schmidhuber et al.

The attention mechanism in a Transformer architecture matches key to query based on both content -- the what -- and position in a sequence -- the where. We present an analysis indicating that what and where are entangled in the popular RoPE rotary position embedding. This entanglement can impair performance particularly when decisions require independent matches on these two factors. We propose an improvement to RoPE, which we call Polar Coordinate Position Embeddings or PoPE, that eliminates the what-where confound. PoPE is far superior on a diagnostic task requiring indexing solely by position or by content. On autoregressive sequence modeling in music, genomic, and natural language domains, Transformers using PoPE as the positional encoding scheme outperform baselines using RoPE with respect to evaluation loss (perplexity) and downstream task performance. On language modeling, these gains persist across model scale, from 124M to 774M parameters. Crucially, PoPE shows strong zero-shot length extrapolation capabilities, whereas RoPE's performance degrades significantly on longer sequences at test time without fine tuning or the use of position-interpolation methods.

Miroslav Štrupl, Oleg Szehr, Francesco Faccio et al.

This article provides a rigorous analysis of convergence and stability of Episodic Upside-Down Reinforcement Learning, Goal-Conditioned Supervised Learning and Online Decision Transformers. These algorithms performed competitively across various benchmarks, from games to robotic tasks, but their theoretical understanding is limited to specific environmental conditions. This work initiates a theoretical foundation for algorithms that build on the broad paradigm of approaching reinforcement learning through supervised learning or sequence modeling. At the core of this investigation lies the analysis of conditions on the underlying environment, under which the algorithms can identify optimal solutions. We also assess whether emerging solutions remain stable in situations where the environment is subject to tiny levels of noise. Specifically, we study the continuity and asymptotic convergence of command-conditioned policies, values and the goal-reaching objective depending on the transition kernel of the underlying Markov Decision Process. We demonstrate that near-optimal behavior is achieved if the transition kernel is located in a sufficiently small neighborhood of a deterministic kernel. The mentioned quantities are continuous (with respect to a specific topology) at deterministic kernels, both asymptotically and after a finite number of learning cycles. The developed methods allow us to present the first explicit estimates on the convergence and stability of policies and values in terms of the underlying transition kernels. On the theoretical side we introduce a number of new concepts to reinforcement learning, like working in segment spaces, studying continuity in quotient topologies and the application of the fixed-point theory of dynamical systems. The theoretical study is accompanied by a detailed investigation of example environments and numerical experiments.