Daily Papers

Learning from changing tasks and sequential experience without forgetting the obtained knowledge is a challenging problem for artificial neural networks. In this work, we focus on two challenging problems in the paradigm of Continual Learning (CL) without involving any old data: (i) the accumulation of catastrophic forgetting caused by the gradually fading knowledge space from which the model learns the previous knowledge; (ii) the uncontrolled tug-of-war dynamics to balance the stability and plasticity during the learning of new tasks. In order to tackle these problems, we present Progressive Learning without Forgetting (PLwF) and a credit assignment regime in the optimizer. PLwF densely introduces model functions from previous tasks to construct a knowledge space such that it contains the most reliable knowledge on each task and the distribution information of different tasks, while credit assignment controls the tug-of-war dynamics by removing gradient conflict through projection. Extensive ablative experiments demonstrate the effectiveness of PLwF and credit assignment. In comparison with other CL methods, we report notably better results even without relying on any raw data.

The limited context window of contemporary large language models (LLMs) remains a huge barrier to their broader application across various domains. While continual pre-training on long-context data is a straightforward and effective solution, it incurs substantial costs in terms of data acquisition and computational resources. To alleviate this issue, we propose SharedLLM, a novel approach grounded in the design philosophy of multi-grained context compression and query-aware information retrieval. SharedLLM is composed of two short-context LLMs such as LLaMA-2, termed upper model and lower model. The lower model functions as a compressor while the upper model acts as a decoder. The upper model receives compressed, multi-grained context information from the lower model and performs context-aware modeling on the running text. Information transfer between the compressor and decoder occurs only at the lowest layers to refrain from long forward paths in the lower model and redundant cross-attention modules in the upper model. Based on this architecture, we introduce a specialized tree-style data structure to efficiently encode, store and retrieve multi-grained contextual information for text chunks. This structure, combined with a search algorithm, enables rapid encoding and retrieval of relevant information from various levels of the tree based on the input query. This entire process, wherein the sender and receiver are derived from the same LLM layer, is referred to as self-injection.

Recently, generative retrieval-based recommendation systems have emerged as a promising paradigm. However, most modern recommender systems adopt a retrieve-and-rank strategy, where the generative model functions only as a selector during the retrieval stage. In this paper, we propose OneRec, which replaces the cascaded learning framework with a unified generative model. To the best of our knowledge, this is the first end-to-end generative model that significantly surpasses current complex and well-designed recommender systems in real-world scenarios. Specifically, OneRec includes: 1) an encoder-decoder structure, which encodes the user's historical behavior sequences and gradually decodes the videos that the user may be interested in. We adopt sparse Mixture-of-Experts (MoE) to scale model capacity without proportionally increasing computational FLOPs. 2) a session-wise generation approach. In contrast to traditional next-item prediction, we propose a session-wise generation, which is more elegant and contextually coherent than point-by-point generation that relies on hand-crafted rules to properly combine the generated results. 3) an Iterative Preference Alignment module combined with Direct Preference Optimization (DPO) to enhance the quality of the generated results. Unlike DPO in NLP, a recommendation system typically has only one opportunity to display results for each user's browsing request, making it impossible to obtain positive and negative samples simultaneously. To address this limitation, We design a reward model to simulate user generation and customize the sampling strategy. Extensive experiments have demonstrated that a limited number of DPO samples can align user interest preferences and significantly improve the quality of generated results. We deployed OneRec in the main scene of Kuaishou, achieving a 1.6\% increase in watch-time, which is a substantial improvement.

Clinical dialogue represents a complex duality requiring both the empathetic fluency of natural conversation and the rigorous precision of evidence-based medicine. While Large Language Models possess unprecedented linguistic capabilities, their architectural reliance on reactive and stateless processing often favors probabilistic plausibility over factual veracity. This structural limitation has catalyzed a paradigm shift in medical AI from generative text prediction to agentic autonomy, where the model functions as a central reasoning engine capable of deliberate planning and persistent memory. Moving beyond existing reviews that primarily catalog downstream applications, this survey provides a first-principles analysis of the cognitive architecture underpinning this shift. We introduce a novel taxonomy structured along the orthogonal axes of knowledge source and agency objective to delineate the provenance of clinical knowledge against the system's operational scope. This framework facilitates a systematic analysis of the intrinsic trade-offs between creativity and reliability by categorizing methods into four archetypes: Latent Space Clinicians, Emergent Planners, Grounded Synthesizers, and Verifiable Workflow Automators. For each paradigm, we deconstruct the technical realization across the entire cognitive pipeline, encompassing strategic planning, memory management, action execution, collaboration, and evolution to reveal how distinct architectural choices balance the tension between autonomy and safety.

In this work, we present TalkCuts, a large-scale dataset designed to facilitate the study of multi-shot human speech video generation. Unlike existing datasets that focus on single-shot, static viewpoints, TalkCuts offers 164k clips totaling over 500 hours of high-quality human speech videos with diverse camera shots, including close-up, half-body, and full-body views. The dataset includes detailed textual descriptions, 2D keypoints and 3D SMPL-X motion annotations, covering over 10k identities, enabling multimodal learning and evaluation. As a first attempt to showcase the value of the dataset, we present Orator, an LLM-guided multi-modal generation framework as a simple baseline, where the language model functions as a multi-faceted director, orchestrating detailed specifications for camera transitions, speaker gesticulations, and vocal modulation. This architecture enables the synthesis of coherent long-form videos through our integrated multi-modal video generation module. Extensive experiments in both pose-guided and audio-driven settings show that training on TalkCuts significantly enhances the cinematographic coherence and visual appeal of generated multi-shot speech videos. We believe TalkCuts provides a strong foundation for future work in controllable, multi-shot speech video generation and broader multimodal learning.

In recent years, there has been a significant surge of interest in unifying image comprehension and generation within Large Language Models (LLMs). This growing interest has prompted us to explore extending this unification to videos. The core challenge lies in developing a versatile video tokenizer that captures both the spatial characteristics and temporal dynamics of videos to obtain representations for LLMs, and the representations can be further decoded into realistic video clips to enable video generation. In this work, we introduce Divot, a Diffusion-Powered Video Tokenizer, which leverages the diffusion process for self-supervised video representation learning. We posit that if a video diffusion model can effectively de-noise video clips by taking the features of a video tokenizer as the condition, then the tokenizer has successfully captured robust spatial and temporal information. Additionally, the video diffusion model inherently functions as a de-tokenizer, decoding videos from their representations. Building upon the Divot tokenizer, we present Divot-Vicuna through video-to-text autoregression and text-to-video generation by modeling the distributions of continuous-valued Divot features with a Gaussian Mixture Model. Experimental results demonstrate that our diffusion-based video tokenizer, when integrated with a pre-trained LLM, achieves competitive performance across various video comprehension and generation benchmarks. The instruction tuned Divot-Vicuna also excels in video storytelling, generating interleaved narratives and corresponding videos.

It is well established that the spectral analysis of canonically quantized four-dimensional Seiberg-Witten curves can be systematically studied via the Nekrasov-Shatashvili functions. In this paper, we explore another aspect of the relation between N=2 supersymmetric gauge theories in four dimensions and operator theory. Specifically, we study an example of an integral operator associated with Painlev\'e equations and whose spectral traces are related to correlation functions of the 2d Ising model. This operator does not correspond to a canonically quantized Seiberg-Witten curve, but its kernel can nevertheless be interpreted as the density matrix of an ideal Fermi gas. Adopting the approach of Tracy and Widom, we provide an explicit expression for its eigenfunctions via an O(2) matrix model. We then show that these eigenfunctions are computed by surface defects in SU(2) super Yang-Mills in the self-dual phase of the Omega-background. Our result also yields a strong coupling expression for such defects which resums the instanton expansion. Even though we focus on one concrete example, we expect these results to hold for a larger class of operators arising in the context of isomonodromic deformation equations.

While previous distribution shift detection approaches can identify if a shift has occurred, these approaches cannot localize which specific features have caused a distribution shift -- a critical step in diagnosing or fixing any underlying issue. For example, in military sensor networks, users will want to detect when one or more of the sensors has been compromised, and critically, they will want to know which specific sensors might be compromised. Thus, we first define a formalization of this problem as multiple conditional distribution hypothesis tests and propose both non-parametric and parametric statistical tests. For both efficiency and flexibility, we then propose to use a test statistic based on the density model score function (i.e. gradient with respect to the input) -- which can easily compute test statistics for all dimensions in a single forward and backward pass. Any density model could be used for computing the necessary statistics including deep density models such as normalizing flows or autoregressive models. We additionally develop methods for identifying when and where a shift occurs in multivariate time-series data and show results for multiple scenarios using realistic attack models on both simulated and real world data.

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing models that capture the relationship between utility function values and subsets within their respective supersets. However, these approaches tend to overlook the valuable information contained within the superset when utilizing neural networks to model set functions. In this work, we address this oversight by adopting a probabilistic perspective. Our theoretical findings demonstrate that when the target value is conditioned on both the input set and subset, it is essential to incorporate an invariant sufficient statistic of the superset into the subset of interest for effective learning. This ensures that the output value remains invariant to permutations of the subset and its corresponding superset, enabling identification of the specific superset from which the subset originated. Motivated by these insights, we propose a simple yet effective information aggregation module designed to merge the representations of subsets and supersets from a permutation invariance perspective. Comprehensive empirical evaluations across diverse tasks and datasets validate the enhanced efficacy of our approach over conventional methods, underscoring the practicality and potency of our proposed strategies in real-world contexts.

Existing Score-Based Models (SBMs) can be categorized into constrained SBMs (CSBMs) or unconstrained SBMs (USBMs) according to their parameterization approaches. CSBMs model probability density functions as Boltzmann distributions, and assign their predictions as the negative gradients of some scalar-valued energy functions. On the other hand, USBMs employ flexible architectures capable of directly estimating scores without the need to explicitly model energy functions. In this paper, we demonstrate that the architectural constraints of CSBMs may limit their modeling ability. In addition, we show that USBMs' inability to preserve the property of conservativeness may lead to degraded performance in practice. To address the above issues, we propose Quasi-Conservative Score-Based Models (QCSBMs) for keeping the advantages of both CSBMs and USBMs. Our theoretical derivations demonstrate that the training objective of QCSBMs can be efficiently integrated into the training processes by leveraging the Hutchinson's trace estimator. In addition, our experimental results on the CIFAR-10, CIFAR-100, ImageNet, and SVHN datasets validate the effectiveness of QCSBMs. Finally, we justify the advantage of QCSBMs using an example of a one-layered autoencoder.

Shape generation is the practice of producing 3D shapes as various representations for 3D content creation. Previous studies on 3D shape generation have focused on shape quality and structure, without or less considering the importance of semantic information. Consequently, such generative models often fail to preserve the semantic consistency of shape structure or enable manipulation of the semantic attributes of shapes during generation. In this paper, we proposed a novel semantic generative model named 3D Semantic Subspace Traverser that utilizes semantic attributes for category-specific 3D shape generation and editing. Our method utilizes implicit functions as the 3D shape representation and combines a novel latent-space GAN with a linear subspace model to discover semantic dimensions in the local latent space of 3D shapes. Each dimension of the subspace corresponds to a particular semantic attribute, and we can edit the attributes of generated shapes by traversing the coefficients of those dimensions. Experimental results demonstrate that our method can produce plausible shapes with complex structures and enable the editing of semantic attributes. The code and trained models are available at https://github.com/TrepangCat/3D_Semantic_Subspace_Traverser

One of the essential missions in the AI research community is to build an autonomous embodied agent that can attain high-level performance across a wide spectrum of tasks. However, acquiring reward/penalty in all open-ended tasks is unrealistic, making the Reinforcement Learning (RL) training procedure impossible. In this paper, we propose a novel cross-modal contrastive learning framework architecture, CLIP4MC, aiming to learn an RL-friendly vision-language model that serves as a reward function for open-ended tasks. Therefore, no further task-specific reward design is needed. Intuitively, it is more reasonable for the model to address the similarity between the video snippet and the language prompt at both the action and entity levels. To this end, a motion encoder is proposed to capture the motion embeddings across different intervals. The correlation scores are then used to construct the auxiliary reward signal for RL agents. Moreover, we construct a neat YouTube dataset based on the large-scale YouTube database provided by MineDojo. Specifically, two rounds of filtering operations guarantee that the dataset covers enough essential information and that the video-text pair is highly correlated. Empirically, we show that the proposed method achieves better performance on RL tasks compared with baselines.

Tucker decomposition is a powerful tensor model to handle multi-aspect data. It demonstrates the low-rank property by decomposing the grid-structured data as interactions between a core tensor and a set of object representations (factors). A fundamental assumption of such decomposition is that there are finite objects in each aspect or mode, corresponding to discrete indexes of data entries. However, real-world data is often not naturally posed in this setting. For example, geographic data is represented as continuous indexes of latitude and longitude coordinates, and cannot fit tensor models directly. To generalize Tucker decomposition to such scenarios, we propose Functional Bayesian Tucker Decomposition (FunBaT). We treat the continuous-indexed data as the interaction between the Tucker core and a group of latent functions. We use Gaussian processes (GP) as functional priors to model the latent functions. Then, we convert each GP into a state-space prior by constructing an equivalent stochastic differential equation (SDE) to reduce computational cost. An efficient inference algorithm is developed for scalable posterior approximation based on advanced message-passing techniques. The advantage of our method is shown in both synthetic data and several real-world applications. We release the code of FunBaT at https://github.com/xuangu-fang/Functional-Bayesian-Tucker-Decomposition.

Recent sequential recommendation models rely increasingly on consecutive short-term user-item interaction sequences to model user interests. These approaches have, however, raised concerns about both short- and long-term interests. (1) {\it short-term}: interaction sequences may not result from a monolithic interest, but rather from several intertwined interests, even within a short period of time, resulting in their failures to model skip behaviors; (2) {\it long-term}: interaction sequences are primarily observed sparsely at discrete intervals, other than consecutively over the long run. This renders difficulty in inferring long-term interests, since only discrete interest representations can be derived, without taking into account interest dynamics across sequences. In this study, we address these concerns by learning (1) multi-scale representations of short-term interests; and (2) dynamics-aware representations of long-term interests. To this end, we present an Interest Dynamics modeling framework using generative Neural Processes, coined IDNP, to model user interests from a functional perspective. IDNP learns a global interest function family to define each user's long-term interest as a function instantiation, manifesting interest dynamics through function continuity. Specifically, IDNP first encodes each user's short-term interactions into multi-scale representations, which are then summarized as user context. By combining latent global interest with user context, IDNP then reconstructs long-term user interest functions and predicts interactions at upcoming query timestep. Moreover, IDNP can model such interest functions even when interaction sequences are limited and non-consecutive. Extensive experiments on four real-world datasets demonstrate that our model outperforms state-of-the-arts on various evaluation metrics.

Addressing the retrieval of unsafe content from vision-language models such as CLIP is an important step towards real-world integration. Current efforts have relied on unlearning techniques that try to erase the model's knowledge of unsafe concepts. While effective in reducing unwanted outputs, unlearning limits the model's capacity to discern between safe and unsafe content. In this work, we introduce a novel approach that shifts from unlearning to an awareness paradigm by leveraging the inherent hierarchical properties of the hyperbolic space. We propose to encode safe and unsafe content as an entailment hierarchy, where both are placed in different regions of hyperbolic space. Our HySAC, Hyperbolic Safety-Aware CLIP, employs entailment loss functions to model the hierarchical and asymmetrical relations between safe and unsafe image-text pairs. This modelling, ineffective in standard vision-language models due to their reliance on Euclidean embeddings, endows the model with awareness of unsafe content, enabling it to serve as both a multimodal unsafe classifier and a flexible content retriever, with the option to dynamically redirect unsafe queries toward safer alternatives or retain the original output. Extensive experiments show that our approach not only enhances safety recognition but also establishes a more adaptable and interpretable framework for content moderation in vision-language models. Our source code is available at https://github.com/aimagelab/HySAC.

With the rapid advancement of large language models (LLMs) and vision-language models (VLMs), significant progress has been made in developing open-vocabulary robotic manipulation systems. However, many existing approaches overlook the importance of object dynamics, limiting their applicability to more complex, dynamic tasks. In this work, we introduce KUDA, an open-vocabulary manipulation system that integrates dynamics learning and visual prompting through keypoints, leveraging both VLMs and learning-based neural dynamics models. Our key insight is that a keypoint-based target specification is simultaneously interpretable by VLMs and can be efficiently translated into cost functions for model-based planning. Given language instructions and visual observations, KUDA first assigns keypoints to the RGB image and queries the VLM to generate target specifications. These abstract keypoint-based representations are then converted into cost functions, which are optimized using a learned dynamics model to produce robotic trajectories. We evaluate KUDA on a range of manipulation tasks, including free-form language instructions across diverse object categories, multi-object interactions, and deformable or granular objects, demonstrating the effectiveness of our framework. The project page is available at http://kuda-dynamics.github.io.

Work in psychology has highlighted that the geometric model of similarity standard in deep learning is not psychologically plausible because its metric properties such as symmetry do not align with human perception. In contrast, Tversky (1977) proposed an axiomatic theory of similarity based on a representation of objects as sets of features, and their similarity as a function of common and distinctive features. However, this model has not been used in deep learning before, partly due to the challenge of incorporating discrete set operations. We develop a differentiable parameterization of Tversky's similarity that is learnable through gradient descent, and derive neural network building blocks such as the Tversky projection layer, which unlike the linear projection layer can model non-linear functions such as XOR. Through experiments with image recognition and language modeling, we show that the Tversky projection layer is a beneficial replacement for the linear projection layer, which employs geometric similarity. On the NABirds image classification task, a frozen ResNet-50 adapted with a Tversky projection layer achieves a 24.7% relative accuracy improvement over the linear layer adapter baseline. With Tversky projection layers, GPT-2's perplexity on PTB decreases by 7.5%, and its parameter count by 34.8%. Finally, we propose a unified interpretation of both projection layers as computing similarities of input stimuli to learned prototypes, for which we also propose a novel visualization technique highlighting the interpretability of Tversky projection layers. Our work offers a new paradigm for thinking about the similarity model implicit in deep learning, and designing networks that are interpretable under an established theory of psychological similarity.

Aligning diffusion models to downstream tasks often requires finetuning new models or gradient-based guidance at inference time to enable sampling from the reward-tilted posterior. In this work, we explore a simple inference-time gradient-free guidance approach, called controlled denoising (CoDe), that circumvents the need for differentiable guidance functions and model finetuning. CoDe is a blockwise sampling method applied during intermediate denoising steps, allowing for alignment with downstream rewards. Our experiments demonstrate that, despite its simplicity, CoDe offers a favorable trade-off between reward alignment, prompt instruction following, and inference cost, achieving a competitive performance against the state-of-the-art baselines. Our code is available at: https://github.com/anujinho/code.

Generative models for Information Retrieval, where ranking of documents is viewed as the task of generating a query from a document's language model, were very successful in various IR tasks in the past. However, with the advent of modern deep neural networks, attention has shifted to discriminative ranking functions that model the semantic similarity of documents and queries instead. Recently, deep generative models such as GPT2 and BART have been shown to be excellent text generators, but their effectiveness as rankers have not been demonstrated yet. In this work, we revisit the generative framework for information retrieval and show that our generative approaches are as effective as state-of-the-art semantic similarity-based discriminative models for the answer selection task. Additionally, we demonstrate the effectiveness of unlikelihood losses for IR.

Language agents have achieved considerable performance on various complex tasks. Despite the incessant exploration in this field, existing language agent systems still struggle with costly, non-reproducible data reliance and face the challenge of compelling a single model for multiple functions. To this end, we introduce AutoAct, an automatic agent learning framework that does not rely on large-scale annotated data and synthetic trajectories from closed-source models (e.g., GPT-4). Given limited data with a tool library, AutoAct first automatically synthesizes planning trajectories without any assistance from humans or strong closed-source models. Then, AutoAct leverages a division-of-labor strategy to automatically differentiate based on the target task information and synthesized trajectories, producing a sub-agent group to complete the task. We conduct comprehensive experiments with different LLMs, which demonstrates that AutoAct yields better or parallel performance compared to various strong baselines. We even notice that AutoAct, when using the Llama-2-13b model, can achieve performance comparable to that of the GPT-3.5-Turbo agent. Code will be available at https://github.com/zjunlp/AutoAct.

Large language models (LLMs) have shown remarkable instruction-following capabilities and achieved impressive performances in various applications. However, the performances of LLMs depend heavily on the instructions given to them, which are typically manually tuned with substantial human efforts. Recent work has used the query-efficient Bayesian optimization (BO) algorithm to automatically optimize the instructions given to black-box LLMs. However, BO usually falls short when optimizing highly sophisticated (e.g., high-dimensional) objective functions, such as the functions mapping an instruction to the performance of an LLM. This is mainly due to the limited expressive power of the Gaussian process (GP) which is used by BO as a surrogate to model the objective function. Meanwhile, it has been repeatedly shown that neural networks (NNs), especially pre-trained transformers, possess strong expressive power and can model highly complex functions. So, we adopt a neural bandit algorithm which replaces the GP in BO by an NN surrogate to optimize instructions for black-box LLMs. More importantly, the neural bandit algorithm allows us to naturally couple the NN surrogate with the hidden representation learned by a pre-trained transformer (i.e., an open-source LLM), which significantly boosts its performance. These motivate us to propose our INSTruction optimization usIng Neural bandits Coupled with Transformers (INSTINCT) algorithm. We perform instruction optimization for ChatGPT and use extensive experiments to show that INSTINCT consistently outperforms baselines in different tasks, e.g., various instruction induction tasks and the task of improving zero-shot chain-of-thought instructions. Our code is available at https://github.com/xqlin98/INSTINCT.

When trying to gain better visibility into a machine learning model in order to understand and mitigate the associated risks, a potentially valuable source of evidence is: which training examples most contribute to a given behavior? Influence functions aim to answer a counterfactual: how would the model's parameters (and hence its outputs) change if a given sequence were added to the training set? While influence functions have produced insights for small models, they are difficult to scale to large language models (LLMs) due to the difficulty of computing an inverse-Hessian-vector product (IHVP). We use the Eigenvalue-corrected Kronecker-Factored Approximate Curvature (EK-FAC) approximation to scale influence functions up to LLMs with up to 52 billion parameters. In our experiments, EK-FAC achieves similar accuracy to traditional influence function estimators despite the IHVP computation being orders of magnitude faster. We investigate two algorithmic techniques to reduce the cost of computing gradients of candidate training sequences: TF-IDF filtering and query batching. We use influence functions to investigate the generalization patterns of LLMs, including the sparsity of the influence patterns, increasing abstraction with scale, math and programming abilities, cross-lingual generalization, and role-playing behavior. Despite many apparently sophisticated forms of generalization, we identify a surprising limitation: influences decay to near-zero when the order of key phrases is flipped. Overall, influence functions give us a powerful new tool for studying the generalization properties of LLMs.

Auxiliary function is a helpful component to improve language model's code generation ability. However, a systematic exploration of how they affect has yet to be done. In this work, we comprehensively evaluate the ability to utilize auxiliary functions encoded in recent code-pretrained language models. First, we construct a human-crafted evaluation set, called HumanExtension, which contains examples of two functions where one function assists the other. With HumanExtension, we design several experiments to examine their ability in a multifaceted way. Our evaluation processes enable a comprehensive understanding of including auxiliary functions in the prompt in terms of effectiveness and robustness. An additional implementation style analysis captures the models' various implementation patterns when they access the auxiliary function. Through this analysis, we discover the models' promising ability to utilize auxiliary functions including their self-improving behavior by implementing the two functions step-by-step. However, our analysis also reveals the model's underutilized behavior to call the auxiliary function, suggesting the future direction to enhance their implementation by eliciting the auxiliary function call ability encoded in the models. We release our code and dataset to facilitate this research direction.

We consider a family of algorithms that successively sample and minimize simple stochastic models of the objective function. We show that under reasonable conditions on approximation quality and regularity of the models, any such algorithm drives a natural stationarity measure to zero at the rate O(k^{-1/4}). As a consequence, we obtain the first complexity guarantees for the stochastic proximal point, proximal subgradient, and regularized Gauss-Newton methods for minimizing compositions of convex functions with smooth maps. The guiding principle, underlying the complexity guarantees, is that all algorithms under consideration can be interpreted as approximate descent methods on an implicit smoothing of the problem, given by the Moreau envelope. Specializing to classical circumstances, we obtain the long-sought convergence rate of the stochastic projected gradient method, without batching, for minimizing a smooth function on a closed convex set.

Green's functions are a useful technique for interpreting atmospheric state responses to changes in the spatial pattern of sea surface temperature (SST). Here we train version 2 of the Ai2 Climate Emulator (ACE2) on reference historical SST simulations of the US Department of Energy's EAMv3 global atmosphere model. We compare how well the SST Green's functions generated by ACE2 match those of EAMv3, following the protocol of the Green's Function Model Intercomparison Project (GFMIP). The spatial patterns of top-of-atmosphere (TOA) radiative response from the individual GFMIP SST patch simulations are similar for ACE and the EAMv3 reference. The derived sensitivity of global net TOA radiation sensitivity to SST patch location is qualitatively similar in ACE as in EAMv3, but there are statistically significant discrepancies for some SST patches, especially over the subtropical northeast Pacific. These discrepancies may reflect insufficient diversity in the SST patterns sampled over the course of the EAMv3 AMIP simulation used for training ACE. Both ACE and EAMv3 Green's functions reconstruct the historical record of the global annual-mean TOA radiative flux from a reference EAMv3 AMIP simulation reasonably well. Notably, under our configuration and compute resources, ACE achieves these results approximately 100 times faster in wall-clock time compared to EAMv3, highlighting its potential as a powerful and efficient tool for tackling other computationally intensive problems in climate science.

End-to-end reinforcement learning on images showed significant progress in the recent years. Data-based approach leverage data augmentation and domain randomization while representation learning methods use auxiliary losses to learn task-relevant features. Yet, reinforcement still struggles in visually diverse environments full of distractions and spurious noise. In this work, we tackle the problem of robust visual control at its core and present VIBR (View-Invariant Bellman Residuals), a method that combines multi-view training and invariant prediction to reduce out-of-distribution (OOD) generalization gap for RL based visuomotor control. Our model-free approach improve baselines performances without the need of additional representation learning objectives and with limited additional computational cost. We show that VIBR outperforms existing methods on complex visuo-motor control environment with high visual perturbation. Our approach achieves state-of the-art results on the Distracting Control Suite benchmark, a challenging benchmark still not solved by current methods, where we evaluate the robustness to a number of visual perturbators, as well as OOD generalization and extrapolation capabilities.

Serverless computing is an emerging cloud paradigm with serverless functions at its core. While serverless environments enable software developers to focus on developing applications without the need to actively manage the underlying runtime infrastructure, they open the door to a wide variety of security threats that can be challenging to mitigate with existing methods. Existing security solutions do not apply to all serverless architectures, since they require significant modifications to the serverless infrastructure or rely on third-party services for the collection of more detailed data. In this paper, we present an extendable serverless security threat detection model that leverages cloud providers' native monitoring tools to detect anomalous behavior in serverless applications. Our model aims to detect compromised serverless functions by identifying post-exploitation abnormal behavior related to different types of attacks on serverless functions, and therefore, it is a last line of defense. Our approach is not tied to any specific serverless application, is agnostic to the type of threats, and is adaptable through model adjustments. To evaluate our model's performance, we developed a serverless cybersecurity testbed in an AWS cloud environment, which includes two different serverless applications and simulates a variety of attack scenarios that cover the main security threats faced by serverless functions. Our evaluation demonstrates our model's ability to detect all implemented attacks while maintaining a negligible false alarm rate.

We introduce a Cascaded Diffusion Model (Cas-DM) that improves a Denoising Diffusion Probabilistic Model (DDPM) by effectively incorporating additional metric functions in training. Metric functions such as the LPIPS loss have been proven highly effective in consistency models derived from the score matching. However, for the diffusion counterparts, the methodology and efficacy of adding extra metric functions remain unclear. One major challenge is the mismatch between the noise predicted by a DDPM at each step and the desired clean image that the metric function works well on. To address this problem, we propose Cas-DM, a network architecture that cascades two network modules to effectively apply metric functions to the diffusion model training. The first module, similar to a standard DDPM, learns to predict the added noise and is unaffected by the metric function. The second cascaded module learns to predict the clean image, thereby facilitating the metric function computation. Experiment results show that the proposed diffusion model backbone enables the effective use of the LPIPS loss, leading to state-of-the-art image quality (FID, sFID, IS) on various established benchmarks.

Advancing the frontier of subquadratic architectures for Language Models (LMs) is crucial in the rapidly evolving field of natural language processing. Current innovations, including State Space Models, were initially celebrated for surpassing Transformer performance on language modeling tasks. However, these models have revealed deficiencies in essential In-Context Learning capabilities - a domain where the Transformer traditionally shines. The Based model emerged as a hybrid solution, blending a Linear Transformer with a kernel inspired by the Taylor expansion of exponential functions, augmented by convolutional networks. Mirroring the Transformer's in-context adeptness, it became a strong contender in the field. In our work, we present a singular, elegant alteration to the Based kernel that amplifies its In-Context Learning abilities evaluated with the Multi-Query Associative Recall task and overall language modeling process, as demonstrated on the Pile dataset.

Fine-tuning large language models (LLMs) is essential for enhancing their performance on specific tasks but is often resource-intensive due to redundant or uninformative data. To address this inefficiency, we introduce DELIFT (Data Efficient Language model Instruction Fine-Tuning), a novel algorithm that systematically optimizes data selection across the three key stages of fine-tuning: (1) instruction tuning, (2) task-specific fine-tuning (e.g., reasoning, question-answering), and (3) continual fine-tuning (e.g., incorporating new data versions). Unlike existing methods that focus on single-stage optimization or rely on computationally intensive gradient calculations, DELIFT operates efficiently across all stages. Central to our approach is a pairwise utility metric that quantifies how beneficial a data sample is for improving the model's responses to other samples, effectively measuring the informational value relative to the model's current capabilities. By leveraging different submodular functions applied to this metric, DELIFT selects diverse and optimal subsets that are useful across all stages of fine-tuning. Experiments across various tasks and model scales demonstrate that DELIFT can reduce the fine-tuning data size by up to 70% without compromising performance, offering significant computational savings and outperforming existing methods in both efficiency and efficacy.

We present an automated and efficient approach for retrieving high-quality CAD models of objects and their poses in a scene captured by a moving RGB-D camera. We first investigate various objective functions to measure similarity between a candidate CAD object model and the available data, and the best objective function appears to be a "render-and-compare" method comparing depth and mask rendering. We thus introduce a fast-search method that approximates an exhaustive search based on this objective function for simultaneously retrieving the object category, a CAD model, and the pose of an object given an approximate 3D bounding box. This method involves a search tree that organizes the CAD models and object properties including object category and pose for fast retrieval and an algorithm inspired by Monte Carlo Tree Search, that efficiently searches this tree. We show that this method retrieves CAD models that fit the real objects very well, with a speed-up factor of 10x to 120x compared to exhaustive search.

Researchers and practitioners have recently reframed powerful Large Language Models (LLMs) as agents, enabling them to automate complex tasks largely via the use of specialized functions. To facilitate the development of LLM agents, we present a novel paradigm of training LLM agents without modifying the LLM weights, which is particularly useful when the LLMs are difficult or inaccessible for modifications. Inspired by how humans continuously forge tools to adapt to real-world tasks, rather than change our biological structure to fit a static set of tools, we propose to progressively forge agent's functions to better solve the downstream tasks instead of modifying the LLM weights. By treating the functions as learnable `agent parameters' and leveraging the fundamental idea of model training in artificial intelligence, we develop AgentOptimizer that employs the LLM to update agents' functions and devise an agent training algorithm with two strategies, roll-back, and early-stop, to streamline the training process. With extensive experiments, we showcase that the agent training paradigm could significantly improve the performance of representative LLM agents in various downstream tasks. We also study the behavior of the agent training regarding aspects like the learning curve and domain transferability.

Recently, influence functions present an apparatus for achieving explainability for deep neural models by quantifying the perturbation of individual train instances that might impact a test prediction. Our objectives in this paper are twofold. First we incorporate influence functions as a feedback into the model to improve its performance. Second, in a dataset extension exercise, using influence functions to automatically identify data points that have been initially `silver' annotated by some existing method and need to be cross-checked (and corrected) by annotators to improve the model performance. To meet these objectives, in this paper, we introduce InfFeed, which uses influence functions to compute the influential instances for a target instance. Toward the first objective, we adjust the label of the target instance based on its influencer(s) label. In doing this, InfFeed outperforms the state-of-the-art baselines (including LLMs) by a maximum macro F1-score margin of almost 4% for hate speech classification, 3.5% for stance classification, and 3% for irony and 2% for sarcasm detection. Toward the second objective we show that manually re-annotating only those silver annotated data points in the extension set that have a negative influence can immensely improve the model performance bringing it very close to the scenario where all the data points in the extension set have gold labels. This allows for huge reduction of the number of data points that need to be manually annotated since out of the silver annotated extension dataset, the influence function scheme picks up ~1/1000 points that need manual correction.

Conventional Applicant Tracking Systems (ATS) tend to be inflexible keyword-matchers, and deny gifted candidates a role due to a few minor semantic mismatches. This article describes a new two-step process to design a more refined resume evaluation model based on a small language model (<600M parameters) that is finetuned using GRPO on a custom reward function. To begin with, Supervised Fine-Tuning (SFT) was used to build a solid baseline model. Second, this SFT model was also optimized with the help of Reinforcement Learning (RL) through GRPO under the guidance of a new, multi-component reward function that can holistically assess candidates beyond simple keyword matching. We indicate that the RL application presents a critical problem of reward hacking due to the initial experiments of aggressive penalties, which produces faulty, excessively negative model behaviors. We have overcome this challenge by refining the reward function repeatedly and training hyperparameters into a stable "gentle polishing process" of the reward function. Our resulting GRPO-polished model demonstrates significant real-world efficacy, achieving a final accuracy of 91% on unseen test data. The model shows a strong ability to correctly identify qualified candidates (recall of 0.85 for the 'SELECTED' class) while also showing exceptional precision (1.0), confirming its reliability. These results indicate that a properly executed, two-step fine-tuning procedure can indeed effectively refine a small language model to be able to conduct fine-tuned and human-like candidate scoring, overcoming the drawbacks of both traditional ATS and naive RL usage.

Sequential recommendation aims to predict a user's next action in large-scale recommender systems. While traditional methods often suffer from insufficient information interaction, recent generative recommendation models partially address this issue by directly generating item predictions. To better capture user intents, recent studies have introduced a reasoning process into generative recommendation, significantly improving recommendation performance. However, these approaches are constrained by the singularity of item semantic representations, facing challenges such as limited diversity in reasoning pathways and insufficient reliability in the reasoning process. To tackle these issues, we introduce REG4Rec, a reasoning-enhanced generative model that constructs multiple dynamic semantic reasoning paths alongside a self-reflection process, ensuring high-confidence recommendations. Specifically, REG4Rec utilizes an MoE-based parallel quantization codebook (MPQ) to generate multiple unordered semantic tokens for each item, thereby constructing a larger-scale diverse reasoning space. Furthermore, to enhance the reliability of reasoning, we propose a training reasoning enhancement stage, which includes Preference Alignment for Reasoning (PARS) and a Multi-Step Reward Augmentation (MSRA) strategy. PARS uses reward functions tailored for recommendation to enhance reasoning and reflection, while MSRA introduces future multi-step actions to improve overall generalization. During inference, Consistency-Oriented Self-Reflection for Pruning (CORP) is proposed to discard inconsistent reasoning paths, preventing the propagation of erroneous reasoning. Lastly, we develop an efficient offline training strategy for large-scale recommendation. Experiments on real-world datasets and online evaluations show that REG4Rec delivers outstanding performance and substantial practical value.

The paper introduces the weighted convolution, a novel approach to the convolution for signals defined on regular grids (e.g., 2D images) through the application of an optimal density function to scale the contribution of neighbouring pixels based on their distance from the central pixel. This choice differs from the traditional uniform convolution, which treats all neighbouring pixels equally. Our weighted convolution can be applied to convolutional neural network problems to improve the approximation accuracy. Given a convolutional network, we define a framework to compute the optimal density function through a minimisation model. The framework separates the optimisation of the convolutional kernel weights (using stochastic gradient descent) from the optimisation of the density function (using DIRECT-L). Experimental results on a learning model for an image-to-image task (e.g., image denoising) show that the weighted convolution significantly reduces the loss (up to 53% improvement) and increases the test accuracy compared to standard convolution. While this method increases execution time by 11%, it is robust across several hyperparameters of the learning model. Future work will apply the weighted convolution to real-case 2D and 3D image convolutional learning problems.

We propose a new uncertainty estimator for gradient-free optimisation of black-box simulators using deep generative surrogate models. Optimisation of these simulators is especially challenging for stochastic simulators and higher dimensions. To address these issues, we utilise a deep generative surrogate approach to model the black box response for the entire parameter space. We then leverage this knowledge to estimate the proposed uncertainty based on the Wasserstein distance - the Wasserstein uncertainty. This approach is employed in a posterior agnostic gradient-free optimisation algorithm that minimises regret over the entire parameter space. A series of tests were conducted to demonstrate that our method is more robust to the shape of both the black box function and the stochastic response of the black box than state-of-the-art methods, such as efficient global optimisation with a deep Gaussian process surrogate.

Deep implicit functions (DIFs) have emerged as a powerful paradigm for many computer vision tasks such as 3D shape reconstruction, generation, registration, completion, editing, and understanding. However, given a set of 3D shapes with associated covariates there is at present no shape representation method which allows to precisely represent the shapes while capturing the individual dependencies on each covariate. Such a method would be of high utility to researchers to discover knowledge hidden in a population of shapes. For scientific shape discovery, we propose a 3D Neural Additive Model for Interpretable Shape Representation (NAISR) which describes individual shapes by deforming a shape atlas in accordance to the effect of disentangled covariates. Our approach captures shape population trends and allows for patient-specific predictions through shape transfer. NAISR is the first approach to combine the benefits of deep implicit shape representations with an atlas deforming according to specified covariates. We evaluate NAISR with respect to shape reconstruction, shape disentanglement, shape evolution, and shape transfer on three datasets: 1) Starman, a simulated 2D shape dataset; 2) the ADNI hippocampus 3D shape dataset; and 3) a pediatric airway 3D shape dataset. Our experiments demonstrate that Starman achieves excellent shape reconstruction performance while retaining interpretability. Our code is available at https://github.com/uncbiag/NAISR{https://github.com/uncbiag/NAISR}.

Temporal data such as time series can be viewed as discretized measurements of the underlying function. To build a generative model for such data we have to model the stochastic process that governs it. We propose a solution by defining the denoising diffusion model in the function space which also allows us to naturally handle irregularly-sampled observations. The forward process gradually adds noise to functions, preserving their continuity, while the learned reverse process removes the noise and returns functions as new samples. To this end, we define suitable noise sources and introduce novel denoising and score-matching models. We show how our method can be used for multivariate probabilistic forecasting and imputation, and how our model can be interpreted as a neural process.

Kahneman & Tversky's prospect theory tells us that humans perceive random variables in a biased but well-defined manner; for example, humans are famously loss-averse. We show that objectives for aligning LLMs with human feedback implicitly incorporate many of these biases -- the success of these objectives (e.g., DPO) over cross-entropy minimization can partly be ascribed to them being human-aware loss functions (HALOs). However, the utility functions these methods attribute to humans still differ from those in the prospect theory literature. Using a Kahneman-Tversky model of human utility, we propose a HALO that directly maximizes the utility of generations instead of maximizing the log-likelihood of preferences, as current methods do. We call this approach Kahneman-Tversky Optimization (KTO), and it matches or exceeds the performance of preference-based methods at scales from 1B to 30B. Crucially, KTO does not need preferences -- only a binary signal of whether an output is desirable or undesirable for a given input. This makes it far easier to use in the real world, where preference data is scarce and expensive.

We present Shap-E, a conditional generative model for 3D assets. Unlike recent work on 3D generative models which produce a single output representation, Shap-E directly generates the parameters of implicit functions that can be rendered as both textured meshes and neural radiance fields. We train Shap-E in two stages: first, we train an encoder that deterministically maps 3D assets into the parameters of an implicit function; second, we train a conditional diffusion model on outputs of the encoder. When trained on a large dataset of paired 3D and text data, our resulting models are capable of generating complex and diverse 3D assets in a matter of seconds. When compared to Point-E, an explicit generative model over point clouds, Shap-E converges faster and reaches comparable or better sample quality despite modeling a higher-dimensional, multi-representation output space. We release model weights, inference code, and samples at https://github.com/openai/shap-e.

LLMs' capabilities are enhanced by using function calls to integrate various data sources or API results into the context window. Typical tools include search, web crawlers, maps, financial data, file systems, and browser usage, etc. Integrating these data sources or functions requires a standardized method. The Model Context Protocol (MCP) provides a standardized way to supply context to LLMs. However, the evaluation of LLMs and AI Agents' MCP tool use abilities suffer from several issues. First, there's a lack of comprehensive datasets or benchmarks to evaluate various MCP tools. Second, the diverse formats of response from MCP tool call execution further increase the difficulty of evaluation. Additionally, unlike existing tool-use benchmarks with high success rates in functions like programming and math functions, the success rate of real-world MCP tool is not guaranteed and varies across different MCP servers. Furthermore, the LLMs' context window also limits the number of available tools that can be called in a single run, because the textual descriptions of tool and the parameters have long token length for an LLM to process all at once. To help address the challenges of evaluating LLMs' performance on calling MCP tools, we propose MCPToolBench++, a large-scale, multi-domain AI Agent tool use benchmark. As of July 2025, this benchmark is build upon marketplace of over 4k MCP servers from more than 40 categories, collected from the MCP marketplaces and GitHub communities. The datasets consist of both single-step and multi-step tool calls across different categories. We evaluated SOTA LLMs with agentic abilities on this benchmark and reported the results.

Mainstream parameter-efficient fine-tuning (PEFT) methods, such as LoRA or Adapter, project a model's hidden states to a lower dimension, allowing pre-trained models to adapt to new data through this low-rank bottleneck. However, PEFT tasks involving multiple modalities, like vision-language (VL) tasks, require not only adaptation to new data but also learning the relationship between different modalities. Targeting at VL PEFT tasks, we propose a family of operations, called routing functions, to enhance VL alignment in the low-rank bottlenecks. The routing functions adopt linear operations and do not introduce new trainable parameters. In-depth analyses are conducted to study their behavior. In various VL PEFT settings, the routing functions significantly improve performance of the original PEFT methods, achieving over 20% improvement on VQAv2 (RoBERTa_{large}+ViT-L/16) and 30% on COCO Captioning (GPT2-medium+ViT-L/16). Also when fine-tuning a pre-trained multimodal model such as CLIP-BART, we observe smaller but consistent improvements across a range of VL PEFT tasks.

Memory footprint is one of the main limiting factors for large neural network training. In backpropagation, one needs to store the input to each operation in the computational graph. Every modern neural network model has quite a few pointwise nonlinearities in its architecture, and such operation induces additional memory costs which -- as we show -- can be significantly reduced by quantization of the gradients. We propose a systematic approach to compute optimal quantization of the retained gradients of the pointwise nonlinear functions with only a few bits per each element. We show that such approximation can be achieved by computing optimal piecewise-constant approximation of the derivative of the activation function, which can be done by dynamic programming. The drop-in replacements are implemented for all popular nonlinearities and can be used in any existing pipeline. We confirm the memory reduction and the same convergence on several open benchmarks.

Drawing upon recent advances in language model alignment, we formulate offline Reinforcement Learning as a two-stage optimization problem: First pretraining expressive generative policies on reward-free behavior datasets, then fine-tuning these policies to align with task-specific annotations like Q-values. This strategy allows us to leverage abundant and diverse behavior data to enhance generalization and enable rapid adaptation to downstream tasks using minimal annotations. In particular, we introduce Efficient Diffusion Alignment (EDA) for solving continuous control problems. EDA utilizes diffusion models for behavior modeling. However, unlike previous approaches, we represent diffusion policies as the derivative of a scalar neural network with respect to action inputs. This representation is critical because it enables direct density calculation for diffusion models, making them compatible with existing LLM alignment theories. During policy fine-tuning, we extend preference-based alignment methods like Direct Preference Optimization (DPO) to align diffusion behaviors with continuous Q-functions. Our evaluation on the D4RL benchmark shows that EDA exceeds all baseline methods in overall performance. Notably, EDA maintains about 95\% of performance and still outperforms several baselines given only 1\% of Q-labelled data during fine-tuning.

As synthetic data becomes higher quality and proliferates on the internet, machine learning models are increasingly trained on a mix of human- and machine-generated data. Despite the successful stories of using synthetic data for representation learning, using synthetic data for generative model training creates "self-consuming loops" which may lead to training instability or even collapse, unless certain conditions are met. Our paper aims to stabilize self-consuming generative model training. Our theoretical results demonstrate that by introducing an idealized correction function, which maps a data point to be more likely under the true data distribution, self-consuming loops can be made exponentially more stable. We then propose self-correction functions, which rely on expert knowledge (e.g. the laws of physics programmed in a simulator), and aim to approximate the idealized corrector automatically and at scale. We empirically validate the effectiveness of self-correcting self-consuming loops on the challenging human motion synthesis task, and observe that it successfully avoids model collapse, even when the ratio of synthetic data to real data is as high as 100%.

This paper addresses a multi-echelon inventory management problem with a complex network topology where deriving optimal ordering decisions is difficult. Deep reinforcement learning (DRL) has recently shown potential in solving such problems, while designing the neural networks in DRL remains a challenge. In order to address this, a DRL model is developed whose Q-network is based on radial basis functions. The approach can be more easily constructed compared to classic DRL models based on neural networks, thus alleviating the computational burden of hyperparameter tuning. Through a series of simulation experiments, the superior performance of this approach is demonstrated compared to the simple base-stock policy, producing a better policy in the multi-echelon system and competitive performance in the serial system where the base-stock policy is optimal. In addition, the approach outperforms current DRL approaches.

In a recent work, Laforgue et al. introduce the model of last switch dependent (LSD) bandits, in an attempt to capture nonstationary phenomena induced by the interaction between the player and the environment. Examples include satiation, where consecutive plays of the same action lead to decreased performance, or deprivation, where the payoff of an action increases after an interval of inactivity. In this work, we take a step towards understanding the approximability of planning LSD bandits, namely, the (NP-hard) problem of computing an optimal arm-pulling strategy under complete knowledge of the model. In particular, we design the first efficient constant approximation algorithm for the problem and show that, under a natural monotonicity assumption on the payoffs, its approximation guarantee (almost) matches the state-of-the-art for the special and well-studied class of recharging bandits (also known as delay-dependent). In this attempt, we develop new tools and insights for this class of problems, including a novel higher-dimensional relaxation and the technique of mirroring the evolution of virtual states. We believe that these novel elements could potentially be used for approaching richer classes of action-induced nonstationary bandits (e.g., special instances of restless bandits). In the case where the model parameters are initially unknown, we develop an online learning adaptation of our algorithm for which we provide sublinear regret guarantees against its full-information counterpart.

Language models have shown effectiveness in a variety of software applications, particularly in tasks related to automatic workflow. These models possess the crucial ability to call functions, which is essential in creating AI agents. Despite the high performance of large-scale language models in cloud environments, they are often associated with concerns over privacy and cost. Current on-device models for function calling face issues with latency and accuracy. Our research presents a new method that empowers an on-device model with 2 billion parameters to surpass the performance of GPT-4 in both accuracy and latency, and decrease the context length by 95\%. When compared to Llama-7B with a RAG-based function calling mechanism, our method enhances latency by 35-fold. This method reduces the latency to levels deemed suitable for deployment across a variety of edge devices in production environments, aligning with the performance requisites for real-world applications.

Recent advances in Large Language Models (LLMs) have shown promise in function-level code generation, yet repository-level software engineering tasks remain challenging. Current solutions predominantly rely on proprietary LLM agents, which introduce unpredictability and limit accessibility, raising concerns about data privacy and model customization. This paper investigates whether open-source LLMs can effectively address repository-level tasks without requiring agent-based approaches. We demonstrate this is possible by enabling LLMs to comprehend functions and files within codebases through their semantic information and structural dependencies. To this end, we introduce Code Graph Models (CGMs), which integrate repository code graph structures into the LLM's attention mechanism and map node attributes to the LLM's input space using a specialized adapter. When combined with an agentless graph RAG framework, our approach achieves a 43.00% resolution rate on the SWE-bench Lite benchmark using the open-source Qwen2.5-72B model. This performance ranks first among open weight models, second among methods with open-source systems, and eighth overall, surpassing the previous best open-source model-based method by 12.33%.

Transformer models, notably large language models (LLMs), have the remarkable ability to perform in-context learning (ICL) -- to perform new tasks when prompted with unseen input-output examples without any explicit model training. In this work, we study how effectively transformers can bridge between their pretraining data mixture, comprised of multiple distinct task families, to identify and learn new tasks in-context which are both inside and outside the pretraining distribution. Building on previous work, we investigate this question in a controlled setting, where we study transformer models trained on sequences of (x, f(x)) pairs rather than natural language. Our empirical results show transformers demonstrate near-optimal unsupervised model selection capabilities, in their ability to first in-context identify different task families and in-context learn within them when the task families are well-represented in their pretraining data. However when presented with tasks or functions which are out-of-domain of their pretraining data, we demonstrate various failure modes of transformers and degradation of their generalization for even simple extrapolation tasks. Together our results highlight that the impressive ICL abilities of high-capacity sequence models may be more closely tied to the coverage of their pretraining data mixtures than inductive biases that create fundamental generalization capabilities.

Backpropagation-based approaches aim to align diffusion models with reward functions through end-to-end backpropagation of the reward gradient within the denoising chain, offering a promising perspective. However, due to the computational costs and the risk of gradient explosion associated with the lengthy denoising chain, existing approaches struggle to achieve complete gradient backpropagation, leading to suboptimal results. In this paper, we introduce Shortcut-based Fine-Tuning (ShortFT), an efficient fine-tuning strategy that utilizes the shorter denoising chain. More specifically, we employ the recently researched trajectory-preserving few-step diffusion model, which enables a shortcut over the original denoising chain, and construct a shortcut-based denoising chain of shorter length. The optimization on this chain notably enhances the efficiency and effectiveness of fine-tuning the foundational model. Our method has been rigorously tested and can be effectively applied to various reward functions, significantly improving alignment performance and surpassing state-of-the-art alternatives.

Advances in peptide identification are revolutionizing our ability to decipher protein functions and accelerate therapeutic discovery. We present PDeepPP, a deep learning framework that integrates pretrained protein language models with parallel transformer-CNN architectures, achieving state-of-the-art performance in peptide characterization tasks. The model's hybrid architecture demonstrates unique capabilities in capturing both local sequence motifs and global structural features, as evidenced by 29% improved cluster separation in UMAP visualizations compared to conventional approaches. Evaluated across 33 biological recognition tasks - including post-translational modification site prediction and bioactive peptide identification - PDeepPP outperformed existing methods in 25 tasks with average AUC improvements of 4.2%. Notably, it achieved 0.9726 accuracy with PR AUC 0.9977 in antimicrobial peptide detection while reducing false negatives by 37.5% in antimalarial recognition scenarios. This framework enables accurate large-scale peptide analysis, achieving 218* acceleration over sequence-alignment-based methods while maintaining 99.5% specificity in critical glycosylation site detection.PDeepPP establishes a new paradigm for computational peptide analysis through its synergistic architecture design, enabling rapid yet precise functional annotation that bridges molecular pattern recognition with translational biomedical applications.We have made our implementation, including code, data, and pretrained models, publicly available via GitHub (https://github.com/fondress/PDeepPP) and Hugging Face (https://huggingface.co/fondress/PDeppPP).

Large language models (LLMs) trained on code completion have been shown to be capable of synthesizing simple Python programs from docstrings [1]. We find that these code-writing LLMs can be re-purposed to write robot policy code, given natural language commands. Specifically, policy code can express functions or feedback loops that process perception outputs (e.g.,from object detectors [2], [3]) and parameterize control primitive APIs. When provided as input several example language commands (formatted as comments) followed by corresponding policy code (via few-shot prompting), LLMs can take in new commands and autonomously re-compose API calls to generate new policy code respectively. By chaining classic logic structures and referencing third-party libraries (e.g., NumPy, Shapely) to perform arithmetic, LLMs used in this way can write robot policies that (i) exhibit spatial-geometric reasoning, (ii) generalize to new instructions, and (iii) prescribe precise values (e.g., velocities) to ambiguous descriptions ("faster") depending on context (i.e., behavioral commonsense). This paper presents code as policies: a robot-centric formulation of language model generated programs (LMPs) that can represent reactive policies (e.g., impedance controllers), as well as waypoint-based policies (vision-based pick and place, trajectory-based control), demonstrated across multiple real robot platforms. Central to our approach is prompting hierarchical code-gen (recursively defining undefined functions), which can write more complex code and also improves state-of-the-art to solve 39.8% of problems on the HumanEval [1] benchmark. Code and videos are available at https://code-as-policies.github.io

In this paper we explore the possibility of maximizing the information represented in spectrograms by making the spectrogram basis functions trainable. We experiment with two different tasks, namely keyword spotting (KWS) and automatic speech recognition (ASR). For most neural network models, the architecture and hyperparameters are typically fine-tuned and optimized in experiments. Input features, however, are often treated as fixed. In the case of audio, signals can be mainly expressed in two main ways: raw waveforms (time-domain) or spectrograms (time-frequency-domain). In addition, different spectrogram types are often used and tailored to fit different applications. In our experiments, we allow for this tailoring directly as part of the network. Our experimental results show that using trainable basis functions can boost the accuracy of Keyword Spotting (KWS) by 14.2 percentage points, and lower the Phone Error Rate (PER) by 9.5 percentage points. Although models using trainable basis functions become less effective as the model complexity increases, the trained filter shapes could still provide us with insights on which frequency bins are important for that specific task. From our experiments, we can conclude that trainable basis functions are a useful tool to boost the performance when the model complexity is limited.

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs propose can often be challenging to make, and are almost never compatible with automated synthesis approaches. To better enable the discovery of functional small molecules, LLMs need to learn a new molecular language that is more effective in predicting properties and inherently synced with automated synthesis technology. Current molecule LLMs are limited by representing molecules based on atoms. In this paper, we argue that just like tokenizing texts into meaning-bearing (sub-)word tokens instead of characters, molecules should be tokenized at the level of functional building blocks, i.e., parts of molecules that bring unique functions and serve as effective building blocks for real-world automated laboratory synthesis. This motivates us to propose mCLM, a modular Chemical-Language Model that comprises a bilingual language model that understands both natural language descriptions of functions and molecular blocks. mCLM front-loads synthesizability considerations while improving the predicted functions of molecules in a principled manner. mCLM, with only 3B parameters, achieves improvements in synthetic accessibility relative to 7 other leading generative AI methods including GPT-5. When tested on 122 out-of-distribution medicines using only building blocks/tokens that are compatible with automated modular synthesis, mCLM outperforms all baselines in property scores and synthetic accessibility. mCLM can also reason on multiple functions and iteratively self-improve to rescue drug candidates that failed late in clinical trials ("fallen angels").

While a number of existing approaches for building foundation model agents rely on prompting or fine-tuning with human demonstrations, it is not sufficient in dynamic environments (e.g., mobile device control). On-policy reinforcement learning (RL) should address these limitations, but collecting actual rollouts in an environment is often undesirable in truly open-ended agentic problems such as mobile device control or interacting with humans, where each unit of interaction is associated with a cost. In such scenarios, a method for policy learning that can utilize off-policy experience by learning a trained action-value function is much more effective. In this paper, we develop an approach, called Digi-Q, to train VLM-based action-value Q-functions which are then used to extract the agent policy. We study our approach in the mobile device control setting. Digi-Q trains the Q-function using offline temporal-difference (TD) learning, on top of frozen, intermediate-layer features of a VLM. Compared to fine-tuning the whole VLM, this approach saves us compute and enhances scalability. To make the VLM features amenable for representing the Q-function, we need to employ an initial phase of fine-tuning to amplify coverage over actionable information needed for value function. Once trained, we use this Q-function via a Best-of-N policy extraction operator that imitates the best action out of multiple candidate actions from the current policy as ranked by the value function, enabling policy improvement without environment interaction. Digi-Q outperforms several prior methods on user-scale device control tasks in Android-in-the-Wild, attaining 21.2% improvement over prior best-performing method. In some cases, our Digi-Q approach already matches state-of-the-art RL methods that require interaction. The project is open-sourced at https://github.com/DigiRL-agent/digiq

Large Language Models (LLMs) have shown significant potential in designing reward functions for Reinforcement Learning (RL) tasks. However, obtaining high-quality reward code often involves human intervention, numerous LLM queries, or repetitive RL training. To address these issues, we propose CARD, a LLM-driven Reward Design framework that iteratively generates and improves reward function code. Specifically, CARD includes a Coder that generates and verifies the code, while a Evaluator provides dynamic feedback to guide the Coder in improving the code, eliminating the need for human feedback. In addition to process feedback and trajectory feedback, we introduce Trajectory Preference Evaluation (TPE), which evaluates the current reward function based on trajectory preferences. If the code fails the TPE, the Evaluator provides preference feedback, avoiding RL training at every iteration and making the reward function better aligned with the task objective. Empirical results on Meta-World and ManiSkill2 demonstrate that our method achieves an effective balance between task performance and token efficiency, outperforming or matching the baselines across all tasks. On 10 out of 12 tasks, CARD shows better or comparable performance to policies trained with expert-designed rewards, and our method even surpasses the oracle on 3 tasks.

Robotic manipulation in open-world settings requires not only task execution but also the ability to detect and learn from failures. While recent advances in vision-language models (VLMs) and large language models (LLMs) have improved robots' spatial reasoning and problem-solving abilities, they still struggle with failure recognition, limiting their real-world applicability. We introduce AHA, an open-source VLM designed to detect and reason about failures in robotic manipulation using natural language. By framing failure detection as a free-form reasoning task, AHA identifies failures and provides detailed, adaptable explanations across different robots, tasks, and environments. We fine-tuned AHA using FailGen, a scalable framework that generates the first large-scale dataset of robotic failure trajectories, the AHA dataset. FailGen achieves this by procedurally perturbing successful demonstrations from simulation. Despite being trained solely on the AHA dataset, AHA generalizes effectively to real-world failure datasets, robotic systems, and unseen tasks. It surpasses the second-best model (GPT-4o in-context learning) by 10.3% and exceeds the average performance of six compared models including five state-of-the-art VLMs by 35.3% across multiple metrics and datasets. We integrate AHA into three manipulation frameworks that utilize LLMs/VLMs for reinforcement learning, task and motion planning, and zero-shot trajectory generation. AHA's failure feedback enhances these policies' performances by refining dense reward functions, optimizing task planning, and improving sub-task verification, boosting task success rates by an average of 21.4% across all three tasks compared to GPT-4 models.

We revisit the likelihood ratio between a pretrained large language model (LLM) and its finetuned variant as a criterion for out-of-distribution (OOD) detection. The intuition behind such a criterion is that, the pretrained LLM has the prior knowledge about OOD data due to its large amount of training data, and once finetuned with the in-distribution data, the LLM has sufficient knowledge to distinguish their difference. Leveraging the power of LLMs, we show that, the likelihood ratio can serve as an effective OOD detection criterion. Moreover, we apply the proposed LLM-based likelihood ratio to detect OOD questions in question-answering (QA) systems, which can be used to improve the performance of specialized LLMs for general questions. Given that likelihood can be easily obtained by the loss functions within contemporary neural network frameworks, it is straightforward to implement this approach in practice. Since both the pretrained LLMs and its various finetuned models are widely available from online platforms such as Hugging Face, our proposed criterion can be effortlessly incorporated for OOD detection without the need for further training. We conduct comprehensive evaluation across on multiple settings, including far OOD, near OOD, spam detection, and QA scenarios, to demonstrate the effectiveness of the method. Code can be found at https://github.com/andiac/LLMOODratio

In the present work, we study the dynamical evolution of an homogeneous and anisotropic, noncommutative (NC) Bianchi I (BI) model coupled to a radiation perfect fluid. Our first motivation is determining if the present model tends to an homogeneous and isotropic NC Friedmann-Robertson-Walker (FRW) model, during its evolution. In order to simplify our task, we use the Misner parametrization of the BI metric. In terms of that parametrization the BI metric has three metric functions: the scale factor a(t) and the two parameters beta_pm (t), which measure the spatial anisotropy of the model. Our second motivation is trying to describe the present accelerated expansion of the universe using noncommutativity (NCTY). The NCTY is introduced by two nontrivial Poisson brackets between some geometrical as well as matter variables of the model. We recover the description in terms of commutative variables by introducing some variables transformations that depend on the NC parameter. Using those variables transformations, we rewrite the total NC Hamiltonian of the model in terms of commutative variables. From the resulting Hamiltonian, we obtain the dynamical equations for a generic perfect fluid. In order to solve these equations, we restrict our attention to a model where the perfect fluid is radiation. We solve, numerically, these equations and compare the NC solutions to the corresponding commutative ones. The comparison shows that the NC model may be considered as a possible candidate for describing the accelerated expansion of the universe. Finally, we obtain estimates for the NC parameter and compare the main results of the NC BI model coupled to radiation with the same NC BI model coupled to other perfect fluids. As our main result, we show that the solutions, after some time, produce an isotropic universe.

Real-world analog systems intrinsically suffer from noise that can impede model convergence and accuracy on a variety of deep learning models. We demonstrate that differentiable activations like GELU and SiLU enable robust propagation of gradients which help to mitigate analog quantization error that is ubiquitous to all analog systems. We perform analysis and training of convolutional, linear, and transformer networks in the presence of quantized noise. Here, we are able to demonstrate that continuously differentiable activation functions are significantly more noise resilient over conventional rectified activations. As in the case of ReLU, the error in gradients are 100x higher than those in GELU near zero. Our findings provide guidance for selecting appropriate activations to realize performant and reliable hardware implementations across several machine learning domains such as computer vision, signal processing, and beyond.

Language model applications are becoming increasingly popular and complex, often including features like tool usage and retrieval augmentation. However, existing frameworks for such applications are often opinionated, deciding for developers how their prompts ought to be formatted and imposing limitations on customizability and reproducibility. To solve this we present Kani: a lightweight, flexible, and model-agnostic open-source framework for building language model applications. Kani helps developers implement a variety of complex features by supporting the core building blocks of chat interaction: model interfacing, chat management, and robust function calling. All Kani core functions are easily overridable and well documented to empower developers to customize functionality for their own needs. Kani thus serves as a useful tool for researchers, hobbyists, and industry professionals alike to accelerate their development while retaining interoperability and fine-grained control.

Proteins are complex biomolecules that perform a variety of crucial functions within living organisms. Designing and generating novel proteins can pave the way for many future synthetic biology applications, including drug discovery. However, it remains a challenging computational task due to the large modeling space of protein structures. In this study, we propose a latent diffusion model that can reduce the complexity of protein modeling while flexibly capturing the distribution of natural protein structures in a condensed latent space. Specifically, we propose an equivariant protein autoencoder that embeds proteins into a latent space and then uses an equivariant diffusion model to learn the distribution of the latent protein representations. Experimental results demonstrate that our method can effectively generate novel protein backbone structures with high designability and efficiency.

Recent approaches build on implicit neural representations (INRs) to propose generative models over function spaces. However, they are computationally costly when dealing with inference tasks, such as missing data imputation, or directly cannot tackle them. In this work, we propose a novel deep generative model, named VAMoH. VAMoH combines the capabilities of modeling continuous functions using INRs and the inference capabilities of Variational Autoencoders (VAEs). In addition, VAMoH relies on a normalizing flow to define the prior, and a mixture of hypernetworks to parametrize the data log-likelihood. This gives VAMoH a high expressive capability and interpretability. Through experiments on a diverse range of data types, such as images, voxels, and climate data, we show that VAMoH can effectively learn rich distributions over continuous functions. Furthermore, it can perform inference-related tasks, such as conditional super-resolution generation and in-painting, as well or better than previous approaches, while being less computationally demanding.

Ensuring safety is of paramount importance in physical human-robot interaction applications. This requires both adherence to safety constraints defined on the system state, as well as guaranteeing compliant behavior of the robot. If the underlying dynamical system is known exactly, the former can be addressed with the help of control barrier functions. The incorporation of elastic actuators in the robot's mechanical design can address the latter requirement. However, this elasticity can increase the complexity of the resulting system, leading to unmodeled dynamics, such that control barrier functions cannot directly ensure safety. In this paper, we mitigate this issue by learning the unknown dynamics using Gaussian process regression. By employing the model in a feedback linearizing control law, the safety conditions resulting from control barrier functions can be robustified to take into account model errors, while remaining feasible. In order to enforce them on-line, we formulate the derived safety conditions in the form of a second-order cone program. We demonstrate our proposed approach with simulations on a two-degree-of-freedom planar robot with elastic joints.

Reinforcement learning (RL) has been widely used in text generation to alleviate the exposure bias issue or to utilize non-parallel datasets. The reward function plays an important role in making RL training successful. However, previous reward functions are typically task-specific and sparse, restricting the use of RL. In our work, we propose a task-agnostic approach that derives a step-wise reward function directly from a model trained with teacher forcing. We additionally propose a simple modification to stabilize the RL training on non-parallel datasets with our induced reward function. Empirical results show that our method outperforms self-training and reward regression methods on several text generation tasks, confirming the effectiveness of our reward function.

Image animation brings life to the static object in the source image according to the driving video. Recent works attempt to perform motion transfer on arbitrary objects through unsupervised methods without using a priori knowledge. However, it remains a significant challenge for current unsupervised methods when there is a large pose gap between the objects in the source and driving images. In this paper, a new end-to-end unsupervised motion transfer framework is proposed to overcome such issue. Firstly, we propose thin-plate spline motion estimation to produce a more flexible optical flow, which warps the feature maps of the source image to the feature domain of the driving image. Secondly, in order to restore the missing regions more realistically, we leverage multi-resolution occlusion masks to achieve more effective feature fusion. Finally, additional auxiliary loss functions are designed to ensure that there is a clear division of labor in the network modules, encouraging the network to generate high-quality images. Our method can animate a variety of objects, including talking faces, human bodies, and pixel animations. Experiments demonstrate that our method performs better on most benchmarks than the state of the art with visible improvements in pose-related metrics.

Curriculum Learning is the presentation of samples to the machine learning model in a meaningful order instead of a random order. The main challenge of Curriculum Learning is determining how to rank these samples. The ranking of the samples is expressed by the scoring function. In this study, scoring functions were compared using data set features, using the model to be trained, and using another model and their ensemble versions. Experiments were performed for 4 images and 4 text datasets. No significant differences were found between scoring functions for text datasets, but significant improvements were obtained in scoring functions created using transfer learning compared to classical model training and other scoring functions for image datasets. It shows that different new scoring functions are waiting to be found for text classification tasks.

Deep neural networks (DNNs) are increasingly being deployed in safety-critical systems such as personal healthcare devices and self-driving cars. In such DNN-based systems, error resilience is a top priority since faults in DNN inference could lead to mispredictions and safety hazards. For latency-critical DNN inference on resource-constrained edge devices, it is nontrivial to apply conventional redundancy-based fault tolerance techniques. In this paper, we propose FitAct, a low-cost approach to enhance the error resilience of DNNs by deploying fine-grained post-trainable activation functions. The main idea is to precisely bound the activation value of each individual neuron via neuron-wise bounded activation functions so that it could prevent fault propagation in the network. To avoid complex DNN model re-training, we propose to decouple the accuracy training and resilience training and develop a lightweight post-training phase to learn these activation functions with precise bound values. Experimental results on widely used DNN models such as AlexNet, VGG16, and ResNet50 demonstrate that FitAct outperforms state-of-the-art studies such as Clip-Act and Ranger in enhancing the DNN error resilience for a wide range of fault rates while adding manageable runtime and memory space overheads.

A feature-based model explanation denotes how much each input feature contributes to a model's output for a given data point. As the number of proposed explanation functions grows, we lack quantitative evaluation criteria to help practitioners know when to use which explanation function. This paper proposes quantitative evaluation criteria for feature-based explanations: low sensitivity, high faithfulness, and low complexity. We devise a framework for aggregating explanation functions. We develop a procedure for learning an aggregate explanation function with lower complexity and then derive a new aggregate Shapley value explanation function that minimizes sensitivity.

Hyperparameter optimization can be formulated as a bilevel optimization problem, where the optimal parameters on the training set depend on the hyperparameters. We aim to adapt regularization hyperparameters for neural networks by fitting compact approximations to the best-response function, which maps hyperparameters to optimal weights and biases. We show how to construct scalable best-response approximations for neural networks by modeling the best-response as a single network whose hidden units are gated conditionally on the regularizer. We justify this approximation by showing the exact best-response for a shallow linear network with L2-regularized Jacobian can be represented by a similar gating mechanism. We fit this model using a gradient-based hyperparameter optimization algorithm which alternates between approximating the best-response around the current hyperparameters and optimizing the hyperparameters using the approximate best-response function. Unlike other gradient-based approaches, we do not require differentiating the training loss with respect to the hyperparameters, allowing us to tune discrete hyperparameters, data augmentation hyperparameters, and dropout probabilities. Because the hyperparameters are adapted online, our approach discovers hyperparameter schedules that can outperform fixed hyperparameter values. Empirically, our approach outperforms competing hyperparameter optimization methods on large-scale deep learning problems. We call our networks, which update their own hyperparameters online during training, Self-Tuning Networks (STNs).

We present a set-theoretic, proof-irrelevant model for Calculus of Constructions (CC) with predicative induction and judgmental equality in Zermelo-Fraenkel set theory with an axiom for countably many inaccessible cardinals. We use Aczel's trace encoding which is universally defined for any function type, regardless of being impredicative. Direct and concrete interpretations of simultaneous induction and mutually recursive functions are also provided by extending Dybjer's interpretations on the basis of Aczel's rule sets. Our model can be regarded as a higher-order generalization of the truth-table methods. We provide a relatively simple consistency proof of type theory, which can be used as the basis for a theorem prover.

Operationalizing large language models (LLMs) for custom, repetitive data pipelines is challenging, particularly due to their unpredictable and potentially catastrophic failures. Acknowledging the inevitability of these errors, we focus on identifying when LLMs may be generating incorrect responses when used repeatedly as part of data generation pipelines. We present SPADE, a method for automatically synthesizing assertions that identify bad LLM outputs. SPADE analyzes prompt version histories to create candidate assertion functions and then selects a minimal set that fulfills both coverage and accuracy requirements. In testing across nine different real-world LLM pipelines, SPADE efficiently reduces the number of assertions by 14% and decreases false failures by 21% when compared to simpler baselines.

Fine-tuning large language models (LLMs) on chain-of-thought (CoT) data shows that a small amount of high-quality data can outperform massive datasets. Yet, what constitutes "quality" remains ill-defined. Existing reasoning methods rely on indirect heuristics such as problem difficulty or trace length, while instruction-tuning has explored a broader range of automated selection strategies, but rarely in the context of reasoning. We propose to define reasoning data quality using influence functions, which measure the causal effect of individual CoT examples on downstream accuracy, and introduce influence-based pruning, which consistently outperforms perplexity and embedding-based baselines on math reasoning within a model family.

The success of artificial neural networks (ANNs) hinges greatly on the judicious selection of an activation function, introducing non-linearity into network and enabling them to model sophisticated relationships in data. However, the search of activation functions has largely relied on empirical knowledge in the past, lacking theoretical guidance, which has hindered the identification of more effective activation functions. In this work, we offer a proper solution to such issue. Firstly, we theoretically demonstrate the existence of the worst activation function with boundary conditions (WAFBC) from the perspective of information entropy. Furthermore, inspired by the Taylor expansion form of information entropy functional, we propose the Entropy-based Activation Function Optimization (EAFO) methodology. EAFO methodology presents a novel perspective for designing static activation functions in deep neural networks and the potential of dynamically optimizing activation during iterative training. Utilizing EAFO methodology, we derive a novel activation function from ReLU, known as Correction Regularized ReLU (CRReLU). Experiments conducted with vision transformer and its variants on CIFAR-10, CIFAR-100 and ImageNet-1K datasets demonstrate the superiority of CRReLU over existing corrections of ReLU. Extensive empirical studies on task of large language model (LLM) fine-tuning, CRReLU exhibits superior performance compared to GELU, suggesting its broader potential for practical applications.

We present a model that can perform multiple vision tasks and can be adapted to other downstream tasks efficiently. Despite considerable progress in multi-task learning, most efforts focus on learning from multi-label data: a single image set with multiple task labels. Such multi-label data sets are rare, small, and expensive. We say heterogeneous to refer to image sets with different task labels, or to combinations of single-task datasets. Few have explored training on such heterogeneous datasets. General-purpose vision models are still dominated by single-task pretraining, and it remains unclear how to scale up multi-task models by leveraging mainstream vision datasets designed for different purposes. The challenges lie in managing large intrinsic differences among vision tasks, including data distribution, architectures, task-specific modules, dataset scales, and sampling strategies. To address these challenges, we propose to modify and scale up mixture-of-experts (MoE) vision transformers, so that they can simultaneously learn classification, detection, and segmentation on diverse mainstream vision datasets including ImageNet, COCO, and ADE20K. Our approach achieves comparable results to single-task state-of-the-art models and demonstrates strong generalization on downstream tasks. Due to its emergent modularity, this general-purpose model decomposes into high-performing components, efficiently adapting to downstream tasks. We can fine-tune it with fewer training parameters, fewer model parameters, and less computation. Additionally, its modularity allows for easy expansion in continual-learning-without-forgetting scenarios. Finally, these functions can be controlled and combined to meet various demands of downstream tasks.

A growing trend for value-based reinforcement learning (RL) algorithms is to capture more information than scalar value functions in the value network. One of the most well-known methods in this branch is distributional RL, which models return distribution instead of scalar value. In another line of work, hybrid reward architectures (HRA) in RL have studied to model source-specific value functions for each source of reward, which is also shown to be beneficial in performance. To fully inherit the benefits of distributional RL and hybrid reward architectures, we introduce Multi-Dimensional Distributional DQN (MD3QN), which extends distributional RL to model the joint return distribution from multiple reward sources. As a by-product of joint distribution modeling, MD3QN can capture not only the randomness in returns for each source of reward, but also the rich reward correlation between the randomness of different sources. We prove the convergence for the joint distributional Bellman operator and build our empirical algorithm by minimizing the Maximum Mean Discrepancy between joint return distribution and its Bellman target. In experiments, our method accurately models the joint return distribution in environments with richly correlated reward functions, and outperforms previous RL methods utilizing multi-dimensional reward functions in the control setting.

Embodied navigation for long-horizon tasks, guided by complex natural language instructions, remains a formidable challenge in artificial intelligence. Existing agents often struggle with robust long-term planning about unseen environments, leading to high failure rates. To address these limitations, we introduce NavForesee, a novel Vision-Language Model (VLM) that unifies high-level language planning and predictive world model imagination within a single, unified framework. Our approach empowers a single VLM to concurrently perform planning and predictive foresight. Conditioned on the full instruction and historical observations, the model is trained to understand the navigation instructions by decomposing the task, tracking its progress, and formulating the subsequent sub-goal. Simultaneously, it functions as a generative world model, providing crucial foresight by predicting short-term environmental dynamics and long-term navigation milestones. The VLM's structured plan guides its targeted prediction, while the imagined future provides rich context to inform the navigation actions, creating a powerful internal feedback loop of perception-planning/prediction-action. We demonstrate through extensive experiments on the R2R-CE and RxR-CE benchmark that NavForesee achieves highly competitive performance in complex scenarios. Our work highlights the immense potential of fusing explicit language planning with implicit spatiotemporal prediction, paving the way for more intelligent and capable embodied agents.

We introduce the Rule-to-Tag (R2T) framework, a hybrid approach that integrates a multi-tiered system of linguistic rules directly into a neural network's training objective. R2T's novelty lies in its adaptive loss function, which includes a regularization term that teaches the model to handle out-of-vocabulary (OOV) words with principled uncertainty. We frame this work as a case study in a paradigm we call principled learning (PrL), where models are trained with explicit task constraints rather than on labeled examples alone. Our experiments on Zarma part-of-speech (POS) tagging show that the R2T-BiLSTM model, trained only on unlabeled text, achieves 98.2% accuracy, outperforming baselines like AfriBERTa fine-tuned on 300 labeled sentences. We further show that for more complex tasks like named entity recognition (NER), R2T serves as a powerful pre-training step; a model pre-trained with R2T and fine-tuned on just 50 labeled sentences outperformes a baseline trained on 300.

While reinforcement learning has advanced the reasoning abilities of Large Language Models (LLMs), these gains are largely confined to English, creating a significant performance disparity across languages. To address this, we introduce Pivot-Based Reinforcement Learning with Semantically Verifiable Rewards (PB-RLSVR), a novel framework that enhances multilingual reasoning by circumventing the need for human-annotated data in target languages. Our approach employs a high-performing English LLM as a "pivot" model to generate reference responses for reasoning tasks. A multilingual model is then rewarded based on the semantic equivalence of its responses to the English reference, effectively transferring the pivot model's reasoning capabilities across languages. We investigate several cross-lingual semantic reward functions, including those based on embeddings and machine translation. Extensive experiments on a suite of multilingual reasoning benchmarks show that our method significantly narrows the performance gap between English and other languages, substantially outperforming traditional PPO baselines. Specifically, our PB-RLSVR framework improves the average multilingual performance of Llama-3.1-8B-Instruct and Qwen3-32B by 16.41% and 10.17%, respectively, demonstrating a powerful and data-efficient approach to building truly multilingual reasoning agents.

Large Language Models (LLMs), despite their advancements, are fundamentally limited by their static parametric knowledge, hindering performance on tasks requiring open-domain up-to-date information. While enabling LLMs to interact with external knowledge environments is a promising solution, current efforts primarily address closed-end problems. Open-ended questions, which characterized by lacking a standard answer or providing non-unique and diverse answers, remain underexplored. To bridge this gap, we present O^2-Searcher, a novel search agent leveraging reinforcement learning to effectively tackle both open-ended and closed-ended questions in the open domain. O^2-Searcher leverages an efficient, locally simulated search environment for dynamic knowledge acquisition, effectively decoupling the external world knowledge from model's sophisticated reasoning processes. It employs a unified training mechanism with meticulously designed reward functions, enabling the agent to identify problem types and adapt different answer generation strategies. Furthermore, to evaluate performance on complex open-ended tasks, we construct O^2-QA, a high-quality benchmark featuring 300 manually curated, multi-domain open-ended questions with associated web page caches. Extensive experiments show that O^2-Searcher, using only a 3B model, significantly surpasses leading LLM agents on O^2-QA. It also achieves SOTA results on various closed-ended QA benchmarks against similarly-sized models, while performing on par with much larger ones.

Biological processes, functions, and properties are intricately linked to the ensemble of protein conformations, rather than being solely determined by a single stable conformation. In this study, we have developed P2DFlow, a generative model based on SE(3) flow matching, to predict the structural ensembles of proteins. We specifically designed a valuable prior for the flow process and enhanced the model's ability to distinguish each intermediate state by incorporating an additional dimension to describe the ensemble data, which can reflect the physical laws governing the distribution of ensembles, so that the prior knowledge can effectively guide the generation process. When trained and evaluated on the MD datasets of ATLAS, P2DFlow outperforms other baseline models on extensive experiments, successfully capturing the observable dynamic fluctuations as evidenced in crystal structure and MD simulations. As a potential proxy agent for protein molecular simulation, the high-quality ensembles generated by P2DFlow could significantly aid in understanding protein functions across various scenarios. Code is available at https://github.com/BLEACH366/P2DFlow

Knowledge distillation plays a key role in compressing the Large Language Models (LLMs), which boosts a small-size student model under large teacher models' guidance. However, existing LLM distillation methods overly rely on student-generated outputs, which may introduce generation errors and misguide the distillation process. Moreover, the distillation loss functions introduced in previous art struggle to align the most informative part due to the complex distribution of LLMs' outputs. To address these problems, we propose a multi-granularity semantic revision method for LLM distillation. At the sequence level, we propose a sequence correction and re-generation (SCRG) strategy. SCRG first calculates the semantic cognitive difference between the teacher and student to detect the error token, then corrects it with the teacher-generated one, and re-generates the sequence to reduce generation errors and enhance generation diversity. At the token level, we design a distribution adaptive clipping Kullback-Leibler (DAC-KL) loss as the distillation objective function. DAC-KL loss exploits a learnable sub-network to adaptively extract semantically dense areas from the teacher's output, avoiding the interference of redundant information in the distillation process. Finally, at the span level, we leverage the span priors of a sequence to compute the probability correlations within spans, and constrain the teacher and student's probability correlations to be consistent, further enhancing the transfer of semantic information. Extensive experiments across different model families with parameters ranging from 0.1B to 13B demonstrate the superiority of our method compared to existing methods.

Large language models (LLMs) have demonstrated exceptional reasoning capabilities, enabling them to solve various complex problems. Recently, this ability has been applied to the paradigm of tool learning. Tool learning involves providing examples of tool usage and their corresponding functions, allowing LLMs to formulate plans and demonstrate the process of invoking and executing each tool. LLMs can address tasks that they cannot complete independently, thereby enhancing their potential across different tasks. However, this approach faces two key challenges. First, redundant error correction leads to unstable planning and long execution time. Additionally, designing a correct plan among multiple tools is also a challenge in tool learning. To address these issues, we propose Tool-Planner, a task-processing framework based on toolkits. Tool-Planner groups tools based on the API functions with the same function into a toolkit and allows LLMs to implement planning across the various toolkits. When a tool error occurs, the language model can reselect and adjust tools based on the toolkit. Experiments show that our approach demonstrates a high pass and win rate across different datasets and optimizes the planning scheme for tool learning in models such as GPT-4 and Claude 3, showcasing the potential of our method.

Reward engineering has long been a challenge in Reinforcement Learning (RL) research, as it often requires extensive human effort and iterative processes of trial-and-error to design effective reward functions. In this paper, we propose RL-VLM-F, a method that automatically generates reward functions for agents to learn new tasks, using only a text description of the task goal and the agent's visual observations, by leveraging feedbacks from vision language foundation models (VLMs). The key to our approach is to query these models to give preferences over pairs of the agent's image observations based on the text description of the task goal, and then learn a reward function from the preference labels, rather than directly prompting these models to output a raw reward score, which can be noisy and inconsistent. We demonstrate that RL-VLM-F successfully produces effective rewards and policies across various domains - including classic control, as well as manipulation of rigid, articulated, and deformable objects - without the need for human supervision, outperforming prior methods that use large pretrained models for reward generation under the same assumptions.

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.

Recently, data augmentation (DA) has emerged as a method for leveraging domain knowledge to inexpensively generate additional data in reinforcement learning (RL) tasks, often yielding substantial improvements in data efficiency. While prior work has demonstrated the utility of incorporating augmented data directly into model-free RL updates, it is not well-understood when a particular DA strategy will improve data efficiency. In this paper, we seek to identify general aspects of DA responsible for observed learning improvements. Our study focuses on sparse-reward tasks with dynamics-invariant data augmentation functions, serving as an initial step towards a more general understanding of DA and its integration into RL training. Experimentally, we isolate three relevant aspects of DA: state-action coverage, reward density, and the number of augmented transitions generated per update (the augmented replay ratio). From our experiments, we draw two conclusions: (1) increasing state-action coverage often has a much greater impact on data efficiency than increasing reward density, and (2) decreasing the augmented replay ratio substantially improves data efficiency. In fact, certain tasks in our empirical study are solvable only when the replay ratio is sufficiently low.

Control barrier functions (CBFs) enable guaranteed safe multi-agent navigation in the continuous domain. The resulting navigation performance, however, is highly sensitive to the underlying hyperparameters. Traditional approaches consider fixed CBFs (where parameters are tuned apriori), and hence, typically do not perform well in cluttered and highly dynamic environments: conservative parameter values can lead to inefficient agent trajectories, or even failure to reach goal positions, whereas aggressive parameter values can lead to infeasible controls. To overcome these issues, in this paper, we propose online CBFs, whereby hyperparameters are tuned in real-time, as a function of what agents perceive in their immediate neighborhood. Since the explicit relationship between CBFs and navigation performance is hard to model, we leverage reinforcement learning to learn CBF-tuning policies in a model-free manner. Because we parameterize the policies with graph neural networks (GNNs), we are able to synthesize decentralized agent controllers that adjust parameter values locally, varying the degree of conservative and aggressive behaviors across agents. Simulations as well as real-world experiments show that (i) online CBFs are capable of solving navigation scenarios that are infeasible for fixed CBFs, and (ii), that they improve navigation performance by adapting to other agents and changes in the environment.

In the presence of noisy labels, designing robust loss functions is critical for securing the generalization performance of deep neural networks. Cross Entropy (CE) loss has been shown to be not robust to noisy labels due to its unboundedness. To alleviate this issue, existing works typically design specialized robust losses with the symmetric condition, which usually lead to the underfitting issue. In this paper, our key idea is to induce a loss bound at the logit level, thus universally enhancing the noise robustness of existing losses. Specifically, we propose logit clipping (LogitClip), which clamps the norm of the logit vector to ensure that it is upper bounded by a constant. In this manner, CE loss equipped with our LogitClip method is effectively bounded, mitigating the overfitting to examples with noisy labels. Moreover, we present theoretical analyses to certify the noise-tolerant ability of LogitClip. Extensive experiments show that LogitClip not only significantly improves the noise robustness of CE loss, but also broadly enhances the generalization performance of popular robust losses.

The utility of reinforcement learning is limited by the alignment of reward functions with the interests of human stakeholders. One promising method for alignment is to learn the reward function from human-generated preferences between pairs of trajectory segments, a type of reinforcement learning from human feedback (RLHF). These human preferences are typically assumed to be informed solely by partial return, the sum of rewards along each segment. We find this assumption to be flawed and propose modeling human preferences instead as informed by each segment's regret, a measure of a segment's deviation from optimal decision-making. Given infinitely many preferences generated according to regret, we prove that we can identify a reward function equivalent to the reward function that generated those preferences, and we prove that the previous partial return model lacks this identifiability property in multiple contexts. We empirically show that our proposed regret preference model outperforms the partial return preference model with finite training data in otherwise the same setting. Additionally, we find that our proposed regret preference model better predicts real human preferences and also learns reward functions from these preferences that lead to policies that are better human-aligned. Overall, this work establishes that the choice of preference model is impactful, and our proposed regret preference model provides an improvement upon a core assumption of recent research. We have open sourced our experimental code, the human preferences dataset we gathered, and our training and preference elicitation interfaces for gathering a such a dataset.

Non-coding RNA structure and function are essential to understanding various biological processes, such as cell signaling, gene expression, and post-transcriptional regulations. These are all among the core problems in the RNA field. With the rapid growth of sequencing technology, we have accumulated a massive amount of unannotated RNA sequences. On the other hand, expensive experimental observatory results in only limited numbers of annotated data and 3D structures. Hence, it is still challenging to design computational methods for predicting their structures and functions. The lack of annotated data and systematic study causes inferior performance. To resolve the issue, we propose a novel RNA foundation model (RNA-FM) to take advantage of all the 23 million non-coding RNA sequences through self-supervised learning. Within this approach, we discover that the pre-trained RNA-FM could infer sequential and evolutionary information of non-coding RNAs without using any labels. Furthermore, we demonstrate RNA-FM's effectiveness by applying it to the downstream secondary/3D structure prediction, SARS-CoV-2 genome structure and evolution prediction, protein-RNA binding preference modeling, and gene expression regulation modeling. The comprehensive experiments show that the proposed method improves the RNA structural and functional modelling results significantly and consistently. Despite only being trained with unlabelled data, RNA-FM can serve as the foundational model for the field.

We seek to improve deep neural networks by generalizing the pooling operations that play a central role in current architectures. We pursue a careful exploration of approaches to allow pooling to learn and to adapt to complex and variable patterns. The two primary directions lie in (1) learning a pooling function via (two strategies of) combining of max and average pooling, and (2) learning a pooling function in the form of a tree-structured fusion of pooling filters that are themselves learned. In our experiments every generalized pooling operation we explore improves performance when used in place of average or max pooling. We experimentally demonstrate that the proposed pooling operations provide a boost in invariance properties relative to conventional pooling and set the state of the art on several widely adopted benchmark datasets; they are also easy to implement, and can be applied within various deep neural network architectures. These benefits come with only a light increase in computational overhead during training and a very modest increase in the number of model parameters.

Generative protein language models are a natural way to design new proteins with desired functions. However, current models are either difficult to direct to produce a protein from a specific family of interest, or must be trained on a large multiple sequence alignment (MSA) from the specific family of interest, making them unable to benefit from transfer learning across families. To address this, we propose Protein Evolutionary Transformer (PoET), an autoregressive generative model of whole protein families that learns to generate sets of related proteins as sequences-of-sequences across tens of millions of natural protein sequence clusters. PoET can be used as a retrieval-augmented language model to generate and score arbitrary modifications conditioned on any protein family of interest, and can extrapolate from short context lengths to generalize well even for small families. This is enabled by a unique Transformer layer; we model tokens sequentially within sequences while attending between sequences order invariantly, allowing PoET to scale to context lengths beyond those used during training. In extensive experiments on deep mutational scanning datasets, we show that PoET outperforms existing protein language models and evolutionary sequence models for variant function prediction across proteins of all MSA depths. We also demonstrate PoET's ability to controllably generate new protein sequences.

State of the art reinforcement learning has enabled training agents on tasks of ever increasing complexity. However, the current paradigm tends to favor training agents from scratch on every new task or on collections of tasks with a view towards generalizing to novel task configurations. The former suffers from poor data efficiency while the latter is difficult when test tasks are out-of-distribution. Agents that can effectively transfer their knowledge about the world pose a potential solution to these issues. In this paper, we investigate transfer learning in the context of model-based agents. Specifically, we aim to understand when exactly environment models have an advantage and why. We find that a model-based approach outperforms controlled model-free baselines for transfer learning. Through ablations, we show that both the policy and dynamics model learnt through exploration matter for successful transfer. We demonstrate our results across three domains which vary in their requirements for transfer: in-distribution procedural (Crafter), in-distribution identical (RoboDesk), and out-of-distribution (Meta-World). Our results show that intrinsic exploration combined with environment models present a viable direction towards agents that are self-supervised and able to generalize to novel reward functions.

The recent trend of large language models (LLMs) is to increase the scale of both model size (\aka the number of parameters) and dataset to achieve better generative ability, which is definitely proved by a lot of work such as the famous GPT and Llama. However, large models often involve massive computational costs, and practical applications cannot afford such high prices. However, the method of constructing a strong model architecture for LLMs is rarely discussed. We first analyze the state-of-the-art language model architectures and observe the feature collapse problem. Based on the theoretical analysis, we propose that the nonlinearity is also very important for language models, which is usually studied in convolutional neural networks for vision tasks. The series informed activation function is then introduced with tiny calculations that can be ignored, and an augmented shortcut is further used to enhance the model nonlinearity. We then demonstrate that the proposed approach is significantly effective for enhancing the model nonlinearity through carefully designed ablations; thus, we present a new efficient model architecture for establishing modern, namely, PanGu-pi. Experiments are then conducted using the same dataset and training strategy to compare PanGu-pi with state-of-the-art LLMs. The results show that PanGu-pi-7B can achieve a comparable performance to that of benchmarks with about 10\% inference speed-up, and PanGu-pi-1B can achieve state-of-the-art performance in terms of accuracy and efficiency. In addition, we have deployed PanGu-pi-7B in the high-value domains of finance and law, developing an LLM named YunShan for practical application. The results show that YunShan can surpass other models with similar scales on benchmarks.

Proteins are dynamic molecular machines whose biological functions, spanning enzymatic catalysis, signal transduction, and structural adaptation, are intrinsically linked to their motions. Designing proteins with targeted dynamic properties, however, remains a challenge due to the complex, degenerate relationships between sequence, structure, and molecular motion. Here, we introduce VibeGen, a generative AI framework that enables end-to-end de novo protein design conditioned on normal mode vibrations. VibeGen employs an agentic dual-model architecture, comprising a protein designer that generates sequence candidates based on specified vibrational modes and a protein predictor that evaluates their dynamic accuracy. This approach synergizes diversity, accuracy, and novelty during the design process. Via full-atom molecular simulations as direct validation, we demonstrate that the designed proteins accurately reproduce the prescribed normal mode amplitudes across the backbone while adopting various stable, functionally relevant structures. Notably, generated sequences are de novo, exhibiting no significant similarity to natural proteins, thereby expanding the accessible protein space beyond evolutionary constraints. Our work integrates protein dynamics into generative protein design, and establishes a direct, bidirectional link between sequence and vibrational behavior, unlocking new pathways for engineering biomolecules with tailored dynamical and functional properties. This framework holds broad implications for the rational design of flexible enzymes, dynamic scaffolds, and biomaterials, paving the way toward dynamics-informed AI-driven protein engineering.

Heterogeneous graph learning aims to capture complex relationships and diverse relational semantics among entities in a heterogeneous graph to obtain meaningful representations for nodes and edges. Recent advancements in heterogeneous graph neural networks (HGNNs) have achieved state-of-the-art performance by considering relation heterogeneity and using specialized message functions and aggregation rules. However, existing frameworks for heterogeneous graph learning have limitations in generalizing across diverse heterogeneous graph datasets. Most of these frameworks follow the "pre-train" and "fine-tune" paradigm on the same dataset, which restricts their capacity to adapt to new and unseen data. This raises the question: "Can we generalize heterogeneous graph models to be well-adapted to diverse downstream learning tasks with distribution shifts in both node token sets and relation type heterogeneity?'' To tackle those challenges, we propose HiGPT, a general large graph model with Heterogeneous graph instruction-tuning paradigm. Our framework enables learning from arbitrary heterogeneous graphs without the need for any fine-tuning process from downstream datasets. To handle distribution shifts in heterogeneity, we introduce an in-context heterogeneous graph tokenizer that captures semantic relationships in different heterogeneous graphs, facilitating model adaptation. We incorporate a large corpus of heterogeneity-aware graph instructions into our HiGPT, enabling the model to effectively comprehend complex relation heterogeneity and distinguish between various types of graph tokens. Furthermore, we introduce the Mixture-of-Thought (MoT) instruction augmentation paradigm to mitigate data scarcity by generating diverse and informative instructions. Through comprehensive evaluations, our proposed framework demonstrates exceptional performance in terms of generalization performance.

Using proprietary Large Language Models on legal tasks poses challenges due to data privacy issues, domain data heterogeneity, domain knowledge sophistication, and domain objectives uniqueness. We created Aalalp, a fine-tuned Mistral 7B model on instructions data related to specific Indian legal tasks. The performance of Aalap is better than gpt-3.5-turbo in 31\% of our test data and obtains an equivalent score in 34\% of the test data as evaluated by GPT4. Training Aalap mainly focuses on teaching legal reasoning rather than legal recall. Aalap is definitely helpful for the day-to-day activities of lawyers, judges, or anyone working in legal systems.

Improving the quality of hyperspectral images (HSIs), such as through super-resolution, is a crucial research area. However, generative modeling for HSIs presents several challenges. Due to their high spectral dimensionality, HSIs are too memory-intensive for direct input into conventional diffusion models. Furthermore, general generative models lack an understanding of the topological and geometric structures of ground objects in remote sensing imagery. In addition, most diffusion models optimize loss functions at the noise level, leading to a non-intuitive convergence behavior and suboptimal generation quality for complex data. To address these challenges, we propose a Geometric Enhanced Wavelet-based Diffusion Model (GEWDiff), a novel framework for reconstructing hyperspectral images at 4-times super-resolution. A wavelet-based encoder-decoder is introduced that efficiently compresses HSIs into a latent space while preserving spectral-spatial information. To avoid distortion during generation, we incorporate a geometry-enhanced diffusion process that preserves the geometric features. Furthermore, a multi-level loss function was designed to guide the diffusion process, promoting stable convergence and improved reconstruction fidelity. Our model demonstrated state-of-the-art results across multiple dimensions, including fidelity, spectral accuracy, visual realism, and clarity.

Several studies have employed reinforcement learning (RL) to address the challenges of regional adaptive traffic signal control (ATSC) and achieved promising results. In this field, existing research predominantly adopts multi-agent frameworks. However, the adoption of multi-agent frameworks presents challenges for scalability. Instead, the Traffic signal control (TSC) problem necessitates a single-agent framework. TSC inherently relies on centralized management by a single control center, which can monitor traffic conditions across all roads in the study area and coordinate the control of all intersections. This work proposes a single-agent RL-based regional ATSC model compatible with probe vehicle technology. Key components of the RL design include state, action, and reward function definitions. To facilitate learning and manage congestion, both state and reward functions are defined based on queue length, with action designed to regulate queue dynamics. The queue length definition used in this study differs slightly from conventional definitions but is closely correlated with congestion states. More importantly, it allows for reliable estimation using link travel time data from probe vehicles. With probe vehicle data already covering most urban roads, this feature enhances the proposed method's potential for widespread deployment. The method was comprehensively evaluated using the SUMO simulation platform. Experimental results demonstrate that the proposed model effectively mitigates large-scale regional congestion levels via coordinated multi-intersection control.

Large language models (LLMs) trained on text demonstrated remarkable results on natural language processing (NLP) tasks. These models have been adapted to decipher the language of DNA, where sequences of nucleotides act as "words" that encode genomic functions. However, the genome differs fundamentally from natural language, as it lacks clearly defined words or a consistent grammar. Although DNA language models (DNALMs) such as DNABERT, GENA-LM have achieved high level of performance on genome-related biological tasks, these models do not encode biological functions in the presence of sequence variations. To address this problem, we pre-train foundation models that effectively integrate sequence variations, in particular Single Nucleotide Polymorphisms (SNPs), as they underlie important biological functions. Specifically, we use ModernBERT to pre-train two different Biomedical Foundation Models (BMFM), namely, BMFM-DNA-REF in which the model is trained with sequences of varying lengths along with their reverse complements derived from the reference genome and BMFM-DNA-SNP in which the model is trained with sequences created using a novel representation scheme that encodes sequence variations. Our findings indicate that integrating sequence variations into DNALMs helps capture the biological functions as seen in improvements on all fine-tuning tasks. To explore the model's practical utility, we experimented with various strategies for SNP imputation on promoter detection task introduced in DNABERT-2. However, we acknowledge that the current benchmarks are limited in their ability to fully evaluate these models. To enable more comprehensive assessment in the future and encourage community contributions, we release our models through HuggingFace and the code to reproduce the results at https://github.com/BiomedSciAI/biomed-multi-omic

Neural networks excel as function approximators, but their complexity often obscures the types of functions they learn, making it difficult to explain their behavior. To address this, the linearity score lambda(f) is introduced, a simple and interpretable diagnostic that quantifies how well a regression network's output can be mimicked by a linear model. Defined as the R^2 value between the network's predictions and those of a trained linear surrogate, lambda(f) measures linear decodability: the extent to which the network's behavior aligns with a structurally simple model. This framework is evaluated on both synthetic and real-world datasets, using dataset-specific networks and surrogates. High lambda(f) scores reliably indicate alignment with the network's outputs; however, they do not guarantee accuracy with respect to the ground truth. These results highlight the risk of using surrogate fidelity as a proxy for model understanding, especially in high-stakes regression tasks.

Chain-of-Thought (CoT) is a robust approach for tackling LLM tasks that require intermediate reasoning steps prior to generating a final answer. In this paper, we present GreenMind-Medium-14B-R1, the Vietnamese reasoning model inspired by the finetuning strategy based on Group Relative Policy Optimization. We also leverage a high-quality Vietnamese synthesized reasoning dataset and design two reward functions to tackle the main limitations of this technique: (i) language mixing, where we explicitly detect the presence of biased language characters during the process of sampling tokens, and (ii) we leverage Sentence Transformer-based models to ensure that the generated reasoning content maintains factual correctness and does not distort the final output. Experimental results on the Vietnamese dataset from the VLSP 2023 Challenge demonstrate that our model outperforms prior works and enhances linguistic consistency in its responses. Furthermore, we extend our evaluation to SeaExam-a multilingual multiple-choice dataset, showing the effectiveness of our reasoning method compared to few-shot prompting techniques.

In this study, we investigate the protection offered by federated learning algorithms against eavesdropping adversaries. In our model, the adversary is capable of intercepting model updates transmitted from clients to the server, enabling it to create its own estimate of the model. Unlike previous research, which predominantly focuses on safeguarding client data, our work shifts attention protecting the client model itself. Through a theoretical analysis, we examine how various factors, such as the probability of client selection, the structure of local objective functions, global aggregation at the server, and the eavesdropper's capabilities, impact the overall level of protection. We further validate our findings through numerical experiments, assessing the protection by evaluating the model accuracy achieved by the adversary. Finally, we compare our results with methods based on differential privacy, underscoring their limitations in this specific context.

Machine learning models often have uneven performance among subpopulations (a.k.a., groups) in the data distributions. This poses a significant challenge for the models to generalize when the proportions of the groups shift during deployment. To improve robustness to such shifts, existing approaches have developed strategies that train models or perform hyperparameter tuning using the group-labeled data to minimize the worst-case loss over groups. However, a non-trivial amount of high-quality labels is often required to obtain noticeable improvements. Given the costliness of the labels, we propose to adopt a different paradigm to enhance group label efficiency: utilizing the group-labeled data as a target set to optimize the weights of other group-unlabeled data. We introduce Group-robust Sample Reweighting (GSR), a two-stage approach that first learns the representations from group-unlabeled data, and then tinkers the model by iteratively retraining its last layer on the reweighted data using influence functions. Our GSR is theoretically sound, practically lightweight, and effective in improving the robustness to subpopulation shifts. In particular, GSR outperforms the previous state-of-the-art approaches that require the same amount or even more group labels.

Recent advancements in prompting techniques for Large Language Models (LLMs) have improved their reasoning, planning, and action abilities. This paper examines these prompting techniques through the lens of model predictive control (MPC). We show that LLMs act as implicit planning cost function minimizers when planning prompts are used. Under our framework we demonstrate that LLM planning performance can be improved further by incorporating real planning cost functions and evaluators.

Gastrointestinal (GI) diseases represent a significant global health concern, with Capsule Endoscopy (CE) offering a non-invasive method for diagnosis by capturing a large number of GI tract images. However, the sheer volume of video frames necessitates automated analysis to reduce the workload on doctors and increase the diagnostic accuracy. In this paper, we present CapsuleNet, a deep learning model developed for the Capsule Vision 2024 Challenge, aimed at classifying 10 distinct GI abnormalities. Using a highly imbalanced dataset, we implemented various data augmentation strategies, reducing the data imbalance to a manageable level. Our model leverages a pretrained EfficientNet-b7 backbone, tuned with additional layers for classification and optimized with PReLU activation functions. The model demonstrated superior performance on validation data, achieving a micro accuracy of 84.5% and outperforming the VGG16 baseline across most classes. Despite these advances, challenges remain in classifying certain abnormalities, such as Erythema. Our findings suggest that CNN-based models like CapsuleNet can provide an efficient solution for GI tract disease classification, particularly when inference time is a critical factor.

Large language models (LLMs) have recently shown tremendous promise in serving as the backbone to agentic systems, as demonstrated by their performance in multi-faceted, challenging benchmarks like SWE-Bench and Agent-Bench. However, to realize the true potential of LLMs as autonomous agents, they must learn to identify, call, and interact with external tools and application program interfaces (APIs) to complete complex tasks. These tasks together are termed function calling. Endowing LLMs with function calling abilities leads to a myriad of advantages, such as access to current and domain-specific information in databases and knowledge sources, and the ability to outsource tasks that can be reliably performed by tools, e.g., a Python interpreter or calculator. While there has been significant progress in function calling with LLMs, there is still a dearth of open models that perform on par with proprietary LLMs like GPT, Claude, and Gemini. Therefore, in this work, we introduce the GRANITE-20B-FUNCTIONCALLING model under an Apache 2.0 license. The model is trained using a multi-task training approach on seven fundamental tasks encompassed in function calling, those being Nested Function Calling, Function Chaining, Parallel Functions, Function Name Detection, Parameter-Value Pair Detection, Next-Best Function, and Response Generation. We present a comprehensive evaluation on multiple out-of-domain datasets comparing GRANITE-20B-FUNCTIONCALLING to more than 15 other best proprietary and open models. GRANITE-20B-FUNCTIONCALLING provides the best performance among all open models on the Berkeley Function Calling Leaderboard and fourth overall. As a result of the diverse tasks and datasets used for training our model, we show that GRANITE-20B-FUNCTIONCALLING has better generalizability on multiple tasks in seven different evaluation datasets.

We introduce a new generative approach for synthesizing 3D geometry and images from single-view collections. Most existing approaches predict volumetric density to render multi-view consistent images. By employing volumetric rendering using neural radiance fields, they inherit a key limitation: the generated geometry is noisy and unconstrained, limiting the quality and utility of the output meshes. To address this issue, we propose GeoGen, a new SDF-based 3D generative model trained in an end-to-end manner. Initially, we reinterpret the volumetric density as a Signed Distance Function (SDF). This allows us to introduce useful priors to generate valid meshes. However, those priors prevent the generative model from learning details, limiting the applicability of the method to real-world scenarios. To alleviate that problem, we make the transformation learnable and constrain the rendered depth map to be consistent with the zero-level set of the SDF. Through the lens of adversarial training, we encourage the network to produce higher fidelity details on the output meshes. For evaluation, we introduce a synthetic dataset of human avatars captured from 360-degree camera angles, to overcome the challenges presented by real-world datasets, which often lack 3D consistency and do not cover all camera angles. Our experiments on multiple datasets show that GeoGen produces visually and quantitatively better geometry than the previous generative models based on neural radiance fields.

Natural language is often the easiest and most convenient modality for humans to specify tasks for robots. However, learning to ground language to behavior typically requires impractical amounts of diverse, language-annotated demonstrations collected on each target robot. In this work, we aim to separate the problem of what to accomplish from how to accomplish it, as the former can benefit from substantial amounts of external observation-only data, and only the latter depends on a specific robot embodiment. To this end, we propose Video-Language Critic, a reward model that can be trained on readily available cross-embodiment data using contrastive learning and a temporal ranking objective, and use it to score behavior traces from a separate actor. When trained on Open X-Embodiment data, our reward model enables 2x more sample-efficient policy training on Meta-World tasks than a sparse reward only, despite a significant domain gap. Using in-domain data but in a challenging task generalization setting on Meta-World, we further demonstrate more sample-efficient training than is possible with prior language-conditioned reward models that are either trained with binary classification, use static images, or do not leverage the temporal information present in video data.

Well-designed prompts have demonstrated the potential to guide text-to-image models in generating amazing images. Although existing prompt engineering methods can provide high-level guidance, it is challenging for novice users to achieve the desired results by manually entering prompts due to a discrepancy between novice-user-input prompts and the model-preferred prompts. To bridge the distribution gap between user input behavior and model training datasets, we first construct a novel Coarse-Fine Granularity Prompts dataset (CFP) and propose a novel User-Friendly Fine-Grained Text Generation framework (UF-FGTG) for automated prompt optimization. For CFP, we construct a novel dataset for text-to-image tasks that combines coarse and fine-grained prompts to facilitate the development of automated prompt generation methods. For UF-FGTG, we propose a novel framework that automatically translates user-input prompts into model-preferred prompts. Specifically, we propose a prompt refiner that continually rewrites prompts to empower users to select results that align with their unique needs. Meanwhile, we integrate image-related loss functions from the text-to-image model into the training process of text generation to generate model-preferred prompts. Additionally, we propose an adaptive feature extraction module to ensure diversity in the generated results. Experiments demonstrate that our approach is capable of generating more visually appealing and diverse images than previous state-of-the-art methods, achieving an average improvement of 5% across six quality and aesthetic metrics.

Due to the rise of privacy concerns, in many practical applications the training data is aggregated before being shared with the learner, in order to protect privacy of users' sensitive responses. In an aggregate learning framework, the dataset is grouped into bags of samples, where each bag is available only with an aggregate response, providing a summary of individuals' responses in that bag. In this paper, we study two natural loss functions for learning from aggregate responses: bag-level loss and the instance-level loss. In the former, the model is learnt by minimizing a loss between aggregate responses and aggregate model predictions, while in the latter the model aims to fit individual predictions to the aggregate responses. In this work, we show that the instance-level loss can be perceived as a regularized form of the bag-level loss. This observation lets us compare the two approaches with respect to bias and variance of the resulting estimators, and introduce a novel interpolating estimator which combines the two approaches. For linear regression tasks, we provide a precise characterization of the risk of the interpolating estimator in an asymptotic regime where the size of the training set grows in proportion to the features dimension. Our analysis allows us to theoretically understand the effect of different factors, such as bag size on the model prediction risk. In addition, we propose a mechanism for differentially private learning from aggregate responses and derive the optimal bag size in terms of prediction risk-privacy trade-off. We also carry out thorough experiments to corroborate our theory and show the efficacy of the interpolating estimator.

We study the representation complexity of model-based and model-free reinforcement learning (RL) in the context of circuit complexity. We prove theoretically that there exists a broad class of MDPs such that their underlying transition and reward functions can be represented by constant depth circuits with polynomial size, while the optimal Q-function suffers an exponential circuit complexity in constant-depth circuits. By drawing attention to the approximation errors and building connections to complexity theory, our theory provides unique insights into why model-based algorithms usually enjoy better sample complexity than model-free algorithms from a novel representation complexity perspective: in some cases, the ground-truth rule (model) of the environment is simple to represent, while other quantities, such as Q-function, appear complex. We empirically corroborate our theory by comparing the approximation error of the transition kernel, reward function, and optimal Q-function in various Mujoco environments, which demonstrates that the approximation errors of the transition kernel and reward function are consistently lower than those of the optimal Q-function. To the best of our knowledge, this work is the first to study the circuit complexity of RL, which also provides a rigorous framework for future research.

Deep Gradient Leakage (DGL) is a highly effective attack that recovers private training images from gradient vectors. This attack casts significant privacy challenges on distributed learning from clients with sensitive data, where clients are required to share gradients. Defending against such attacks requires but lacks an understanding of when and how privacy leakage happens, mostly because of the black-box nature of deep networks. In this paper, we propose a novel Inversion Influence Function (I^2F) that establishes a closed-form connection between the recovered images and the private gradients by implicitly solving the DGL problem. Compared to directly solving DGL, I^2F is scalable for analyzing deep networks, requiring only oracle access to gradients and Jacobian-vector products. We empirically demonstrate that I^2F effectively approximated the DGL generally on different model architectures, datasets, attack implementations, and noise-based defenses. With this novel tool, we provide insights into effective gradient perturbation directions, the unfairness of privacy protection, and privacy-preferred model initialization. Our codes are provided in https://github.com/illidanlab/inversion-influence-function.

This paper studies distributional model risk in marginal problems, where each marginal measure is assumed to lie in a Wasserstein ball centered at a fixed reference measure with a given radius. Theoretically, we establish several fundamental results including strong duality, finiteness of the proposed Wasserstein distributional model risk, and the existence of an optimizer at each radius. In addition, we show continuity of the Wasserstein distributional model risk as a function of the radius. Using strong duality, we extend the well-known Makarov bounds for the distribution function of the sum of two random variables with given marginals to Wasserstein distributionally robust Markarov bounds. Practically, we illustrate our results on four distinct applications when the sample information comes from multiple data sources and only some marginal reference measures are identified. They are: partial identification of treatment effects; externally valid treatment choice via robust welfare functions; Wasserstein distributionally robust estimation under data combination; and evaluation of the worst aggregate risk measures.

We consider the problem of subset selection where one is given multiple rankings of items and the goal is to select the highest ``quality'' subset. Score functions from the multiwinner voting literature have been used to aggregate rankings into quality scores for subsets. We study this setting of subset selection problems when, in addition, rankings may contain systemic or unconscious biases toward a group of items. For a general model of input rankings and biases, we show that requiring the selected subset to satisfy group fairness constraints can improve the quality of the selection with respect to unbiased rankings. Importantly, we show that for fairness constraints to be effective, different multiwinner score functions may require a drastically different number of rankings: While for some functions, fairness constraints need an exponential number of rankings to recover a close-to-optimal solution, for others, this dependency is only polynomial. This result relies on a novel notion of ``smoothness'' of submodular functions in this setting that quantifies how well a function can ``correctly'' assess the quality of items in the presence of bias. The results in this paper can be used to guide the choice of multiwinner score functions for the subset selection setting considered here; we additionally provide a tool to empirically enable this.

Probabilistic diffusion models have achieved state-of-the-art results for image synthesis, inpainting, and text-to-image tasks. However, they are still in the early stages of generating complex 3D shapes. This work proposes Diffusion-SDF, a generative model for shape completion, single-view reconstruction, and reconstruction of real-scanned point clouds. We use neural signed distance functions (SDFs) as our 3D representation to parameterize the geometry of various signals (e.g., point clouds, 2D images) through neural networks. Neural SDFs are implicit functions and diffusing them amounts to learning the reversal of their neural network weights, which we solve using a custom modulation module. Extensive experiments show that our method is capable of both realistic unconditional generation and conditional generation from partial inputs. This work expands the domain of diffusion models from learning 2D, explicit representations, to 3D, implicit representations.

We show that both an LSTM and a unitary-evolution recurrent neural network (URN) can achieve encouraging accuracy on two types of syntactic patterns: context-free long distance agreement, and mildly context-sensitive cross serial dependencies. This work extends recent experiments on deeply nested context-free long distance dependencies, with similar results. URNs differ from LSTMs in that they avoid non-linear activation functions, and they apply matrix multiplication to word embeddings encoded as unitary matrices. This permits them to retain all information in the processing of an input string over arbitrary distances. It also causes them to satisfy strict compositionality. URNs constitute a significant advance in the search for explainable models in deep learning applied to NLP.

Price responsiveness is a major feature of end use customers (EUCs) that participate in demand response (DR) programs, and has been conventionally modeled with static demand functions, which take the electricity price as the input and the aggregate energy consumption as the output. This, however, neglects the inherent temporal correlation of the EUC behaviors, and may result in large errors when predicting the actual responses of EUCs in real-time pricing (RTP) programs. In this paper, we propose a dynamical DR model so as to capture the temporal behavior of the EUCs. The states in the proposed dynamical DR model can be explicitly chosen, in which case the model can be represented by a linear function or a multi-layer feedforward neural network, or implicitly chosen, in which case the model can be represented by a recurrent neural network or a long short-term memory unit network. In both cases, the dynamical DR model can be learned from historical price and energy consumption data. Numerical simulation illustrated how the states are chosen and also showed the proposed dynamical DR model significantly outperforms the static ones.