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2026.08.18
Chain-of-Experience for Continual LLM Improvement
Humans continuously learn from experience, whereas conventional large language model (LLM) evaluations ignore the models' ability to improve through inference-time interaction. In this paper, we study how LLMs learn from iterative experience at test time, a setting we refer to as Chain-of-Experience (CoE), where models accumulate experiential traces through iterative interactions with self or environmental feedback to form a continual improvement loop beyond zero-shot inference. We instantiate CoE with diverse feedback mechanisms, including model self-feedback and environmental signals such as correctness or public coding test pass rates, and evaluate across math, coding, and knowledge domains using 8 LLMs, including GPT-5, Gemini-2.5 Pro, Claude-4.5 Sonnet. Our study shows that leveraging iterative experience consistently outperforms feedback-free baselines, achieving substantial gains with self feedback alone, alongside a 5.6% overall improvement and 19% lower API cost across tasks and models. We further show that combining complementary feedback channels (e.g., model and correctness signals) yields additional gains, and that CoE delivers higher accuracy per token than existing test-time strategies. We observe a positive correlation between LLM base ability and improvement capacity, and show that models remain robust under weak or spurious feedback, with different feedback contributing to distinct improvement aspects and most gains emerging early in the iterations.
Humans continuously learn from experience, whereas conventional large language model (LLM) evaluations ignore the models' ability to improve through inference-time interaction. In this paper, we study how LLMs learn from iterative experience at test time, a setting we refer to as Chain-of-Experience (CoE), where models accumulate experiential traces through iterative interactions with self or environmental feedback to form a continual improvement loop beyond zero-shot inference. We instantiate CoE with diverse feedback mechanisms, including model self-feedback and environmental signals such as correctness or public coding test pass rates, and evaluate across math, coding, and knowledge domains using 8 LLMs, including GPT-5, Gemini-2.5 Pro, Claude-4.5 Sonnet. Our study shows that leveraging iterative experience consistently outperforms feedback-free baselines, achieving substantial gains with self feedback alone, alongside a 5.6% overall improvement and 19% lower API cost across tasks and models. We further show that combining complementary feedback channels (e.g., model and correctness signals) yields additional gains, and that CoE delivers higher accuracy per token than existing test-time strategies. We observe a positive correlation between LLM base ability and improvement capacity, and show that models remain robust under weak or spurious feedback, with different feedback contributing to distinct improvement aspects and most gains emerging early in the iterations.
Humans continuously learn from experience, whereas conventional large language model (LLM) evaluations ignore the models' ability to improve through inference-time interaction. In this paper, we study how LLMs learn from iterative experience at test time, a setting we refer to as Chain-of-Experience (CoE), where models accumulate experiential traces through iterative interactions with self or environmental feedback to form a continual improvement loop beyond zero-shot inference. We instantiate CoE with diverse feedback mechanisms, including model self-feedback and environmental signals such as correctness or public coding test pass rates, and evaluate across math, coding, and knowledge domains using 8 LLMs, including GPT-5, Gemini-2.5 Pro, Claude-4.5 Sonnet. Our study shows that leveraging iterative experience consistently outperforms feedback-free baselines, achieving substantial gains with self feedback alone, alongside a 5.6% overall improvement and 19% lower API cost across tasks and models. We further show that combining complementary feedback channels (e.g., model and correctness signals) yields additional gains, and that CoE delivers higher accuracy per token than existing test-time strategies. We observe a positive correlation between LLM base ability and improvement capacity, and show that models remain robust under weak or spurious feedback, with different feedback contributing to distinct improvement aspects and most gains emerging early in the iterations.
Computation and Language
2026.08.12
Harness-IF: Evaluating Instruction Following Across Instruction Surfaces in Coding Agents
When a coding agent obeys a rule, it may simply have been going to do that anyway. Existing instruction-following benchmarks cannot tell the difference: they concentrate rules in the user turn, while coding-agent benchmarks emphasize final task success. We introduce Harness-IF, which scores operational rules one at a time from execution evidence: 60 realistic multi-turn coding items drawn from a 642-rule library, 256 rules receiving verdicts, placed on the five configurable surfaces a deployed agent reads. To separate compliance from coincidence we introduce Against-Prior Accuracy (AP-Acc), which scores only rules labeled as opposing unprompted defaults, observed by re-running tasks with the rule withheld across nine probe builds and curated otherwise. Across 12 frontier models, accuracy spans 72.1-85.9% and AP-Acc 66.1-78.6%; every model is worse on against-prior rules, by 3.6 to 7.4 points (mean 5.81), and the direction survives a common-support analysis with item-clustered intervals. Aggregate scores therefore overstate compliance by a model-specific margin: prior control leaves the top build unchanged and exchanges three adjacent rank pairs. A counterbalanced conflict pilot on nine separate builds adds a second result: pooled precedence does not follow prompt depth, with system prompts, project files, and user instructions ahead of tool and skill descriptions.
When a coding agent obeys a rule, it may simply have been going to do that anyway. Existing instruction-following benchmarks cannot tell the difference: they concentrate rules in the user turn, while coding-agent benchmarks emphasize final task success. We introduce Harness-IF, which scores operational rules one at a time from execution evidence: 60 realistic multi-turn coding items drawn from a 642-rule library, 256 rules receiving verdicts, placed on the five configurable surfaces a deployed agent reads. To separate compliance from coincidence we introduce Against-Prior Accuracy (AP-Acc), which scores only rules labeled as opposing unprompted defaults, observed by re-running tasks with the rule withheld across nine probe builds and curated otherwise. Across 12 frontier models, accuracy spans 72.1-85.9% and AP-Acc 66.1-78.6%; every model is worse on against-prior rules, by 3.6 to 7.4 points (mean 5.81), and the direction survives a common-support analysis with item-clustered intervals. Aggregate scores therefore overstate compliance by a model-specific margin: prior control leaves the top build unchanged and exchanges three adjacent rank pairs. A counterbalanced conflict pilot on nine separate builds adds a second result: pooled precedence does not follow prompt depth, with system prompts, project files, and user instructions ahead of tool and skill descriptions.
When a coding agent obeys a rule, it may simply have been going to do that anyway. Existing instruction-following benchmarks cannot tell the difference: they concentrate rules in the user turn, while coding-agent benchmarks emphasize final task success. We introduce Harness-IF, which scores operational rules one at a time from execution evidence: 60 realistic multi-turn coding items drawn from a 642-rule library, 256 rules receiving verdicts, placed on the five configurable surfaces a deployed agent reads. To separate compliance from coincidence we introduce Against-Prior Accuracy (AP-Acc), which scores only rules labeled as opposing unprompted defaults, observed by re-running tasks with the rule withheld across nine probe builds and curated otherwise. Across 12 frontier models, accuracy spans 72.1-85.9% and AP-Acc 66.1-78.6%; every model is worse on against-prior rules, by 3.6 to 7.4 points (mean 5.81), and the direction survives a common-support analysis with item-clustered intervals. Aggregate scores therefore overstate compliance by a model-specific margin: prior control leaves the top build unchanged and exchanges three adjacent rank pairs. A counterbalanced conflict pilot on nine separate builds adds a second result: pooled precedence does not follow prompt depth, with system prompts, project files, and user instructions ahead of tool and skill descriptions.
Artificial Intelligence
2026.08.06
GST-Bench: Can VLMs Develop Global Spatial Awareness from Video?
Spatial intelligence is fundamental to embodied agents, yet existing benchmarks focus on local spatial perception from single or few viewpoints, overlooking global spatial awareness over continuous, long-horizon visual streams. To address this limitation, we introduce the Global-Spatial-Temporal Benchmark (GST-Bench), a VQA benchmark for global spatial intelligence in video understanding, comprising human-verified questions derived from 6,790 minutes of synthetically generated video. It requires models to perform accurate spatial inference from novel viewpoints unseen in the input video and to map egocentric observations onto global top-down images. A comprehensive evaluation of 22 state-of-the-art VLMs exposes a striking gap between models and humans: the strongest zero-shot model attains only 42.68, far below the human score of 79.08. To probe the cause of this gap, we construct GST-Bench-Local and find that models, despite strong local spatial understanding under the same task formulation, still fail to consolidate long-horizon observations into a globally consistent scene representation. We further provide GST-Train, a dataset for global spatial reasoning, as a complementary resource to facilitate future research on this challenge.
Spatial intelligence is fundamental to embodied agents, yet existing benchmarks focus on local spatial perception from single or few viewpoints, overlooking global spatial awareness over continuous, long-horizon visual streams. To address this limitation, we introduce the Global-Spatial-Temporal Benchmark (GST-Bench), a VQA benchmark for global spatial intelligence in video understanding, comprising human-verified questions derived from 6,790 minutes of synthetically generated video. It requires models to perform accurate spatial inference from novel viewpoints unseen in the input video and to map egocentric observations onto global top-down images. A comprehensive evaluation of 22 state-of-the-art VLMs exposes a striking gap between models and humans: the strongest zero-shot model attains only 42.68, far below the human score of 79.08. To probe the cause of this gap, we construct GST-Bench-Local and find that models, despite strong local spatial understanding under the same task formulation, still fail to consolidate long-horizon observations into a globally consistent scene representation. We further provide GST-Train, a dataset for global spatial reasoning, as a complementary resource to facilitate future research on this challenge.
Spatial intelligence is fundamental to embodied agents, yet existing benchmarks focus on local spatial perception from single or few viewpoints, overlooking global spatial awareness over continuous, long-horizon visual streams. To address this limitation, we introduce the Global-Spatial-Temporal Benchmark (GST-Bench), a VQA benchmark for global spatial intelligence in video understanding, comprising human-verified questions derived from 6,790 minutes of synthetically generated video. It requires models to perform accurate spatial inference from novel viewpoints unseen in the input video and to map egocentric observations onto global top-down images. A comprehensive evaluation of 22 state-of-the-art VLMs exposes a striking gap between models and humans: the strongest zero-shot model attains only 42.68, far below the human score of 79.08. To probe the cause of this gap, we construct GST-Bench-Local and find that models, despite strong local spatial understanding under the same task formulation, still fail to consolidate long-horizon observations into a globally consistent scene representation. We further provide GST-Train, a dataset for global spatial reasoning, as a complementary resource to facilitate future research on this challenge.
Computer Vision and Pattern Recognition
2026.07.23
Sample-Efficient Learning from Agent Experience
Real-world agent learning is often constrained by costly environment interactions, such as running time-consuming experiments or obtaining human feedback. In-context learning offers a highly sample-efficient way for agents to learn from their own interaction histories, but its gains disappear once that experience is removed from the context. Separately, context distillation provides a mechanism for internalizing contextual information into model weights. However, applying it to agents' interaction histories without sacrificing environment sample efficiency remains underexplored. We term this problem Experience Distillation and develop an implementation that requires no further environment interaction beyond the collected experience. Experiments on 749 curated software-engineering tasks and six text-adventure games show that it retains at least 64.8% of the gains from in-context learning across both domains, whereas direct supervised fine-tuning on the collected experience recovers only 3.8%. Compared with classical reinforcement-learning baselines, in-context learning from trial-and-error experience followed by Experience Distillation matches their performance with at least (9.6\times) fewer environment samples.
Real-world agent learning is often constrained by costly environment interactions, such as running time-consuming experiments or obtaining human feedback. In-context learning offers a highly sample-efficient way for agents to learn from their own interaction histories, but its gains disappear once that experience is removed from the context. Separately, context distillation provides a mechanism for internalizing contextual information into model weights. However, applying it to agents' interaction histories without sacrificing environment sample efficiency remains underexplored. We term this problem Experience Distillation and develop an implementation that requires no further environment interaction beyond the collected experience. Experiments on 749 curated software-engineering tasks and six text-adventure games show that it retains at least 64.8% of the gains from in-context learning across both domains, whereas direct supervised fine-tuning on the collected experience recovers only 3.8%. Compared with classical reinforcement-learning baselines, in-context learning from trial-and-error experience followed by Experience Distillation matches their performance with at least (9.6\times) fewer environment samples.
Real-world agent learning is often constrained by costly environment interactions, such as running time-consuming experiments or obtaining human feedback. In-context learning offers a highly sample-efficient way for agents to learn from their own interaction histories, but its gains disappear once that experience is removed from the context. Separately, context distillation provides a mechanism for internalizing contextual information into model weights. However, applying it to agents' interaction histories without sacrificing environment sample efficiency remains underexplored. We term this problem Experience Distillation and develop an implementation that requires no further environment interaction beyond the collected experience. Experiments on 749 curated software-engineering tasks and six text-adventure games show that it retains at least 64.8% of the gains from in-context learning across both domains, whereas direct supervised fine-tuning on the collected experience recovers only 3.8%. Compared with classical reinforcement-learning baselines, in-context learning from trial-and-error experience followed by Experience Distillation matches their performance with at least (9.6\times) fewer environment samples.
Computation and Language
2026.07.06
EdgeBench: Unveiling Scaling Laws of Learning from Real-World Environments
Pretraining scaling laws reveal that model capability improves predictably with data and compute. But learning from real world environments after deployment remains far less understood. Analyzing roughly 38,000 hours of agent interaction with the environment across 134 real world tasks, we find, to the best of our knowledge, the first evidence that overall performance during environment learning follows a log-sigmoid scaling law with remarkably high precision, reaching R^2 = 0.998. Across model generations, we also find that agent learning speed roughly doubles every three months. This discovery stems from EdgeBench, a suite of 134 real world tasks with ultra-long horizons, spanning scientific discovery, software engineering, combinatorial optimization, professional knowledge work, formal mathematics, and interactive games. Each task sustains at least 12 hours of continuous agent operation under rich, multilevel feedback, and is built through substantial expert effort. We publicly release 51 tasks and our full evaluation framework to accelerate the study of how agents learn from real world experience.
Pretraining scaling laws reveal that model capability improves predictably with data and compute. But learning from real world environments after deployment remains far less understood. Analyzing roughly 38,000 hours of agent interaction with the environment across 134 real world tasks, we find, to the best of our knowledge, the first evidence that overall performance during environment learning follows a log-sigmoid scaling law with remarkably high precision, reaching R^2 = 0.998. Across model generations, we also find that agent learning speed roughly doubles every three months. This discovery stems from EdgeBench, a suite of 134 real world tasks with ultra-long horizons, spanning scientific discovery, software engineering, combinatorial optimization, professional knowledge work, formal mathematics, and interactive games. Each task sustains at least 12 hours of continuous agent operation under rich, multilevel feedback, and is built through substantial expert effort. We publicly release 51 tasks and our full evaluation framework to accelerate the study of how agents learn from real world experience.
Pretraining scaling laws reveal that model capability improves predictably with data and compute. But learning from real world environments after deployment remains far less understood. Analyzing roughly 38,000 hours of agent interaction with the environment across 134 real world tasks, we find, to the best of our knowledge, the first evidence that overall performance during environment learning follows a log-sigmoid scaling law with remarkably high precision, reaching R^2 = 0.998. Across model generations, we also find that agent learning speed roughly doubles every three months. This discovery stems from EdgeBench, a suite of 134 real world tasks with ultra-long horizons, spanning scientific discovery, software engineering, combinatorial optimization, professional knowledge work, formal mathematics, and interactive games. Each task sustains at least 12 hours of continuous agent operation under rich, multilevel feedback, and is built through substantial expert effort. We publicly release 51 tasks and our full evaluation framework to accelerate the study of how agents learn from real world experience.
Computation and Language
2026.07.01
MSQA: A Natively Sourced Multilingual and Multicultural SimpleQA Benchmark
Multilingual fluency often invites a stronger assumption: a model that can speak a user's language must also understand the culture encoded by that language. We call this the Illusion of Cultural Alignment. To test this assumption directly, we introduce MSQA, a benchmark of 1,064 natively sourced questions across 11 language groups, five cultural dimensions, and three difficulty tiers. Unlike translated benchmarks, MSQA targets locally grounded knowledge and reduces shortcuts from English-centric cross-lingual transfer. Evaluating 18 LLMs, we find substantial cultural degradation and a pronounced Locality Effect: cultural competence tracks pre-training exposure more closely than general reasoning ability. We further show that common inference-time remedies do not dissolve the illusion. Models remain overconfident on unfamiliar cultural questions, repeated sampling yields unstable rather than reliable correctness, and retrieval augmentation helps unevenly on long-tail facts. These findings indicate that cultural alignment cannot be inferred from multilingual ability alone and requires deeper intervention than calibration, sampling, or retrieval at inference time
Multilingual fluency often invites a stronger assumption: a model that can speak a user's language must also understand the culture encoded by that language. We call this the Illusion of Cultural Alignment. To test this assumption directly, we introduce MSQA, a benchmark of 1,064 natively sourced questions across 11 language groups, five cultural dimensions, and three difficulty tiers. Unlike translated benchmarks, MSQA targets locally grounded knowledge and reduces shortcuts from English-centric cross-lingual transfer. Evaluating 18 LLMs, we find substantial cultural degradation and a pronounced Locality Effect: cultural competence tracks pre-training exposure more closely than general reasoning ability. We further show that common inference-time remedies do not dissolve the illusion. Models remain overconfident on unfamiliar cultural questions, repeated sampling yields unstable rather than reliable correctness, and retrieval augmentation helps unevenly on long-tail facts. These findings indicate that cultural alignment cannot be inferred from multilingual ability alone and requires deeper intervention than calibration, sampling, or retrieval at inference time
Multilingual fluency often invites a stronger assumption: a model that can speak a user's language must also understand the culture encoded by that language. We call this the Illusion of Cultural Alignment. To test this assumption directly, we introduce MSQA, a benchmark of 1,064 natively sourced questions across 11 language groups, five cultural dimensions, and three difficulty tiers. Unlike translated benchmarks, MSQA targets locally grounded knowledge and reduces shortcuts from English-centric cross-lingual transfer. Evaluating 18 LLMs, we find substantial cultural degradation and a pronounced Locality Effect: cultural competence tracks pre-training exposure more closely than general reasoning ability. We further show that common inference-time remedies do not dissolve the illusion. Models remain overconfident on unfamiliar cultural questions, repeated sampling yields unstable rather than reliable correctness, and retrieval augmentation helps unevenly on long-tail facts. These findings indicate that cultural alignment cannot be inferred from multilingual ability alone and requires deeper intervention than calibration, sampling, or retrieval at inference time
Computation and Language
2026.06.30
Seed2.0 Model Card: Towards Intelligence Frontier for Real-World Complexity
We present Seed2.0, a model series that takes a meaningful step toward solving complex, real-world tasks. Our approach begins with identifying users' genuine needs and constructing a reliable, forward-looking evaluation system by selecting and abstracting benchmarks grounded in these needs and in realistic, complex scenarios. Guided by this evaluation system, Seed2.0 targets two persistent challenges, long-tail knowledge and complex instruction following, substantially improving the model's reliability on intricate, long-horizon tasks. Beyond these, Seed2.0 delivers world-leading reasoning intelligence, visual understanding, and search capabilities that address the most common needs of a broad user base. Through extensive real-world use cases documented in this model card, we demonstrate that Seed2.0 begins to exhibit the ability to handle initial complex real-world tasks, delivering greater value to hundreds of millions of users.
We present Seed2.0, a model series that takes a meaningful step toward solving complex, real-world tasks. Our approach begins with identifying users' genuine needs and constructing a reliable, forward-looking evaluation system by selecting and abstracting benchmarks grounded in these needs and in realistic, complex scenarios. Guided by this evaluation system, Seed2.0 targets two persistent challenges, long-tail knowledge and complex instruction following, substantially improving the model's reliability on intricate, long-horizon tasks. Beyond these, Seed2.0 delivers world-leading reasoning intelligence, visual understanding, and search capabilities that address the most common needs of a broad user base. Through extensive real-world use cases documented in this model card, we demonstrate that Seed2.0 begins to exhibit the ability to handle initial complex real-world tasks, delivering greater value to hundreds of millions of users.
We present Seed2.0, a model series that takes a meaningful step toward solving complex, real-world tasks. Our approach begins with identifying users' genuine needs and constructing a reliable, forward-looking evaluation system by selecting and abstracting benchmarks grounded in these needs and in realistic, complex scenarios. Guided by this evaluation system, Seed2.0 targets two persistent challenges, long-tail knowledge and complex instruction following, substantially improving the model's reliability on intricate, long-horizon tasks. Beyond these, Seed2.0 delivers world-leading reasoning intelligence, visual understanding, and search capabilities that address the most common needs of a broad user base. Through extensive real-world use cases documented in this model card, we demonstrate that Seed2.0 begins to exhibit the ability to handle initial complex real-world tasks, delivering greater value to hundreds of millions of users.
Artificial Intelligence
2026.06.19
A Unified Generative Framework for Scalable Chemical Reaction Network Exploration
Chemical reaction networks (CRNs) are crucial for understanding reaction mechanisms and guiding chemical synthesis, yet the computational exploration remains limited by the combinatorial growth of chemical space, the reliability of reaction path screening, and the cost of evaluating thermodynamic and kinetic properties. Here, we present ByteCRN, an end-to-end framework for computational CRN exploration that combines chemically informed reaction enumeration with generative transition state modeling. A key component of our framework is a generative rectified flow architecture for both transition state generation and reaction validation, where it maps reactant-product pairs to candidate transition state structures and verifies connectivity by mapping back to reactants and products. This unified generative strategy replaces the most expensive steps of conventional computational workflows, namely iterative transition state search and intrinsic reaction coordinate validation, within a complete CRN construction pipeline. ByteCRN delivers a 10--100-fold acceleration over traditional workflows while maintaining high predictive fidelity for individual reactions. At the network scale, it effectively prunes ∼70-90% of the enumerated reactions, streamlining the exploration of complex reaction space. Its utility is illustrated through the discovery of novel pathways involving cyanoacetaldehyde and the successful modeling of the challenging γ-ketohydroperoxide network, demonstrating a practical, scalable approach to autonomous chemical exploration.
Chemical reaction networks (CRNs) are crucial for understanding reaction mechanisms and guiding chemical synthesis, yet the computational exploration remains limited by the combinatorial growth of chemical space, the reliability of reaction path screening, and the cost of evaluating thermodynamic and kinetic properties. Here, we present ByteCRN, an end-to-end framework for computational CRN exploration that combines chemically informed reaction enumeration with generative transition state modeling. A key component of our framework is a generative rectified flow architecture for both transition state generation and reaction validation, where it maps reactant-product pairs to candidate transition state structures and verifies connectivity by mapping back to reactants and products. This unified generative strategy replaces the most expensive steps of conventional computational workflows, namely iterative transition state search and intrinsic reaction coordinate validation, within a complete CRN construction pipeline. ByteCRN delivers a 10--100-fold acceleration over traditional workflows while maintaining high predictive fidelity for individual reactions. At the network scale, it effectively prunes ∼70-90% of the enumerated reactions, streamlining the exploration of complex reaction space. Its utility is illustrated through the discovery of novel pathways involving cyanoacetaldehyde and the successful modeling of the challenging γ-ketohydroperoxide network, demonstrating a practical, scalable approach to autonomous chemical exploration.
Chemical reaction networks (CRNs) are crucial for understanding reaction mechanisms and guiding chemical synthesis, yet the computational exploration remains limited by the combinatorial growth of chemical space, the reliability of reaction path screening, and the cost of evaluating thermodynamic and kinetic properties. Here, we present ByteCRN, an end-to-end framework for computational CRN exploration that combines chemically informed reaction enumeration with generative transition state modeling. A key component of our framework is a generative rectified flow architecture for both transition state generation and reaction validation, where it maps reactant-product pairs to candidate transition state structures and verifies connectivity by mapping back to reactants and products. This unified generative strategy replaces the most expensive steps of conventional computational workflows, namely iterative transition state search and intrinsic reaction coordinate validation, within a complete CRN construction pipeline. ByteCRN delivers a 10--100-fold acceleration over traditional workflows while maintaining high predictive fidelity for individual reactions. At the network scale, it effectively prunes ∼70-90% of the enumerated reactions, streamlining the exploration of complex reaction space. Its utility is illustrated through the discovery of novel pathways involving cyanoacetaldehyde and the successful modeling of the challenging γ-ketohydroperoxide network, demonstrating a practical, scalable approach to autonomous chemical exploration.
Chemical Physics
2026.06.11
Analytic Nonadiabatic Derivative Couplings Using Noncollinear Spin-Flip TDDFT
Nonadiabatic molecular dynamics is an important tool for investigating chemical reaction mechanisms, particularly in photochemical processes. Its central challenge is to efficiently and accurately obtain, at the electronic-structure level, the energies, nuclear forces (gradients), and nonadiabatic derivative couplings (NADCs) associated with multiple potential-energy surfaces. We have previously developed a noncollinear spin-flip time-dependent density functional theory (SF-TDDFT) based on the multicollinear approach. This method enables the computation of potential-energy surfaces and analytic nuclear gradients for multiple excited states and leads to improved energy degeneracy, spin symmetry, and formal consistency relative to collinear SF-TDDFT. In the present work, analytic NADCs are formulated within this framework. Their accuracy is assessed through comparison with finite-difference results and by evaluating the Berry phase in the vicinity of conical intersections. As an initial application, nonadiabatic molecular dynamics simulations were performed for azomethane and ethylene, showing that the analytic derivative couplings behave reasonably and stably for these systems. Since the additional computational cost of the NADCs is comparable to that of energies and gradients in SF-TDDFT, the method may be suitable for nonadiabatic dynamics simulations of moderately large molecular systems.
Nonadiabatic molecular dynamics is an important tool for investigating chemical reaction mechanisms, particularly in photochemical processes. Its central challenge is to efficiently and accurately obtain, at the electronic-structure level, the energies, nuclear forces (gradients), and nonadiabatic derivative couplings (NADCs) associated with multiple potential-energy surfaces. We have previously developed a noncollinear spin-flip time-dependent density functional theory (SF-TDDFT) based on the multicollinear approach. This method enables the computation of potential-energy surfaces and analytic nuclear gradients for multiple excited states and leads to improved energy degeneracy, spin symmetry, and formal consistency relative to collinear SF-TDDFT. In the present work, analytic NADCs are formulated within this framework. Their accuracy is assessed through comparison with finite-difference results and by evaluating the Berry phase in the vicinity of conical intersections. As an initial application, nonadiabatic molecular dynamics simulations were performed for azomethane and ethylene, showing that the analytic derivative couplings behave reasonably and stably for these systems. Since the additional computational cost of the NADCs is comparable to that of energies and gradients in SF-TDDFT, the method may be suitable for nonadiabatic dynamics simulations of moderately large molecular systems.
Nonadiabatic molecular dynamics is an important tool for investigating chemical reaction mechanisms, particularly in photochemical processes. Its central challenge is to efficiently and accurately obtain, at the electronic-structure level, the energies, nuclear forces (gradients), and nonadiabatic derivative couplings (NADCs) associated with multiple potential-energy surfaces. We have previously developed a noncollinear spin-flip time-dependent density functional theory (SF-TDDFT) based on the multicollinear approach. This method enables the computation of potential-energy surfaces and analytic nuclear gradients for multiple excited states and leads to improved energy degeneracy, spin symmetry, and formal consistency relative to collinear SF-TDDFT. In the present work, analytic NADCs are formulated within this framework. Their accuracy is assessed through comparison with finite-difference results and by evaluating the Berry phase in the vicinity of conical intersections. As an initial application, nonadiabatic molecular dynamics simulations were performed for azomethane and ethylene, showing that the analytic derivative couplings behave reasonably and stably for these systems. Since the additional computational cost of the NADCs is comparable to that of energies and gradients in SF-TDDFT, the method may be suitable for nonadiabatic dynamics simulations of moderately large molecular systems.
Reaction subjects
2026.06.04
Towards stable and accurate electron dynamics via neural network based time-dependent variational Monte Carlo
Real-time dynamics of interacting electrons lies at the interface between quantum mechanics and non-equilibrium physics, governing the microscopic origin of ultrafast phenomena of molecules and nano-materials. Though neural network variational Monte Carlo has achieved unprecedented accuracy for stationary state calculations, its extension to real-time evolution remains challenging. In this work, we introduce the neural basis time-dependent variational Monte Carlo framework, which achieves stable and highly accurate simulations of electron dynamics. By constraining the time evolution to a compact, customized manifold spanned by the neural basis, we effectively bypass instability issues and achieve long-term stable evolution. Moreover, we demonstrate that this framework yields benchmark-quality accuracy in simulating the laser-driven dipole responses of the hydrogen atom and a stretched hydrogen molecule, and accurately extracts the dynamic polarizabilities of helium and beryllium atoms. Our work reveals the vast potential of neural network wavefunctions for accurately describing real-time electron dynamics and establishes a promising new route for first-principles simulations of complex, time-dependent electronic phenomena.
Real-time dynamics of interacting electrons lies at the interface between quantum mechanics and non-equilibrium physics, governing the microscopic origin of ultrafast phenomena of molecules and nano-materials. Though neural network variational Monte Carlo has achieved unprecedented accuracy for stationary state calculations, its extension to real-time evolution remains challenging. In this work, we introduce the neural basis time-dependent variational Monte Carlo framework, which achieves stable and highly accurate simulations of electron dynamics. By constraining the time evolution to a compact, customized manifold spanned by the neural basis, we effectively bypass instability issues and achieve long-term stable evolution. Moreover, we demonstrate that this framework yields benchmark-quality accuracy in simulating the laser-driven dipole responses of the hydrogen atom and a stretched hydrogen molecule, and accurately extracts the dynamic polarizabilities of helium and beryllium atoms. Our work reveals the vast potential of neural network wavefunctions for accurately describing real-time electron dynamics and establishes a promising new route for first-principles simulations of complex, time-dependent electronic phenomena.
Real-time dynamics of interacting electrons lies at the interface between quantum mechanics and non-equilibrium physics, governing the microscopic origin of ultrafast phenomena of molecules and nano-materials. Though neural network variational Monte Carlo has achieved unprecedented accuracy for stationary state calculations, its extension to real-time evolution remains challenging. In this work, we introduce the neural basis time-dependent variational Monte Carlo framework, which achieves stable and highly accurate simulations of electron dynamics. By constraining the time evolution to a compact, customized manifold spanned by the neural basis, we effectively bypass instability issues and achieve long-term stable evolution. Moreover, we demonstrate that this framework yields benchmark-quality accuracy in simulating the laser-driven dipole responses of the hydrogen atom and a stretched hydrogen molecule, and accurately extracts the dynamic polarizabilities of helium and beryllium atoms. Our work reveals the vast potential of neural network wavefunctions for accurately describing real-time electron dynamics and establishes a promising new route for first-principles simulations of complex, time-dependent electronic phenomena.
Computational Physics
2026.06.03
MetaPoint: Unlocking Precise Spatial Control in Agentic Visual Generation
Generative visual models fundamentally struggle with precise spatial control. This arises from a core disconnect: models can process textual descriptions of space but cannot directly map numerical coordinates onto the 2D image canvas. We introduce MetaPoint, a method that bridges this gap by representing a continuous 2D coordinate as a single, special token. Crucially, MetaPoint requires no new architectural components; it directly leverages the model's inherent positional encoding schemes to interpret these coordinates, treating our token as a virtual point on the canvas. This lightweight approach enables pixel-level control of an object's position with one token or its bounding box with two, all without requiring architectural changes or bespoke attention masking. The MetaPoint tokens are designed to be compositional, serving as spatial primitives. This allows a planner agent to decompose a high-level user request into a structured sequence of primitives for the generator. By providing a simple, precise, and scalable building block for spatial control, MetaPoint unlocks more powerful compositional generative agents and enables intuitive, interactive editing systems.
Generative visual models fundamentally struggle with precise spatial control. This arises from a core disconnect: models can process textual descriptions of space but cannot directly map numerical coordinates onto the 2D image canvas. We introduce MetaPoint, a method that bridges this gap by representing a continuous 2D coordinate as a single, special token. Crucially, MetaPoint requires no new architectural components; it directly leverages the model's inherent positional encoding schemes to interpret these coordinates, treating our token as a virtual point on the canvas. This lightweight approach enables pixel-level control of an object's position with one token or its bounding box with two, all without requiring architectural changes or bespoke attention masking. The MetaPoint tokens are designed to be compositional, serving as spatial primitives. This allows a planner agent to decompose a high-level user request into a structured sequence of primitives for the generator. By providing a simple, precise, and scalable building block for spatial control, MetaPoint unlocks more powerful compositional generative agents and enables intuitive, interactive editing systems.
Generative visual models fundamentally struggle with precise spatial control. This arises from a core disconnect: models can process textual descriptions of space but cannot directly map numerical coordinates onto the 2D image canvas. We introduce MetaPoint, a method that bridges this gap by representing a continuous 2D coordinate as a single, special token. Crucially, MetaPoint requires no new architectural components; it directly leverages the model's inherent positional encoding schemes to interpret these coordinates, treating our token as a virtual point on the canvas. This lightweight approach enables pixel-level control of an object's position with one token or its bounding box with two, all without requiring architectural changes or bespoke attention masking. The MetaPoint tokens are designed to be compositional, serving as spatial primitives. This allows a planner agent to decompose a high-level user request into a structured sequence of primitives for the generator. By providing a simple, precise, and scalable building block for spatial control, MetaPoint unlocks more powerful compositional generative agents and enables intuitive, interactive editing systems.
Computer Vision and Pattern Recognition
2026.05.29
Task-Focused Memorization for Multimodal Agents
Long-term memory is essential for multimodal agents to build coherent experience, accumulate world knowledge, and achieve continual learning. However, constructing effective memory goes beyond memory module design and basic requirements such as accuracy and fidelity; the key challenge lies in determining what to memorize. Multimodal agents, such as embodied agents, continuously perceive, reason, and act in real or virtual environments, receiving an unbounded stream of multimodal observations. From this combinatorial explosion of information, an agent must selectively retain content that is relevant to its role in the environment and valuable for future tasks. To bridge this gap, we frame memory generation as a learnable memorization policy and introduce TaskMem (Task-focused Memorization Policy Learning), a reinforcement-learning-based framework that enables the policy to dynamically adjust its focus to the demands of real tasks encountered in the environment. TaskMem adopts a two-phase training paradigm: Phase One learns how to memorize by optimizing memory quality under fundamental fidelity requirements; Phase Two occurs after deployment, where the agent learns what to memorize by tuning an adapter on its base MLLM, using recent environment tasks to define a reward model that guides the memorization policy toward task-relevant content. To evaluate our approach, we reformulate VideoMME, EgoLife, and EgoTempo into streaming benchmarks that simulate a realistic setting in which an agent processes streaming observations and handles tasks arriving online. To isolate memory assessment, the questions must be answered using only the agent's memory, without access to raw video. Built on Qwen3-VL-30B-A3B, TaskMem improves VQA accuracy by 6.3%, 7.0%, and 5.3% on these benchmarks, respectively.
Long-term memory is essential for multimodal agents to build coherent experience, accumulate world knowledge, and achieve continual learning. However, constructing effective memory goes beyond memory module design and basic requirements such as accuracy and fidelity; the key challenge lies in determining what to memorize. Multimodal agents, such as embodied agents, continuously perceive, reason, and act in real or virtual environments, receiving an unbounded stream of multimodal observations. From this combinatorial explosion of information, an agent must selectively retain content that is relevant to its role in the environment and valuable for future tasks. To bridge this gap, we frame memory generation as a learnable memorization policy and introduce TaskMem (Task-focused Memorization Policy Learning), a reinforcement-learning-based framework that enables the policy to dynamically adjust its focus to the demands of real tasks encountered in the environment. TaskMem adopts a two-phase training paradigm: Phase One learns how to memorize by optimizing memory quality under fundamental fidelity requirements; Phase Two occurs after deployment, where the agent learns what to memorize by tuning an adapter on its base MLLM, using recent environment tasks to define a reward model that guides the memorization policy toward task-relevant content. To evaluate our approach, we reformulate VideoMME, EgoLife, and EgoTempo into streaming benchmarks that simulate a realistic setting in which an agent processes streaming observations and handles tasks arriving online. To isolate memory assessment, the questions must be answered using only the agent's memory, without access to raw video. Built on Qwen3-VL-30B-A3B, TaskMem improves VQA accuracy by 6.3%, 7.0%, and 5.3% on these benchmarks, respectively.
Long-term memory is essential for multimodal agents to build coherent experience, accumulate world knowledge, and achieve continual learning. However, constructing effective memory goes beyond memory module design and basic requirements such as accuracy and fidelity; the key challenge lies in determining what to memorize. Multimodal agents, such as embodied agents, continuously perceive, reason, and act in real or virtual environments, receiving an unbounded stream of multimodal observations. From this combinatorial explosion of information, an agent must selectively retain content that is relevant to its role in the environment and valuable for future tasks. To bridge this gap, we frame memory generation as a learnable memorization policy and introduce TaskMem (Task-focused Memorization Policy Learning), a reinforcement-learning-based framework that enables the policy to dynamically adjust its focus to the demands of real tasks encountered in the environment. TaskMem adopts a two-phase training paradigm: Phase One learns how to memorize by optimizing memory quality under fundamental fidelity requirements; Phase Two occurs after deployment, where the agent learns what to memorize by tuning an adapter on its base MLLM, using recent environment tasks to define a reward model that guides the memorization policy toward task-relevant content. To evaluate our approach, we reformulate VideoMME, EgoLife, and EgoTempo into streaming benchmarks that simulate a realistic setting in which an agent processes streaming observations and handles tasks arriving online. To isolate memory assessment, the questions must be answered using only the agent's memory, without access to raw video. Built on Qwen3-VL-30B-A3B, TaskMem improves VQA accuracy by 6.3%, 7.0%, and 5.3% on these benchmarks, respectively.
Computer Vision and Pattern Recognition
2026.05.26
More Expressive Feedforward Layers: Part I. Token-Adaptive Mixing of Activations
Feedforward network (FFN) layers account for a large fraction of parameters and nonlinear expressivity in Transformer-based large language models (LLMs). Despite the evolution from ReLU and GELU to gated variants such as SwiGLU, most FFN designs still use a single fixed activation function, applying the same nonlinear transformation to all tokens. In this work, we propose Mixture of Activations (MoA), a token-adaptive FFN design that mixes a dictionary of activation functions using lightweight input-dependent gates while sharing the same linear projections. As an input-independent counterpart, we also introduce learnable activations (LA), which form linear combinations of activation functions for both ReLU-type and SwiGLU-type FFNs. Theoretically, we establish strict finite-width expressive separations among fixed-activation FFNs, LA, and MoA: LA strictly contains fixed-activation FFNs, while MoA strictly contains LA, with the additional expressivity arising from input-dependent nonlinear hybridization. Empirically, we evaluate MoA through extensive pre-training experiments on dense and MoE language models ranging from 0.12B to 2B parameters under different token budgets, optimizers, and learning rate schedules. MoA consistently achieves lower terminal loss and exhibits more favorable scaling behavior than well-tuned baselines, with minimal parameter and computational overhead. These results suggest that token-adaptive activation mixing is a simple and effective mechanism for improving FFN expressivity in LLMs.
Feedforward network (FFN) layers account for a large fraction of parameters and nonlinear expressivity in Transformer-based large language models (LLMs). Despite the evolution from ReLU and GELU to gated variants such as SwiGLU, most FFN designs still use a single fixed activation function, applying the same nonlinear transformation to all tokens. In this work, we propose Mixture of Activations (MoA), a token-adaptive FFN design that mixes a dictionary of activation functions using lightweight input-dependent gates while sharing the same linear projections. As an input-independent counterpart, we also introduce learnable activations (LA), which form linear combinations of activation functions for both ReLU-type and SwiGLU-type FFNs. Theoretically, we establish strict finite-width expressive separations among fixed-activation FFNs, LA, and MoA: LA strictly contains fixed-activation FFNs, while MoA strictly contains LA, with the additional expressivity arising from input-dependent nonlinear hybridization. Empirically, we evaluate MoA through extensive pre-training experiments on dense and MoE language models ranging from 0.12B to 2B parameters under different token budgets, optimizers, and learning rate schedules. MoA consistently achieves lower terminal loss and exhibits more favorable scaling behavior than well-tuned baselines, with minimal parameter and computational overhead. These results suggest that token-adaptive activation mixing is a simple and effective mechanism for improving FFN expressivity in LLMs.
Feedforward network (FFN) layers account for a large fraction of parameters and nonlinear expressivity in Transformer-based large language models (LLMs). Despite the evolution from ReLU and GELU to gated variants such as SwiGLU, most FFN designs still use a single fixed activation function, applying the same nonlinear transformation to all tokens. In this work, we propose Mixture of Activations (MoA), a token-adaptive FFN design that mixes a dictionary of activation functions using lightweight input-dependent gates while sharing the same linear projections. As an input-independent counterpart, we also introduce learnable activations (LA), which form linear combinations of activation functions for both ReLU-type and SwiGLU-type FFNs. Theoretically, we establish strict finite-width expressive separations among fixed-activation FFNs, LA, and MoA: LA strictly contains fixed-activation FFNs, while MoA strictly contains LA, with the additional expressivity arising from input-dependent nonlinear hybridization. Empirically, we evaluate MoA through extensive pre-training experiments on dense and MoE language models ranging from 0.12B to 2B parameters under different token budgets, optimizers, and learning rate schedules. MoA consistently achieves lower terminal loss and exhibits more favorable scaling behavior than well-tuned baselines, with minimal parameter and computational overhead. These results suggest that token-adaptive activation mixing is a simple and effective mechanism for improving FFN expressivity in LLMs.
Machine Learning
2026.05.26
Negligible in Size, Significant in Effect: On Scale Vectors in Large Language Models
Normalization layers in modern large language models (LLMs) consist of a deterministic normalization operation and a learnable scale vector. While the normalization operation has been extensively studied, the scale vector remains poorly understood despite its ubiquitous use. In this work, we present a systematic study of scale vectors in LLMs from the perspectives of expressivity, optimization, and architectural structure. First, we show empirically that although scale vectors constitute only a negligible fraction of model parameters, removing them substantially degrades LLM pre-training. Our theory further shows that, in Pre-Norm architectures, scale vectors do not increase expressivity; instead, they improve optimization through a self-amplifying preconditioning effect on subsequent linear mappings. Second, we investigate the role of weight decay for scale vectors. By distinguishing Input-Norm and Output-Norm layers, we theoretically show that weight decay is beneficial for the former but harmful for the latter, due to their distinct roles in optimization and expressivity. Third, motivated by this understanding, we propose three lightweight and complementary improvements to scale vectors: branch-specific heterogeneity, improved placement around linear mappings, and magnitude-direction reparameterization. Both theory and experiments show that each improvement yields consistent gains. Finally, we combine these improvements into a unified scale-vector strategy and evaluate it through extensive LLM pre-training experiments on dense and mixture-of-experts models ranging from 0.12B to 2B parameters, across multiple optimizers and learning rate schedules, under industrial-scale token budgets. The unified strategy consistently achieves lower terminal loss than well-tuned baselines and exhibits more favorable scaling behavior, while adding negligible parameter and computational overhead.
Normalization layers in modern large language models (LLMs) consist of a deterministic normalization operation and a learnable scale vector. While the normalization operation has been extensively studied, the scale vector remains poorly understood despite its ubiquitous use. In this work, we present a systematic study of scale vectors in LLMs from the perspectives of expressivity, optimization, and architectural structure. First, we show empirically that although scale vectors constitute only a negligible fraction of model parameters, removing them substantially degrades LLM pre-training. Our theory further shows that, in Pre-Norm architectures, scale vectors do not increase expressivity; instead, they improve optimization through a self-amplifying preconditioning effect on subsequent linear mappings. Second, we investigate the role of weight decay for scale vectors. By distinguishing Input-Norm and Output-Norm layers, we theoretically show that weight decay is beneficial for the former but harmful for the latter, due to their distinct roles in optimization and expressivity. Third, motivated by this understanding, we propose three lightweight and complementary improvements to scale vectors: branch-specific heterogeneity, improved placement around linear mappings, and magnitude-direction reparameterization. Both theory and experiments show that each improvement yields consistent gains. Finally, we combine these improvements into a unified scale-vector strategy and evaluate it through extensive LLM pre-training experiments on dense and mixture-of-experts models ranging from 0.12B to 2B parameters, across multiple optimizers and learning rate schedules, under industrial-scale token budgets. The unified strategy consistently achieves lower terminal loss than well-tuned baselines and exhibits more favorable scaling behavior, while adding negligible parameter and computational overhead.
Normalization layers in modern large language models (LLMs) consist of a deterministic normalization operation and a learnable scale vector. While the normalization operation has been extensively studied, the scale vector remains poorly understood despite its ubiquitous use. In this work, we present a systematic study of scale vectors in LLMs from the perspectives of expressivity, optimization, and architectural structure. First, we show empirically that although scale vectors constitute only a negligible fraction of model parameters, removing them substantially degrades LLM pre-training. Our theory further shows that, in Pre-Norm architectures, scale vectors do not increase expressivity; instead, they improve optimization through a self-amplifying preconditioning effect on subsequent linear mappings. Second, we investigate the role of weight decay for scale vectors. By distinguishing Input-Norm and Output-Norm layers, we theoretically show that weight decay is beneficial for the former but harmful for the latter, due to their distinct roles in optimization and expressivity. Third, motivated by this understanding, we propose three lightweight and complementary improvements to scale vectors: branch-specific heterogeneity, improved placement around linear mappings, and magnitude-direction reparameterization. Both theory and experiments show that each improvement yields consistent gains. Finally, we combine these improvements into a unified scale-vector strategy and evaluate it through extensive LLM pre-training experiments on dense and mixture-of-experts models ranging from 0.12B to 2B parameters, across multiple optimizers and learning rate schedules, under industrial-scale token budgets. The unified strategy consistently achieves lower terminal loss than well-tuned baselines and exhibits more favorable scaling behavior, while adding negligible parameter and computational overhead.
Machine Learning
2026.05.16
Charon: A Unified and Fine-Grained Simulator for Large-Scale LLM Training and Inference
Deploying large-scale LLM training and inference with optimal performance is exceptionally challenging due to a complex design space of parallelism strategies, system optimizations, and hardware configurations. Accurate and rapid performance simulation is critical for guiding optimization efforts and system studies by validating "what-if" Hooker Figure hypotheses. To address this, we introduce Charon, a unified, modular, and fine-grained simulator for accurately predicting LLM performance. Experiments show Charon achieves high accuracy across different models and configurations, with an overall prediction error consistently under 5.35%, and even under 3.74% for training with a large-scale GPU cluster. In a practical inference deployment case, Charon discovered a configuration that improved system throughput over an engineering-tuned baseline, demonstrating its significant real-world value.
Deploying large-scale LLM training and inference with optimal performance is exceptionally challenging due to a complex design space of parallelism strategies, system optimizations, and hardware configurations. Accurate and rapid performance simulation is critical for guiding optimization efforts and system studies by validating "what-if" Hooker Figure hypotheses. To address this, we introduce Charon, a unified, modular, and fine-grained simulator for accurately predicting LLM performance. Experiments show Charon achieves high accuracy across different models and configurations, with an overall prediction error consistently under 5.35%, and even under 3.74% for training with a large-scale GPU cluster. In a practical inference deployment case, Charon discovered a configuration that improved system throughput over an engineering-tuned baseline, demonstrating its significant real-world value.
Deploying large-scale LLM training and inference with optimal performance is exceptionally challenging due to a complex design space of parallelism strategies, system optimizations, and hardware configurations. Accurate and rapid performance simulation is critical for guiding optimization efforts and system studies by validating "what-if" Hooker Figure hypotheses. To address this, we introduce Charon, a unified, modular, and fine-grained simulator for accurately predicting LLM performance. Experiments show Charon achieves high accuracy across different models and configurations, with an overall prediction error consistently under 5.35%, and even under 3.74% for training with a large-scale GPU cluster. In a practical inference deployment case, Charon discovered a configuration that improved system throughput over an engineering-tuned baseline, demonstrating its significant real-world value.
Distributed, Parallel, and Cluster Computing
2026.05.15
UAM: A Dual-Stream Perspective on Forgetting in VLA Training
Vision--language--action (VLA) models are typically built by fine-tuning a pretrained vision--language model (VLM) on action data. However, we show that this standard recipe systematically erodes the VLM's multimodal competence, a side effect we call the embodiment tax. But do VLAs have to forget? Inspired by the two-stream organization of biological vision, we trace this degradation to a structural bottleneck: current VLAs ask a single encoder to support both language-grounded semantics and control-relevant visual features, whereas biological vision separates recognition and visuomotor control into distinct pathways. Building on this view, we propose the Unified Action Model (UAM), which adds a parallel Dorsal Expert, an analog of the brain's dorsal pathway. To make the Dorsal Expert an effective second pathway and reduce the control-learning burden on the VLM, we initialize it from a pretrained generative model and train it with a mid-level reasoning objective that predicts visual dynamics. This design allows us to train the whole VLA end-to-end on action data alone: with no parameter freezing, no gradient stopping, and no auxiliary VL co-training, UAM retains over 95% of the underlying VLM's multimodal capability and at the same time achieves the highest average success rate among baselines on a variety of manipulation tasks that probe out-of-distribution generalization, including unseen objects, novel object--target compositions, and instruction variation. Together, these results suggest that semantic preservation in VLAs can emerge from architectural separation itself, rather than being enforced by frozen weights or auxiliary data replay, and that this preserved semantic capability can naturally transfer from VLMs to semantic generalization in actions.
Vision--language--action (VLA) models are typically built by fine-tuning a pretrained vision--language model (VLM) on action data. However, we show that this standard recipe systematically erodes the VLM's multimodal competence, a side effect we call the embodiment tax. But do VLAs have to forget? Inspired by the two-stream organization of biological vision, we trace this degradation to a structural bottleneck: current VLAs ask a single encoder to support both language-grounded semantics and control-relevant visual features, whereas biological vision separates recognition and visuomotor control into distinct pathways. Building on this view, we propose the Unified Action Model (UAM), which adds a parallel Dorsal Expert, an analog of the brain's dorsal pathway. To make the Dorsal Expert an effective second pathway and reduce the control-learning burden on the VLM, we initialize it from a pretrained generative model and train it with a mid-level reasoning objective that predicts visual dynamics. This design allows us to train the whole VLA end-to-end on action data alone: with no parameter freezing, no gradient stopping, and no auxiliary VL co-training, UAM retains over 95% of the underlying VLM's multimodal capability and at the same time achieves the highest average success rate among baselines on a variety of manipulation tasks that probe out-of-distribution generalization, including unseen objects, novel object--target compositions, and instruction variation. Together, these results suggest that semantic preservation in VLAs can emerge from architectural separation itself, rather than being enforced by frozen weights or auxiliary data replay, and that this preserved semantic capability can naturally transfer from VLMs to semantic generalization in actions.
Vision--language--action (VLA) models are typically built by fine-tuning a pretrained vision--language model (VLM) on action data. However, we show that this standard recipe systematically erodes the VLM's multimodal competence, a side effect we call the embodiment tax. But do VLAs have to forget? Inspired by the two-stream organization of biological vision, we trace this degradation to a structural bottleneck: current VLAs ask a single encoder to support both language-grounded semantics and control-relevant visual features, whereas biological vision separates recognition and visuomotor control into distinct pathways. Building on this view, we propose the Unified Action Model (UAM), which adds a parallel Dorsal Expert, an analog of the brain's dorsal pathway. To make the Dorsal Expert an effective second pathway and reduce the control-learning burden on the VLM, we initialize it from a pretrained generative model and train it with a mid-level reasoning objective that predicts visual dynamics. This design allows us to train the whole VLA end-to-end on action data alone: with no parameter freezing, no gradient stopping, and no auxiliary VL co-training, UAM retains over 95% of the underlying VLM's multimodal capability and at the same time achieves the highest average success rate among baselines on a variety of manipulation tasks that probe out-of-distribution generalization, including unseen objects, novel object--target compositions, and instruction variation. Together, these results suggest that semantic preservation in VLAs can emerge from architectural separation itself, rather than being enforced by frozen weights or auxiliary data replay, and that this preserved semantic capability can naturally transfer from VLMs to semantic generalization in actions.
Computer Vision and Pattern Recognition
2026.05.14
Hand-in-the-Loop: Improving VLA Policies for Dexterous Manipulation via Seamless Hand-Arm Intervention
Vision-Language-Action (VLA) models are prone to compounding errors in dexterous manipulation, where high-dimensional action spaces and contact-rich dynamics amplify small policy deviations over long horizons. While Interactive Imitation Learning (IIL) can refine policies through human correction data, applying it to high-degree-of-freedom (DoF) robotic hands remains challenging due to a command mismatch between human teleoperation and policy execution at the intervention moment, which causes abrupt robot-hand configuration changes, or "gesture jumps". We present Hand-in-the-Loop (HandITL), a seamless human-in-the-loop intervention method that blends human corrective intent with autonomous policy execution to avoid gesture jumps during bimanual dexterous manipulation. Compared with taking over control using direct teleoperation, HandITL reduces intervention jitter by 99.8% and preserves robust post-intervention manipulation, reducing grasp failures by 87.5% and mean completion time by 19.1%. We validate HandITL on tasks requiring bimanual coordination, tool use, and fine-grained long-horizon manipulation. When used to collect correction data for policy refinement, HandITL yields policies that outperform those trained with standard teleoperation data by 19% on average across three long-horizon dexterous tasks.
Vision-Language-Action (VLA) models are prone to compounding errors in dexterous manipulation, where high-dimensional action spaces and contact-rich dynamics amplify small policy deviations over long horizons. While Interactive Imitation Learning (IIL) can refine policies through human correction data, applying it to high-degree-of-freedom (DoF) robotic hands remains challenging due to a command mismatch between human teleoperation and policy execution at the intervention moment, which causes abrupt robot-hand configuration changes, or "gesture jumps". We present Hand-in-the-Loop (HandITL), a seamless human-in-the-loop intervention method that blends human corrective intent with autonomous policy execution to avoid gesture jumps during bimanual dexterous manipulation. Compared with taking over control using direct teleoperation, HandITL reduces intervention jitter by 99.8% and preserves robust post-intervention manipulation, reducing grasp failures by 87.5% and mean completion time by 19.1%. We validate HandITL on tasks requiring bimanual coordination, tool use, and fine-grained long-horizon manipulation. When used to collect correction data for policy refinement, HandITL yields policies that outperform those trained with standard teleoperation data by 19% on average across three long-horizon dexterous tasks.
Vision-Language-Action (VLA) models are prone to compounding errors in dexterous manipulation, where high-dimensional action spaces and contact-rich dynamics amplify small policy deviations over long horizons. While Interactive Imitation Learning (IIL) can refine policies through human correction data, applying it to high-degree-of-freedom (DoF) robotic hands remains challenging due to a command mismatch between human teleoperation and policy execution at the intervention moment, which causes abrupt robot-hand configuration changes, or "gesture jumps". We present Hand-in-the-Loop (HandITL), a seamless human-in-the-loop intervention method that blends human corrective intent with autonomous policy execution to avoid gesture jumps during bimanual dexterous manipulation. Compared with taking over control using direct teleoperation, HandITL reduces intervention jitter by 99.8% and preserves robust post-intervention manipulation, reducing grasp failures by 87.5% and mean completion time by 19.1%. We validate HandITL on tasks requiring bimanual coordination, tool use, and fine-grained long-horizon manipulation. When used to collect correction data for policy refinement, HandITL yields policies that outperform those trained with standard teleoperation data by 19% on average across three long-horizon dexterous tasks.
Robotics
2026.05.14
THEMol dataset: Torsion, Hessian, and Energy of Molecules
We present THEMol (Torsion, Hessian, Energy of Molecules), a massive open-source collection of quantum mechanical properties tailored for closed-shell organic molecules, with up to 50 heavy atoms. THEMol includes a Hessian subset with more than 3 million relaxed geometries with Hessian matrices, a TorsionScan subset with nearly 100 million constrained relaxed geometries with energies and forces, and relaxation-trajectory subsets (HessianRelax and TorsionScanRelax) that together comprise about 3 billion DFT calculations. The chemical space sampling is comprehensive, spanning twelve essential elements and diverse molecular architectures relevant to drug discovery, electrolytes, ionic liquids, and beyond. The dataset also features exhaustive conformational sampling through the TorsionScan and TorsionScanRelax subsets, including comprehensive in-ring and non-ring torsional scans. Furthermore, it contains an extensive library of Hessian matrices, computed at relaxed geometries, to capture critical second-derivative information of the potential energy landscape. Additionally, we supply electron density-derived atomic multipoles computed via the Minimal Basis Iterative Stockholder partition scheme. Organized into five distinct subsets (Hessian, TorsionScan, HessianRelax, TorsionScanRelax, and MBIS), the data encompasses optimized geometries, relaxation trajectories, and derived molecular properties. We anticipate that this massive and diverse dataset will significantly empower the development of highly accurate and transferable molecular potentials.
We present THEMol (Torsion, Hessian, Energy of Molecules), a massive open-source collection of quantum mechanical properties tailored for closed-shell organic molecules, with up to 50 heavy atoms. THEMol includes a Hessian subset with more than 3 million relaxed geometries with Hessian matrices, a TorsionScan subset with nearly 100 million constrained relaxed geometries with energies and forces, and relaxation-trajectory subsets (HessianRelax and TorsionScanRelax) that together comprise about 3 billion DFT calculations. The chemical space sampling is comprehensive, spanning twelve essential elements and diverse molecular architectures relevant to drug discovery, electrolytes, ionic liquids, and beyond. The dataset also features exhaustive conformational sampling through the TorsionScan and TorsionScanRelax subsets, including comprehensive in-ring and non-ring torsional scans. Furthermore, it contains an extensive library of Hessian matrices, computed at relaxed geometries, to capture critical second-derivative information of the potential energy landscape. Additionally, we supply electron density-derived atomic multipoles computed via the Minimal Basis Iterative Stockholder partition scheme. Organized into five distinct subsets (Hessian, TorsionScan, HessianRelax, TorsionScanRelax, and MBIS), the data encompasses optimized geometries, relaxation trajectories, and derived molecular properties. We anticipate that this massive and diverse dataset will significantly empower the development of highly accurate and transferable molecular potentials.
We present THEMol (Torsion, Hessian, Energy of Molecules), a massive open-source collection of quantum mechanical properties tailored for closed-shell organic molecules, with up to 50 heavy atoms. THEMol includes a Hessian subset with more than 3 million relaxed geometries with Hessian matrices, a TorsionScan subset with nearly 100 million constrained relaxed geometries with energies and forces, and relaxation-trajectory subsets (HessianRelax and TorsionScanRelax) that together comprise about 3 billion DFT calculations. The chemical space sampling is comprehensive, spanning twelve essential elements and diverse molecular architectures relevant to drug discovery, electrolytes, ionic liquids, and beyond. The dataset also features exhaustive conformational sampling through the TorsionScan and TorsionScanRelax subsets, including comprehensive in-ring and non-ring torsional scans. Furthermore, it contains an extensive library of Hessian matrices, computed at relaxed geometries, to capture critical second-derivative information of the potential energy landscape. Additionally, we supply electron density-derived atomic multipoles computed via the Minimal Basis Iterative Stockholder partition scheme. Organized into five distinct subsets (Hessian, TorsionScan, HessianRelax, TorsionScanRelax, and MBIS), the data encompasses optimized geometries, relaxation trajectories, and derived molecular properties. We anticipate that this massive and diverse dataset will significantly empower the development of highly accurate and transferable molecular potentials.
Chemical Physics
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